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CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024341194	0	47	0.0	-70.45	377.80	2.64	-67.81
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024341206	0	44	0.0	-62.24	338.16	2.11	-60.13
C[NH+](C)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024341211	0	44	0.0	-65.96	330.89	1.86	-64.10
COC1=CC=C(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+]2CCCC2)C=C1	REAL300024341212	0	49	0.0	-68.92	399.72	3.23	-65.69
O=C(CSC1=NNC(=O)[N-]1)NCC1([NH+]2CCCCC2)CCCCC1	REAL300024341213	0	51	0.0	-63.85	369.38	4.39	-59.46
COC1=CC=C(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+](C)C)C=C1	REAL300024341214	0	45	0.0	-71.86	372.78	2.02	-69.84
COC1=CC=CC(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+]2CCCC2)=C1	REAL300024341219	0	49	0.0	-66.03	396.34	3.78	-62.25
C[NH+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1Cl	REAL300024341220	1	41	0.0	-66.76	352.56	3.47	-63.29
COC1=CC=CC=C1C(CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCC1	REAL300024341230	0	49	0.0	-62.65	393.31	3.62	-59.03
CC1CC[NH+](C(CNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CS2)CC1	REAL300024341231	0	48	0.0	-64.83	398.37	4.35	-60.48
O=C(CSC1=NNC(=O)[N-]1)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300024341271	1	42	0.0	-65.07	347.34	2.07	-63.00
CC1=CC=CC=C1C[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024341276	1	45	0.0	-69.80	363.19	5.10	-64.70
O=C(CSC1=NNC(=O)[N-]1)NCCC[NH+]1CCOCC1	REAL300024341331	1	39	0.0	-71.71	326.39	-0.63	-72.34
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300024341343	0	45	0.0	-69.61	371.68	3.95	-65.66
O=C(CSC1=NNC(=O)[N-]1)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300024341357	0	45	0.0	-66.59	370.58	4.13	-62.46
C[NH+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CS1	REAL300024341363	0	38	0.0	-66.48	335.84	1.84	-64.64
O=C(CSC1=NNC(=O)[N-]1)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300024341382	1	45	0.0	-64.86	364.07	2.78	-62.08
C[NH+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CO1	REAL300024341383	1	38	0.0	-67.84	321.91	0.91	-66.93
O=C(CSC1=NNC(=O)[N-]1)NCC1([NH+]2CCOCC2)CCCCC1	REAL300024341387	1	49	0.0	-65.18	363.83	1.24	-63.94
COC1=CC=C(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+]2CCCCC2)C=C1	REAL300024341389	0	52	0.0	-67.35	413.29	4.79	-62.56
C[NH+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024341443	0	41	0.0	-69.08	343.75	2.74	-66.34
CC[NH+]1CCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C(C)=C2)CC1	REAL300024341470	0	50	0.0	-69.89	395.53	3.32	-66.57
CC[NH+]1CCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024341476	0	47	0.0	-70.60	377.24	2.45	-68.15
C[NH+](C)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1	REAL300024341483	0	47	0.0	-66.32	340.29	2.63	-63.69
C[N@H+](CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024341500	0	47	0.0	-69.43	369.54	2.94	-66.49
C[N@@H+](CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024341500	1	47	0.0	-69.43	369.53	2.95	-66.48
CC1CCCC[N@@H+]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024341507	0	44	0.0	-66.84	351.78	2.27	-64.57
CC1CCCC[N@H+]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024341507	1	44	0.0	-67.40	345.08	1.96	-65.44
C[NH+](C)CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024341509	0	41	0.0	-71.02	352.31	2.76	-68.26
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1	REAL300024341524	1	48	0.0	-72.52	389.10	6.65	-65.87
CC1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024341533	0	44	0.0	-69.47	355.51	2.37	-67.10
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300024341538	0	38	0.0	-67.26	318.69	0.68	-66.58
C[NH+]1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024341552	0	43	0.0	-68.78	351.99	-0.66	-69.44
CN1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024341552	1	43	0.0	-69.87	351.60	-0.77	-70.64
C[NH+](C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024341580	0	41	0.0	-60.70	343.57	3.32	-57.38
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC[NH+]2CCCC2)CC1	REAL300024341587	0	47	0.0	-68.52	369.45	1.78	-66.74
CC(C)[NH+](CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024341608	0	43	0.0	-63.87	333.33	1.12	-62.75
C[NH+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024341609	0	44	0.0	-66.86	356.44	4.09	-62.77
C[NH+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(F)=C1	REAL300024341610	0	41	0.0	-73.51	350.02	2.82	-70.69
COC1=CC=CC(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+](C)C)=C1	REAL300024341611	0	45	0.0	-70.75	373.11	2.05	-68.70
CCC1=CC=C(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+](C)C)C=C1	REAL300024341612	0	47	0.0	-68.56	386.19	4.17	-64.39
O=C(CSC1=NNC(=O)[N-]1)NCCC[NH+]1CCCCCC1	REAL300024341613	0	44	0.0	-69.96	345.14	1.99	-67.97
O=C(CSC1=NNC(=O)[N-]1)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300024341614	0	50	0.0	-70.45	407.14	2.15	-68.30
O=C(CSC1=NNC(=O)[N-]1)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300024341615	0	45	0.0	-65.59	370.24	3.95	-61.64
O=C(CSC1=NNC(=O)[N-]1)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300024341616	0	42	0.0	-64.91	352.89	2.56	-62.35
CC(C)C[N@@H+]1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024341619	0	45	0.0	-67.09	357.93	0.80	-66.29
CC(C)C[N@H+]1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024341619	1	45	0.0	-69.72	364.66	0.89	-68.83
C[N@H+](CCCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024341622	0	44	0.0	-72.32	370.14	3.49	-68.83
C[N@@H+](CCCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024341622	1	44	0.0	-72.35	370.19	3.49	-68.86
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300024341627	0	48	0.0	-69.71	393.87	4.62	-65.09
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024341639	0	47	0.0	-60.49	377.23	4.04	-56.45
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300024341655	0	45	0.0	-76.04	388.34	4.47	-71.57
CC[NH+](CC)CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024341661	0	47	0.0	-68.75	382.20	3.79	-64.96
CC[NH+]1CCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C)CC1	REAL300024341694	0	50	0.0	-71.16	401.77	3.88	-67.28
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300024341695	0	45	0.0	-61.35	371.33	4.11	-57.24
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300024341706	0	42	0.0	-71.73	355.62	3.34	-68.39
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300024341706	1	42	0.0	-71.60	355.45	3.32	-68.28
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300024341748	0	45	0.0	-67.35	360.85	5.68	-61.67
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300024341748	1	45	0.0	-67.54	360.93	5.65	-61.89
O=C(CSC1=NNC(=O)[N-]1)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300024341752	1	45	0.0	-63.47	378.77	4.66	-58.81
N#CC1=CC=C(C[N@H+]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024341753	1	46	0.0	-78.64	381.71	6.07	-72.57
N#CC1=CC=C(C[N@@H+]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024341753	1	46	0.0	-78.64	381.79	6.09	-72.55
C[NH+]1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024341771	0	40	0.0	-68.25	330.49	-1.44	-69.69
CC[NH+](CC)C(CNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024341774	0	50	0.0	-63.12	383.13	4.11	-59.01
COC1=CC=C(C[NH+](C)C)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024341777	0	42	0.0	-64.08	354.21	2.07	-62.01
O=C(CSC1=NNC(=O)[N-]1)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300024341782	0	53	0.0	-70.94	428.25	2.86	-68.08
O=C(CSC1=NNC(=O)[N-]1)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300024341782	1	53	0.0	-72.34	428.27	2.90	-69.44
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300024341812	1	45	0.0	-73.76	369.63	5.31	-68.45
C[NH+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024341831	0	42	0.0	-73.77	342.96	1.40	-72.37
CC1C[NH+](C(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC(C)O1	REAL300024341838	1	48	0.0	-63.86	364.75	1.16	-62.70
CCC(CC)C(CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCOCC1	REAL300024341869	1	51	0.0	-61.08	371.87	2.14	-58.94
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N@@H+]2CCC3=CC=CC=C3C2)CC1	REAL300024341878	0	49	0.0	-72.83	384.67	6.03	-66.80
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N@H+]2CCC3=CC=CC=C3C2)CC1	REAL300024341878	1	49	0.0	-72.76	384.70	6.05	-66.71
CC1=CC=CC(N2CC[NH+](CCCNC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024341885	0	53	0.0	-74.60	425.33	3.37	-71.23
C[NH+](C)CC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024341890	0	38	0.0	-72.87	326.51	2.63	-70.24
CC1C[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC(C)O1	REAL300024341900	0	45	0.0	-72.20	368.27	0.83	-71.37
CC[NH+](CC)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024341943	0	47	0.0	-65.74	365.37	4.25	-61.49
COC1=CC=C(C[N@@H+]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024341960	1	49	0.0	-69.87	390.41	4.99	-64.88
COC1=CC=C(C[N@H+]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024341960	1	49	0.0	-70.83	390.49	4.99	-65.84
CC1=CC=C(C[N@@H+]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024341962	0	48	0.0	-67.34	382.28	6.35	-60.99
CC1=CC=C(C[N@H+]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024341962	1	48	0.0	-67.51	382.37	6.35	-61.16
C[NH+]1CCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=N2)CC1	REAL300024341965	0	43	0.0	-69.69	357.87	1.23	-68.46
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)[NH2+]1	REAL300024341967	0	44	0.0	-67.89	346.10	0.44	-67.45
CC[NH+](CC)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1Cl	REAL300024341987	0	47	0.0	-67.39	376.94	4.31	-63.08
CC[NH+](CC)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(OC)=C1	REAL300024341988	0	51	0.0	-67.85	394.86	3.55	-64.30
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300024341989	1	45	0.0	-72.58	367.37	5.77	-66.81
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300024341989	1	45	0.0	-72.86	367.40	5.76	-67.10
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1N1CC[NH+](C)CC1	REAL300024341996	0	47	0.0	-69.51	383.79	3.19	-66.32
C[NH+]1CCN(C2=CC=CC=C2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342001	0	44	0.0	-70.78	362.23	2.41	-68.37
CC(C)[NH+]1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342018	0	44	0.0	-67.40	339.21	3.14	-64.26
C[NH+]1CCN(C2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=N2)CC1	REAL300024342039	0	46	0.0	-71.19	383.84	1.31	-69.88
O=C(CSC1=NNC(=O)[N-]1)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300024342106	1	48	0.0	-75.71	397.98	2.31	-73.40
C[N@H+](CC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024342107	0	51	0.0	-67.42	399.05	5.90	-61.52
C[N@@H+](CC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024342107	1	51	0.0	-66.44	392.37	6.42	-60.02
C[NH+](C)CC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024342156	0	41	0.0	-69.62	352.31	2.75	-66.87
CNC(=O)C[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342164	1	42	0.0	-71.85	350.49	-1.24	-73.09
CC[NH+](CC)CCNC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024342172	0	51	0.0	-71.42	415.26	2.23	-69.19
C[NH+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024342177	0	47	0.0	-68.14	355.70	3.47	-64.67
C[NH+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CSC=C1	REAL300024342200	0	38	0.0	-68.56	334.40	1.69	-66.87
O=C(CSC1=NNC(=O)[N-]1)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300024342263	1	42	0.0	-72.75	351.83	3.14	-69.61
O=C(CSC1=NNC(=O)[N-]1)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300024342263	1	42	0.0	-72.70	351.83	3.14	-69.56
CC[NH+](CC)CCN(CC(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024342277	0	49	0.0	-63.93	382.06	4.84	-59.09
CC1CC[NH+](CC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024342283	0	51	0.0	-70.60	414.76	5.23	-65.37
CC1CCC[N@H+](CC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)C1	REAL300024342286	0	48	0.0	-68.64	388.62	5.09	-63.55
CC1CCC[N@@H+](CC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)C1	REAL300024342286	1	48	0.0	-68.06	388.90	5.09	-62.97
CC[NH+](CC)CC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024342337	0	44	0.0	-70.26	355.69	3.64	-66.62
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](C2CCCC2)CC1	REAL300024342360	0	42	0.0	-67.26	331.86	3.40	-63.86
CN1CC[NH+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342445	0	46	0.0	-69.49	373.10	0.00	-69.49
C[NH+]1CCN(CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342445	1	46	0.0	-68.31	373.49	0.12	-68.19
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300024342449	0	48	0.0	-72.80	393.72	4.78	-68.02
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342467	0	48	0.0	-66.25	376.94	6.35	-59.90
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342467	1	48	0.0	-66.35	376.85	6.33	-60.02
C[NH+](C)CC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024342480	0	41	0.0	-69.62	352.31	2.75	-66.87
O=C(CSC1=NNC(=O)[N-]1)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300024342484	0	50	0.0	-74.50	403.92	2.70	-71.80
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300024342508	0	48	0.0	-68.30	377.66	5.13	-63.17
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300024342508	1	48	0.0	-68.82	377.34	4.12	-64.70
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300024342510	0	45	0.0	-68.06	376.57	3.85	-64.21
CN1CC[N@H+](CCCNC(=O)CSC2=NNC(=O)[N-]2)C(C2=CC=CC=C2)C1	REAL300024342519	0	53	0.0	-70.52	414.61	2.13	-68.39
CN1CC[N@@H+](CCCNC(=O)CSC2=NNC(=O)[N-]2)C(C2=CC=CC=C2)C1	REAL300024342519	1	53	0.0	-69.18	425.62	2.75	-66.43
C[N@@H+]1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)C(C2=CC=CC=C2)C1	REAL300024342519	1	53	0.0	-72.86	427.10	3.08	-69.78
C[N@H+]1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)C(C2=CC=CC=C2)C1	REAL300024342519	1	53	0.0	-72.78	427.03	3.08	-69.70
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300024342533	0	45	0.0	-71.33	368.05	4.49	-66.84
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300024342555	0	42	0.0	-71.01	350.50	3.74	-67.27
O=C(CSC1=NNC(=O)[N-]1)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300024342558	0	45	0.0	-73.61	373.32	3.93	-69.68
O=C(CSC1=NNC(=O)[N-]1)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300024342558	1	45	0.0	-73.61	373.33	3.93	-69.68
CC1C[NH+](CC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC(C)O1	REAL300024342560	0	52	0.0	-72.65	427.19	3.64	-69.01
COCC[N@H+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024342571	0	41	0.0	-68.71	343.77	-0.24	-68.95
COCC[N@@H+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024342571	1	41	0.0	-68.88	343.82	-0.24	-69.12
CC[NH+]1CCN(CC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024342582	0	50	0.0	-67.42	402.57	2.75	-64.67
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342583	0	53	0.0	-58.19	421.74	3.26	-54.93
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342583	1	53	0.0	-60.19	418.62	3.70	-56.49
CCCNC(=O)C[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342587	1	48	0.0	-71.70	393.48	0.37	-71.33
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342590	0	50	0.0	-59.63	404.51	2.62	-57.01
CN1CC[NH+](CC2=CC=CC=C2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342590	1	50	0.0	-60.11	400.50	2.91	-57.20
CC[NH+](CC)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CSC=C1	REAL300024342594	0	44	0.0	-65.11	365.53	2.74	-62.37
CC[NH+]1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342595	0	46	0.0	-67.56	369.23	-0.02	-67.58
CCN1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342595	1	46	0.0	-69.97	369.73	0.02	-69.95
O=C(CSC1=NNC(=O)[N-]1)NCC1([NH+]2CCSCC2)CCCC1	REAL300024342600	0	46	0.0	-65.67	362.28	3.11	-62.56
O=C(CSC1=NNC(=O)[N-]1)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300024342605	1	45	0.0	-67.58	383.57	5.00	-62.58
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(C)CC1	REAL300024342607	0	50	0.0	-63.53	375.60	4.31	-59.22
CC1CCC[N@H+](CC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)C1	REAL300024342620	0	51	0.0	-69.85	414.77	5.21	-64.64
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)C1	REAL300024342620	1	51	0.0	-69.88	414.72	5.21	-64.67
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024342621	0	51	0.0	-61.63	408.40	5.44	-56.19
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024342621	1	51	0.0	-60.80	404.29	6.06	-54.74
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024342622	0	51	0.0	-59.60	397.52	5.03	-54.57
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024342622	1	51	0.0	-58.85	399.44	5.90	-52.95
CC1CC(C)C[NH+](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024342627	0	44	0.0	-67.99	355.33	2.18	-65.81
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(C)C1	REAL300024342631	0	44	0.0	-64.71	339.85	2.55	-62.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCCC(C)C1	REAL300024342631	1	44	0.0	-64.75	345.19	2.22	-62.53
C[NH+]1CCN(C(=O)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024342634	1	49	0.0	-83.34	387.12	2.93	-80.41
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024342638	0	51	0.0	-67.54	410.55	5.10	-62.44
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024342638	1	51	0.0	-67.38	410.55	5.10	-62.28
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024342641	1	49	0.0	-79.30	407.82	2.61	-76.69
CC[NH+](CC)CCOC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024342643	0	51	0.0	-68.07	413.57	3.60	-64.47
C[NH+]1CCN(CC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024342661	0	50	0.0	-69.56	410.93	2.19	-67.37
CN1CC[NH+](CC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024342661	1	50	0.0	-70.57	410.40	2.06	-68.51
CC[NH+]1CCN(CC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024342662	0	53	0.0	-68.38	428.17	2.82	-65.56
CCN1CC[NH+](CC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024342662	1	53	0.0	-70.82	428.53	2.85	-67.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300024342722	1	50	0.0	-70.37	392.48	2.46	-67.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCCC1C	REAL300024342723	0	44	0.0	-62.39	341.03	2.10	-60.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCCCC1C	REAL300024342723	1	44	0.0	-62.85	335.44	2.65	-60.20
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024342734	0	54	0.0	-60.84	426.01	6.62	-54.22
CC[NH+](CC)CCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024342737	0	48	0.0	-69.14	391.26	3.75	-65.39
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024342738	0	48	0.0	-67.80	389.64	3.90	-63.90
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024342739	0	47	0.0	-61.50	380.40	4.16	-57.34
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024342739	1	47	0.0	-59.72	375.98	4.71	-55.01
C[NH+]1CCN(C2=CC(CNC(=O)CSC3=NNC(=O)[N-]3)=CC=N2)CC1	REAL300024342741	0	46	0.0	-69.34	383.89	1.33	-68.01
CC[NH+]1CCN(C2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=N2)CC1	REAL300024342742	0	49	0.0	-69.71	401.08	1.95	-67.76
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)C1	REAL300024342757	0	54	0.0	-70.24	435.55	5.80	-64.44
CC[NH+](CC)CCNC(=O)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024342762	0	51	0.0	-79.38	419.87	2.51	-76.87
CC1CC(C)C[NH+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024342769	0	50	0.0	-69.00	398.29	3.74	-65.26
CC1CC[NH+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342791	0	47	0.0	-69.17	377.01	3.15	-66.02
CC1CC(C)C[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024342795	0	47	0.0	-69.19	376.79	2.97	-66.22
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C[NH+]2CCOCC2)CC1	REAL300024342798	0	46	0.0	-73.38	359.99	2.46	-70.92
O=C(CSC1=NNC(=O)[N-]1)NCCCC[NH+]1CCOCC1	REAL300024342805	0	42	0.0	-71.28	347.89	0.14	-71.14
CC1CCCC[N@@H+]1CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024342815	0	47	0.0	-66.61	373.30	3.04	-63.57
CC1CCCC[N@H+]1CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024342815	1	47	0.0	-67.15	366.55	2.73	-64.42
CC1CCC[N@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024342820	0	47	0.0	-68.59	377.46	3.15	-65.44
CC1CCC[N@@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024342820	1	47	0.0	-68.11	370.73	3.17	-64.94
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024342864	0	48	0.0	-66.56	377.70	4.67	-61.89
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024342864	1	48	0.0	-66.95	377.97	4.68	-62.27
CC1CC[NH+](CC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024342910	0	48	0.0	-69.47	388.94	5.11	-64.36
CC[NH+](CC)CC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024342925	0	47	0.0	-67.39	388.49	4.11	-63.28
C[N@@H+]1CCCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024342933	0	47	0.0	-70.83	372.53	2.79	-68.04
C[N@H+]1CCCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024342933	1	47	0.0	-68.40	377.62	2.68	-65.72
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024342937	0	48	0.0	-71.29	387.64	4.56	-66.73
NC(=O)C1CC[NH+](CC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024342944	0	49	0.0	-84.85	403.99	1.16	-83.69
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024342946	0	45	0.0	-77.93	389.87	5.61	-72.32
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024342947	0	51	0.0	-63.12	416.41	3.92	-59.20
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300024342961	0	44	0.0	-68.29	367.25	2.12	-66.17
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300024342995	1	46	0.0	-71.15	385.21	2.21	-68.94
O=C(CSC1=NNC(=O)[N-]1)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300024343019	0	53	0.0	-74.17	425.42	3.47	-70.70
C[NH+](C)CCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024343026	0	42	0.0	-70.51	356.11	2.41	-68.10
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024343032	0	47	0.0	-70.51	391.46	6.00	-64.51
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300024343056	0	45	0.0	-77.11	378.03	4.01	-73.10
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CC2CC2)CC1	REAL300024343087	0	42	0.0	-68.63	344.30	2.58	-66.05
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300024343125	0	44	0.0	-77.49	366.28	2.12	-75.37
C[NH+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024343138	0	41	0.0	-73.69	349.69	2.79	-70.90
CC(C)(C)[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024343143	0	44	0.0	-64.53	341.93	1.78	-62.75
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300024343152	1	45	0.0	-81.47	384.33	4.07	-77.40
CC1=[NH+]C=CN1CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024343178	1	39	0.0	-63.65	336.56	2.12	-61.53
COC1=CC=CC=C1C(CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024343186	0	52	0.0	-62.50	409.41	4.85	-57.65
CN(C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1)C1CC[NH+](C)CC1	REAL300024343240	0	50	0.0	-71.50	397.41	4.26	-67.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+]1CCCCC1	REAL300024343243	0	44	0.0	-67.67	350.69	2.61	-65.06
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300024343295	0	48	0.0	-70.31	390.34	5.37	-64.94
CC[NH+](CC)CCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024343308	0	46	0.0	-66.06	370.45	3.06	-63.00
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300024343318	1	46	0.0	-73.40	381.61	2.94	-70.46
CC(C)(C)CC[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024343319	0	47	0.0	-70.22	364.50	3.90	-66.32
CN1CCN(C2=CC=[NH+]C=C2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024343348	0	43	0.0	-59.86	358.92	-1.46	-61.32
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024343360	1	46	0.0	-73.10	385.58	0.49	-72.61
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024343360	1	46	0.0	-72.73	380.72	0.05	-72.68
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@H+](CC2CCCCC2)CC1	REAL300024343361	0	51	0.0	-66.90	382.57	6.12	-60.78
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300024343361	1	51	0.0	-66.73	382.88	6.14	-60.59
CC1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)([NH+](C)C)C1	REAL300024343398	0	47	0.0	-66.86	348.18	3.18	-63.68
CC1CC[NH+](C(CNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2)CC1	REAL300024343400	0	51	0.0	-66.51	405.85	5.22	-61.29
C[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024343409	1	49	0.0	-81.57	407.31	3.54	-78.03
CCC[NH+]1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024343411	0	44	0.0	-69.03	347.26	3.57	-65.46
C[N@H+](CC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024343414	0	54	0.0	-63.64	422.04	6.01	-57.63
C[N@@H+](CC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024343414	1	54	0.0	-62.58	417.60	6.57	-56.01
CC1C[N@H+](CC2=CC=CC(CNC(=O)CSC3=NNC(=O)[N-]3)=C2)CCO1	REAL300024343466	1	49	0.0	-70.75	399.67	2.93	-67.82
CC1C[N@@H+](CC2=CC=CC(CNC(=O)CSC3=NNC(=O)[N-]3)=C2)CCO1	REAL300024343466	1	49	0.0	-70.85	406.37	2.95	-67.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300024343488	0	48	0.0	-72.08	391.52	4.66	-67.42
CCOC(=O)CCN(CC1CCC[N@@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024343493	0	53	0.0	-59.19	421.11	6.39	-52.80
CCOC(=O)CCN(CC1CCC[N@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024343493	1	53	0.0	-66.41	414.55	4.76	-61.65
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024343496	0	47	0.0	-67.38	374.01	3.39	-63.99
C[NH+]1CCN(CC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024343535	0	47	0.0	-68.49	384.90	2.07	-66.42
CC(C)[N@H+](C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024343537	0	47	0.0	-69.57	361.56	4.19	-65.38
CC(C)[N@@H+](C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024343537	1	47	0.0	-69.71	361.49	4.19	-65.52
CC(C)CC(C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024343538	0	43	0.0	-61.22	345.78	2.48	-58.74
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(N2CC[NH+](CC3CC3)CC2)=C1	REAL300024343561	0	51	0.0	-73.03	406.60	3.76	-69.27
C[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024343581	0	41	0.0	-71.85	348.64	2.70	-69.15
C[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024343581	1	41	0.0	-71.79	348.70	2.71	-69.08
CC(C[N@@H+]1CCCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024343588	0	44	0.0	-66.87	353.18	2.80	-64.07
CC(C[N@H+]1CCCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024343588	1	44	0.0	-67.25	353.36	2.82	-64.43
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(CC[NH+]2CCCC2)C=C1	REAL300024343607	0	45	0.0	-70.70	373.34	4.54	-66.16
CC1CCC[N@@H+](C(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024343609	0	47	0.0	-62.56	359.08	2.70	-59.86
CC1CCC[N@H+](C(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024343609	1	47	0.0	-62.17	351.91	2.73	-59.44
CC[N@H+](C)CC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024343610	0	44	0.0	-68.80	370.04	3.41	-65.39
CC[N@@H+](C)CC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024343610	1	44	0.0	-68.63	370.03	3.41	-65.22
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](CC2CCOC2)CC1	REAL300024343620	0	43	0.0	-73.74	343.13	1.60	-72.14
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](CCC2=CC=CS2)CC1	REAL300024343644	1	42	0.0	-73.47	359.88	4.41	-69.06
CC1CC(C)C[NH+](C(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024343648	0	50	0.0	-61.94	372.96	3.29	-58.65
C[NH+]1CCN(C(=O)C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024343662	1	46	0.0	-75.22	380.32	2.45	-72.77
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024343674	0	45	0.0	-68.72	371.36	3.99	-64.73
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024343674	1	45	0.0	-68.69	371.46	3.98	-64.71
C[NH+](C)CCN(CC1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024343681	0	50	0.0	-68.72	387.60	5.38	-63.34
C[NH+](C)CCCN(CCC#N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024343685	0	41	0.0	-73.69	352.39	3.48	-70.21
COCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024343687	0	42	0.0	-66.71	345.37	0.22	-66.49
C[NH+]1CCC2(CC1)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1O2	REAL300024343729	0	50	0.0	-72.78	394.53	3.61	-69.17
O=C(CSC1=NNC(=O)[N-]1)N1CCC([NH+]2CCCCC2)CC1	REAL300024343734	0	45	0.0	-68.36	342.89	3.67	-64.69
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@H+](CC2CCCO2)CC1	REAL300024343742	0	46	0.0	-62.85	357.94	3.16	-59.69
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@@H+](CC2CCCO2)CC1	REAL300024343742	1	46	0.0	-62.65	357.92	3.18	-59.47
CC1C[NH+](CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC(C)O1	REAL300024343747	1	49	0.0	-63.91	380.43	3.14	-60.77
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300024343755	0	48	0.0	-66.88	376.88	4.17	-62.71
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300024343755	1	48	0.0	-66.23	376.57	4.30	-61.93
O=C(CSC1=NNC(=O)[N-]1)NCCCCCCC[NH+]1CCCC1	REAL300024343757	0	50	0.0	-67.43	405.44	4.21	-63.22
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](CCCOCC(F)(F)F)CC1	REAL300024343770	1	45	0.0	-76.23	384.37	2.74	-73.49
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024343776	0	44	0.0	-75.38	368.44	5.23	-70.15
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024343782	0	57	0.0	-77.00	435.44	3.56	-73.44
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024343787	0	50	0.0	-71.09	412.96	6.78	-64.31
C[NH+](C)CCC(=O)NC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024343796	0	45	0.0	-76.22	382.24	1.72	-74.50
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024343807	0	45	0.0	-63.84	381.13	2.57	-61.27
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300024343815	0	51	0.0	-70.42	403.23	4.79	-65.63
CC[NH+]1CCN(C2=CC(CNC(=O)CSC3=NNC(=O)[N-]3)=CC=N2)CC1	REAL300024343822	0	49	0.0	-68.37	401.60	2.01	-66.36
CC(C)(C)[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024343882	0	44	0.0	-63.02	332.76	3.50	-59.52
CC(C)(C)[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024343882	1	44	0.0	-63.05	332.81	3.48	-59.57
CC1=CC=C(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+](C)C)C=C1	REAL300024343886	0	44	0.0	-68.55	364.56	3.41	-65.14
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(C)CC1	REAL300024343900	0	44	0.0	-65.57	345.11	2.27	-63.30
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300024343902	0	48	0.0	-67.66	380.60	4.16	-63.50
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300024343902	1	48	0.0	-67.64	380.45	4.16	-63.48
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300024343903	0	48	0.0	-70.65	391.52	4.64	-66.01
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300024343903	1	48	0.0	-69.96	384.59	4.60	-65.36
CC(C)[N@@H+]1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024343909	0	44	0.0	-66.16	349.27	2.24	-63.92
CC(C)[N@H+]1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024343909	1	44	0.0	-66.15	349.29	2.25	-63.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300024343915	0	45	0.0	-68.37	375.01	3.76	-64.61
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300024343915	1	45	0.0	-69.39	375.38	3.77	-65.62
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](CC2CCCCC2)CC1	REAL300024343916	0	48	0.0	-70.36	368.70	4.88	-65.48
CC[NH+](CC)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CO1	REAL300024343924	0	44	0.0	-63.68	358.09	2.22	-61.46
CC1=C(C[NH+]2CCSCC2)C=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024343935	0	46	0.0	-74.50	379.61	5.14	-69.36
C[NH+](C)CCOC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024343944	0	42	0.0	-66.22	356.32	2.41	-63.81
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C[NH+]1CCCC1	REAL300024343956	0	42	0.0	-61.97	337.22	3.41	-58.56
O=C(CSC1=NNC(=O)[N-]1)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300024343962	1	49	0.0	-68.61	399.84	-0.89	-69.50
CCCC[N@@H+]1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024343969	0	47	0.0	-64.99	368.69	3.43	-61.56
CCCC[N@H+]1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024343969	1	47	0.0	-64.98	368.71	3.44	-61.54
CC1=CC(C[NH+]2CCSCC2)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024343971	0	46	0.0	-72.88	385.21	5.13	-67.75
CC1=CC=C(C[NH+]2CCSCC2)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024343972	0	46	0.0	-64.82	385.21	5.13	-59.69
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300024343979	1	43	0.0	-72.05	363.02	4.61	-67.44
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C[NH+]2CCSCC2)=C1	REAL300024343980	0	43	0.0	-76.65	366.71	4.23	-72.42
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(CC[NH+]2CCSCC2)C=C1	REAL300024343981	0	46	0.0	-75.92	389.51	5.11	-70.81
C[NH+](C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024343994	0	41	0.0	-62.69	348.09	4.66	-58.03
COC1=CC=C(C[NH+]2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024344009	0	52	0.0	-75.23	421.02	3.96	-71.27
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024344017	0	46	0.0	-62.33	386.27	1.45	-60.88
CC1CC[NH+](CC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024344020	0	51	0.0	-65.75	389.83	5.46	-60.29
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300024344031	0	45	0.0	-71.52	381.89	3.76	-67.76
C[NH+](C)CCN1C(=O)OC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C21	REAL300024344039	0	44	0.0	-76.59	381.79	2.99	-73.60
C[NH+](C)CCN1C=CC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024344052	0	38	0.0	-73.60	329.39	1.62	-71.98
CC1=CC=C(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+]2CCCC2)C=C1	REAL300024344054	0	48	0.0	-65.65	391.65	4.62	-61.03
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300024344055	0	51	0.0	-68.24	402.74	4.80	-63.44
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024344074	1	49	0.0	-80.05	398.74	3.10	-76.95
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300024344083	0	48	0.0	-69.47	377.13	4.67	-64.80
C[NH+](C)CCN(CC1=CC=CC(C#N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024344096	0	45	0.0	-81.80	389.87	5.60	-76.20
CN1CCC([NH+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024344111	0	50	0.0	-69.37	383.46	0.63	-68.74
O=C(CSC1=NNC(=O)[N-]1)NCC1C[N@@H+]2CCCC2CO1	REAL300024344118	0	40	0.0	-65.30	324.95	-0.10	-65.40
O=C(CSC1=NNC(=O)[N-]1)NCC1C[N@H+]2CCCC2CO1	REAL300024344118	1	40	0.0	-65.47	325.45	-0.21	-65.68
CC1CCC(C)[NH+]1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024344120	0	48	0.0	-61.24	355.98	3.76	-57.48
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024344152	0	49	0.0	-71.32	399.40	4.62	-66.70
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300024344167	0	47	0.0	-78.15	388.61	3.01	-75.14
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024344194	0	44	0.0	-71.50	369.06	5.21	-66.29
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024344197	0	44	0.0	-74.44	375.47	5.27	-69.17
CC1=CC=C(CN(CC[NH+](C)C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024344198	0	44	0.0	-73.45	372.63	4.17	-69.28
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024344200	0	50	0.0	-69.57	396.52	6.15	-63.42
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024344201	0	44	0.0	-69.36	385.79	5.73	-63.63
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024344202	0	44	0.0	-78.52	375.65	5.29	-73.23
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024344203	0	44	0.0	-73.42	381.76	5.34	-68.08
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024344204	0	44	0.0	-69.72	375.47	5.27	-64.45
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CC2CCCCC2)CC1	REAL300024344232	0	51	0.0	-69.88	393.33	4.36	-65.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300024344245	1	42	0.0	-70.27	353.39	2.83	-67.44
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCC2=C(C=CS2)C1	REAL300024344245	1	42	0.0	-70.41	353.02	2.79	-67.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300024344251	0	45	0.0	-69.10	363.86	4.11	-64.99
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300024344251	1	45	0.0	-69.12	362.22	3.78	-65.34
NC(=O)C1CCC[N@H+](CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024344257	0	45	0.0	-68.73	364.79	-1.39	-70.12
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C[NH+]1CCN(C(=O)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024344997	1	42	0.0	-82.52	351.72	-0.03	-82.55
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CC[NH+]1CCN(C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024344999	0	46	0.0	-65.75	361.14	0.03	-65.72
CC[NH+]1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024345000	0	43	0.0	-67.14	347.73	-0.81	-67.95
CCCC[N@H+](C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024345001	0	50	0.0	-72.21	387.74	5.19	-67.02
CCCC[N@@H+](C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024345001	1	50	0.0	-72.16	387.78	5.20	-66.96
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024345002	0	57	0.0	-77.38	441.46	3.21	-74.17
C[NH+](C)CCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024345005	0	45	0.0	-67.26	362.80	2.48	-64.78
C[NH+]1CCN(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024345016	1	48	0.0	-78.26	375.74	2.06	-76.20
CC(C)[N@H+](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024345032	0	44	0.0	-66.92	336.05	2.99	-63.93
CC(C)[N@@H+](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024345032	1	44	0.0	-67.10	335.71	3.02	-64.08
CC[NH+](CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024345042	0	44	0.0	-67.10	335.10	3.06	-64.04
C=C(C)C[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024345048	0	42	0.0	-68.02	346.20	2.17	-65.85
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C[NH+](C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCS(=O)(=O)C1	REAL300024346640	0	44	0.0	-75.01	365.66	-0.22	-75.23
C[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=C(F)C=C1	REAL300024346664	0	41	0.0	-77.51	355.05	2.77	-74.74
C[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=C(F)C=C1	REAL300024346664	1	41	0.0	-77.49	355.06	2.77	-74.72
C[NH+](C)CCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024346666	0	48	0.0	-70.25	385.38	3.10	-67.15
C[NH+](C)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCS(=O)(=O)C1	REAL300024346674	0	47	0.0	-74.03	387.58	0.59	-73.44
CC1C[NH+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC(C)O1	REAL300024346675	0	48	0.0	-71.78	389.76	1.61	-70.17
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300024346685	0	47	0.0	-70.35	383.25	3.87	-66.48
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300024346685	1	47	0.0	-68.41	380.58	3.84	-64.57
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024346694	0	41	0.0	-72.31	357.05	4.24	-68.07
C[NH+]1CCN(C(=O)CC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024346740	1	49	0.0	-82.79	407.04	3.54	-79.25
CC[NH+](CC)CCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024346778	0	48	0.0	-66.80	381.57	2.78	-64.02
CC(C)OCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024346779	0	48	0.0	-67.03	387.50	1.93	-65.10
CC[N@@H+]1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024346784	0	42	0.0	-64.58	322.46	3.82	-60.76
CC[N@H+]1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024346784	1	42	0.0	-60.74	322.97	3.75	-56.99
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300024346797	0	48	0.0	-61.43	374.07	5.87	-55.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300024346797	1	48	0.0	-72.78	374.50	6.23	-66.55
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300024346812	1	52	0.0	-70.09	405.40	3.60	-66.49
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300024346812	1	52	0.0	-70.23	416.98	4.00	-66.23
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024346818	0	47	0.0	-69.50	392.75	5.58	-63.92
O=C(CSC1=NNC(=O)[N-]1)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300024346822	0	52	0.0	-67.51	387.05	2.29	-65.22
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024346829	0	51	0.0	-70.81	404.24	5.63	-65.18
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300024346842	0	52	0.0	-68.92	393.85	6.03	-62.89
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300024346842	1	52	0.0	-70.32	404.58	6.59	-63.73
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024346871	0	53	0.0	-68.81	430.75	5.62	-63.19
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024346871	1	53	0.0	-68.44	431.47	5.64	-62.80
CC1=CC=[NH+]C(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024346882	1	41	0.0	-62.42	340.15	2.35	-60.07
C[NH+](C)CCN(CC1=CC=CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024346894	0	41	0.0	-71.81	350.21	3.41	-68.40
C[N@@H+]1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21	REAL300024346904	0	42	0.0	-69.67	320.97	2.65	-67.02
C[N@H+]1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21	REAL300024346904	1	42	0.0	-68.86	328.16	3.03	-65.83
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)N=C2)CC1	REAL300024346911	0	49	0.0	-75.92	390.82	2.64	-73.28
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024346912	0	54	0.0	-69.02	400.26	5.65	-63.37
CC1CCCC[N@H+]1CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024346912	1	54	0.0	-68.48	407.02	5.96	-62.52
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024346961	1	50	0.0	-73.93	413.75	1.85	-72.08
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024346961	1	50	0.0	-74.17	414.19	1.91	-72.26
CN1C=C[NH+]=C1N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024346977	1	39	0.0	-61.91	324.24	2.71	-59.20
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OCC[NH+]2CCCC2)C1	REAL300024347042	0	46	0.0	-68.26	373.72	3.09	-65.17
C[N@@H+]1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024347061	0	42	0.0	-65.40	326.76	3.15	-62.25
C[N@H+]1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024347061	1	42	0.0	-65.46	326.77	3.16	-62.30
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1C[N@H+](C)CCO1	REAL300024347064	1	39	0.0	-71.42	316.58	-0.90	-72.32
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1C[N@@H+](C)CCO1	REAL300024347064	1	39	0.0	-69.01	324.99	-0.03	-69.04
O=C(CSC1=NNC(=O)[N-]1)NCC(O)C[NH+]1CCCCC1	REAL300024347077	0	42	0.0	-68.62	344.48	-1.38	-70.00
O=C(CSC1=NNC(=O)[N-]1)NCCCC[N@H+]1CCCC1CO	REAL300024347080	0	45	0.0	-70.01	365.08	-1.20	-71.21
O=C(CSC1=NNC(=O)[N-]1)NCCCC[N@@H+]1CCCC1CO	REAL300024347080	1	45	0.0	-67.23	368.62	-0.66	-67.89
O=C(CSC1=NNC(=O)[N-]1)NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL300024347086	0	46	0.0	-73.50	383.00	0.76	-72.74
O=C(CSC1=NNC(=O)[N-]1)NCC(O)C[N@H+]1CCC2=CC=CC=C2C1	REAL300024347086	1	46	0.0	-73.40	382.68	0.83	-72.57
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300024347121	0	45	0.0	-69.25	368.21	3.50	-65.75
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300024347121	1	45	0.0	-67.91	373.24	3.82	-64.09
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024347139	0	45	0.0	-58.83	368.27	4.58	-54.25
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL300024347163	0	49	0.0	-69.91	397.60	4.24	-65.67
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@@H+](CC2=CC(Cl)=CC=C2O)C1	REAL300024347168	1	46	0.0	-74.32	389.51	2.39	-71.93
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@H+](CC2=CC(Cl)=CC=C2O)C1	REAL300024347168	1	46	0.0	-73.03	399.09	1.69	-71.34
O=C(CSC1=NNC(=O)[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL300024347172	0	49	0.0	-66.42	392.37	1.47	-64.95
O=C(CSC1=NNC(=O)[N-]1)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL300024347172	1	49	0.0	-65.53	392.77	1.12	-64.41
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024347219	0	45	0.0	-71.33	380.08	2.35	-68.98
CCOC(CC[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024347253	0	44	0.0	-69.70	366.56	0.79	-68.91
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL300024347263	0	49	0.0	-74.61	399.72	1.80	-72.81
CC(C)[NH+]1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024347286	0	45	0.0	-67.43	351.96	-0.85	-68.28
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](C2CCCCC2O)CC1	REAL300024347313	0	49	0.0	-65.57	379.03	0.33	-65.24
C[NH+](C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2O1	REAL300024347330	0	43	0.0	-69.95	354.43	3.79	-66.16
CC(C)C[N@@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024347350	0	44	0.0	-67.99	356.75	2.36	-65.63
CC(C)C[N@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024347350	1	44	0.0	-67.81	356.00	2.35	-65.46
CC(C)[NH+]1CCN(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024347390	0	50	0.0	-66.95	388.17	2.04	-64.91
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1[NH+]1CCN(C)CC1	REAL300024347399	0	50	0.0	-68.90	375.80	2.23	-66.67
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024347403	1	48	0.0	-66.90	378.38	5.47	-61.43
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024347403	1	48	0.0	-66.65	380.09	5.68	-60.97
C[NH+](C)CCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024347414	0	47	0.0	-70.23	370.21	4.40	-65.83
CC1=CC(C[NH+](C)C)=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024347424	0	41	0.0	-73.43	347.88	3.31	-70.12
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC=[NH+]C=C2Cl)CC1	REAL300024347444	1	38	0.0	-69.47	339.19	1.62	-67.85
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CC2CCCC2)CC1	REAL300024347446	0	48	0.0	-69.51	376.72	3.68	-65.83
C[NH+](C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024347458	0	51	0.0	-79.02	422.82	1.93	-77.09
CC1CC[NH+](CCC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024347470	0	51	0.0	-73.62	410.73	5.95	-67.67
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(CC[NH+]2CCCC2)=C1	REAL300024347476	0	45	0.0	-72.78	373.94	4.61	-68.17
CC1CC(CCNC(=O)CSC2=NNC(=O)[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300024347481	0	51	0.0	-68.90	415.44	5.10	-63.80
CC1CC(CCNC(=O)CSC2=NNC(=O)[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300024347481	1	51	0.0	-69.43	416.35	5.09	-64.34
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO	REAL300024347490	0	49	0.0	-68.76	401.99	1.47	-67.29
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@H+](CC2=CC=CC=C2)CC1CO	REAL300024347490	1	49	0.0	-68.38	392.85	1.34	-67.04
CC(C1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024347513	0	44	0.0	-67.07	346.60	3.88	-63.19
C[NH+]1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024347528	0	42	0.0	-51.35	317.54	2.73	-48.62
CC[NH+](CC)CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCS(=O)(=O)C1	REAL300024347542	0	50	0.0	-71.65	395.56	0.81	-70.84
CC[N@@H+]1CCCC1CN(CC1=CC=C(O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024347546	0	52	0.0	-69.13	415.32	4.22	-64.91
CC[N@H+]1CCCC1CN(CC1=CC=C(O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024347546	1	52	0.0	-69.83	412.22	3.55	-66.28
COC1=CC=C(C(C[NH+]2CCCC2)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024347566	0	49	0.0	-61.26	400.74	3.39	-57.87
CCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CCOC	REAL300024347582	1	48	0.0	-65.42	377.45	2.54	-62.88
CCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CCOC	REAL300024347582	1	48	0.0	-67.35	372.00	2.74	-64.61
COCC[N@H+](C)CCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024347583	0	54	0.0	-69.14	420.52	4.23	-64.91
COCC[N@@H+](C)CCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024347583	1	54	0.0	-69.97	420.54	4.23	-65.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300024347589	0	46	0.0	-67.49	352.68	3.96	-63.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300024347589	1	46	0.0	-67.69	347.83	3.85	-63.84
CCC(CO)[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024347608	1	42	0.0	-65.75	326.64	-0.19	-65.94
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)N=C2)C1	REAL300024347612	0	46	0.0	-75.81	377.21	2.03	-73.78
CC(C)[NH+]1CCC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024347615	0	53	0.0	-67.49	397.45	2.76	-64.73
CC1=[NH+]C=CN1CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024347620	1	39	0.0	-62.82	338.69	3.60	-59.22
CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024347650	0	51	0.0	-74.45	401.80	2.07	-72.38
CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024347650	1	51	0.0	-74.53	401.84	2.10	-72.43
C[NH+](C)C1CCC2C(C1)OCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024347674	0	46	0.0	-66.64	352.58	2.03	-64.61
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300024347700	0	49	0.0	-71.87	410.41	5.66	-66.21
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300024347700	1	49	0.0	-71.20	411.16	5.69	-65.51
CC(C)C[N@@H+]1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024347717	0	47	0.0	-67.76	371.55	3.14	-64.62
CC(C)C[N@H+]1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024347717	1	47	0.0	-65.87	364.66	3.13	-62.74
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024347722	0	47	0.0	-74.18	382.34	2.80	-71.38
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300024347737	0	48	0.0	-69.53	389.27	4.07	-65.46
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300024347737	1	48	0.0	-69.31	387.81	4.02	-65.29
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024347770	0	46	0.0	-72.34	362.06	1.93	-70.41
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024347770	1	46	0.0	-70.50	361.52	1.95	-68.55
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](C2CCCCC2)CC1	REAL300024347775	0	45	0.0	-67.52	346.48	3.89	-63.63
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCC[NH+]2CCCC2)CC1	REAL300024347788	0	51	0.0	-69.14	396.10	5.55	-63.59
CC1CC[NH+](C2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024347820	0	51	0.0	-67.94	391.88	4.00	-63.94
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024347831	1	48	0.0	-69.08	359.01	2.37	-66.71
CC(C)C[N@@H+]1CC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2C1	REAL300024347836	0	45	0.0	-72.02	367.69	4.36	-67.66
CC(C)C[N@H+]1CC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2C1	REAL300024347836	1	45	0.0	-71.59	367.62	4.37	-67.22
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(C[NH+]2CCOCC2)CC1	REAL300024347885	0	47	0.0	-69.61	361.63	-0.02	-69.63
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300024347901	0	52	0.0	-72.75	403.04	3.83	-68.92
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300024347903	0	52	0.0	-72.14	410.56	5.91	-66.23
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300024347903	1	52	0.0	-70.64	414.62	5.47	-65.17
CC[N@H+](CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)C	REAL300024347927	0	56	0.0	-70.15	423.06	6.39	-63.76
CC[N@@H+](CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)C	REAL300024347927	1	56	0.0	-69.98	423.40	6.38	-63.60
CC[N@H+](CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC1CC1	REAL300024347943	0	54	0.0	-69.90	417.45	6.49	-63.41
CC[N@@H+](CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC1CC1	REAL300024347943	1	54	0.0	-70.44	417.52	6.49	-63.95
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300024347966	0	44	0.0	-68.27	362.98	0.86	-67.41
CCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300024347972	1	51	0.0	-71.00	399.02	6.51	-64.49
CCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300024347972	1	51	0.0	-68.20	403.68	6.30	-61.90
N#CC1(NC(=O)CSC2=NNC(=O)[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300024347997	0	46	0.0	-79.99	382.88	3.69	-76.30
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348018	0	44	0.0	-72.05	367.42	3.92	-68.13
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348018	1	44	0.0	-72.00	367.36	3.92	-68.08
C[N@@H+]1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024348039	0	42	0.0	-66.99	321.24	2.55	-64.44
C[N@H+]1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024348039	1	42	0.0	-67.01	321.17	2.55	-64.46
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300024348057	0	48	0.0	-69.22	393.77	4.57	-64.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300024348057	1	48	0.0	-71.99	394.38	4.55	-67.44
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348082	0	50	0.0	-68.03	401.02	3.55	-64.48
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300024348107	0	52	0.0	-69.77	427.24	4.59	-65.18
C[N@H+](CCC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1)C1CC1	REAL300024348126	0	45	0.0	-71.78	377.97	4.88	-66.90
C[N@@H+](CCC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1)C1CC1	REAL300024348126	1	45	0.0	-71.90	377.98	4.89	-67.01
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024348143	0	50	0.0	-71.64	394.34	3.00	-68.64
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024349178	0	48	0.0	-69.08	384.56	5.82	-63.26
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024349178	1	48	0.0	-68.48	393.02	5.09	-63.39
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349190	0	50	0.0	-72.71	401.26	5.33	-67.38
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349190	1	50	0.0	-73.26	398.18	5.03	-68.23
CC(O)C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024349245	1	42	0.0	-66.77	336.07	-0.14	-66.91
CC(O)C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024349245	1	42	0.0	-69.78	334.29	-0.35	-70.13
C[N@H+](CCO)CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300024349294	1	42	0.0	-69.18	368.14	0.58	-68.60
C[N@@H+](CCO)CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300024349294	1	42	0.0	-66.98	366.15	0.89	-66.09
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349308	0	51	0.0	-70.44	400.04	5.61	-64.83
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349308	1	51	0.0	-69.82	401.40	5.31	-64.51
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300024349320	0	46	0.0	-70.53	359.96	2.44	-68.09
C[N@@H+]1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024349407	0	46	0.0	-63.60	354.88	-0.57	-64.17
C[N@H+]1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024349407	1	46	0.0	-65.02	357.39	-0.40	-65.42
CN1NC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=NC1=[NH2+]	REAL300024349418	1	41	0.0	-66.24	345.69	2.59	-63.65
C[NH+](C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C=C1	REAL300024349433	0	41	0.0	-68.20	364.96	4.13	-64.07
C[NH+]1CCN(C(=O)NNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349439	1	38	0.0	-73.60	323.43	-0.77	-74.37
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300024349462	0	46	0.0	-67.10	360.27	2.45	-64.65
CCC1=CC=C(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[NH2+]2)C=C1	REAL300024349464	1	45	0.0	-73.96	370.73	3.85	-70.11
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024349473	0	49	0.0	-73.41	404.62	2.08	-71.33
C[NH+]1CCC2(CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024349505	0	45	0.0	-62.52	341.92	3.82	-58.70
CC1(C)CCC[N@H+](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024349517	0	44	0.0	-67.20	347.92	2.10	-65.10
CC1(C)CCC[N@@H+](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024349517	1	44	0.0	-67.15	347.93	2.10	-65.05
CC1=C[NH+]=CC=C1OC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349526	1	43	0.0	-70.20	356.86	2.91	-67.29
C[NH+](C)CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300024349529	1	38	0.0	-68.84	340.40	3.16	-65.68
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024349554	0	46	0.0	-69.67	354.26	2.25	-67.42
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024349554	1	46	0.0	-70.13	352.38	2.07	-68.06
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@@H+]1C1CCCCC1	REAL300024349563	0	48	0.0	-65.91	363.40	2.74	-63.17
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@H+]1C1CCCCC1	REAL300024349563	1	48	0.0	-63.18	365.43	3.22	-59.96
C[NH+](C)CC1CCN(C2=CC=CC=C2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349664	0	53	0.0	-68.53	413.59	4.80	-63.73
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=[NH+]C=CN2)CC1	REAL300024349670	1	36	0.0	-63.91	306.24	1.29	-62.62
C[NH+]1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024349672	0	41	0.0	-71.34	338.83	0.15	-71.19
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300024349682	0	48	0.0	-70.32	393.97	4.58	-65.74
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300024349682	1	48	0.0	-70.30	393.29	4.54	-65.76
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024349696	0	46	0.0	-70.15	352.48	2.06	-68.09
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024349696	1	46	0.0	-69.64	354.29	2.26	-67.38
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[NH+](C2CC2)CC1	REAL300024349703	0	42	0.0	-67.21	339.84	2.29	-64.92
C[NH+](C)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024349720	1	38	0.0	-65.20	339.76	3.18	-62.02
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1NC1=CC=[NH+]C=C1	REAL300024349731	0	38	0.0	-70.13	332.06	2.05	-68.08
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300024349741	0	45	0.0	-71.33	376.38	3.85	-67.48
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300024349741	1	45	0.0	-71.31	376.75	3.85	-67.46
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+]1CCCC1	REAL300024349783	0	44	0.0	-67.11	341.75	2.39	-64.72
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300024349786	0	46	0.0	-75.96	375.37	5.18	-70.78
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300024349786	1	46	0.0	-75.13	376.04	5.23	-69.90
O=C(CSC1=NNC(=O)[N-]1)N1CCC([NH+]2CCC2)C(F)C1	REAL300024349832	1	39	0.0	-67.40	315.29	2.32	-65.08
CN1C=C[NH+]=C1N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349867	1	42	0.0	-62.15	348.77	2.20	-59.95
C[N@@H+]1CCCC(C)(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024349931	0	44	0.0	-65.55	332.26	3.09	-62.46
C[N@H+]1CCCC(C)(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024349931	1	44	0.0	-65.55	332.28	3.09	-62.46
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC[N@@H+]1C1CC1	REAL300024349973	0	42	0.0	-63.81	333.34	1.98	-61.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC[N@H+]1C1CC1	REAL300024349973	1	42	0.0	-64.18	335.13	1.99	-62.19
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349978	0	51	0.0	-61.37	404.30	6.07	-55.30
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N@@H+]2CCC(O)C2)C1	REAL300024349984	0	40	0.0	-69.36	333.17	-0.78	-70.14
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N@H+]2CCC(O)C2)C1	REAL300024349984	1	40	0.0	-70.32	332.72	-0.79	-71.11
CO[C@H]1C[C@@H](CN(C)C(=O)CSC2=NNC(=O)[N-]2)[N@H+](C)C1	REAL300024349992	0	42	0.0	-57.49	343.41	1.57	-55.92
CO[C@H]1C[C@@H](CN(C)C(=O)CSC2=NNC(=O)[N-]2)[N@@H+](C)C1	REAL300024349992	1	42	0.0	-71.58	337.59	0.94	-70.64
CC1C([NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024350000	0	42	0.0	-68.31	329.25	3.26	-65.05
C[NH+](C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C=C1	REAL300024350045	0	44	0.0	-69.37	377.39	5.07	-64.30
COCC[NH+](CCOC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024350050	0	52	0.0	-65.96	397.94	1.78	-64.18
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024350057	0	51	0.0	-70.44	409.86	2.58	-67.86
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CC1=CC=CC=C1	REAL300024350061	1	45	0.0	-75.09	365.64	4.92	-70.17
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CC1=CC=CC=C1	REAL300024350061	1	45	0.0	-75.10	365.65	4.95	-70.15
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024350070	0	49	0.0	-72.52	374.41	2.65	-69.87
CCN(CC[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024350071	0	47	0.0	-64.44	361.71	4.27	-60.17
CC[NH+](CC)CCOC(=O)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024350075	0	50	0.0	-73.53	413.00	4.81	-68.72
CC1=CC=C(C[N@H+]2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024350076	0	48	0.0	-68.55	402.33	5.79	-62.76
CC1=CC=C(C[N@@H+]2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024350076	1	48	0.0	-66.11	401.81	5.87	-60.24
CN1CCC([NH+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1=O	REAL300024350080	0	46	0.0	-75.74	372.41	0.87	-74.87
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024350120	0	44	0.0	-69.10	370.38	3.89	-65.21
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024350120	1	44	0.0	-69.57	369.29	3.81	-65.76
O=C(CSC1=NNC(=O)[N-]1)NCC([NH2+]CC1=CC=CC=C1)C1=CC=CO1	REAL300024350130	1	45	0.0	-72.66	392.82	2.95	-69.71
CCC[N@H+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C=C1	REAL300024350149	0	47	0.0	-71.71	398.83	4.67	-67.04
CCC[N@@H+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C=C1	REAL300024350149	1	47	0.0	-71.18	390.59	5.22	-65.96
CCCN(CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024350150	0	44	0.0	-64.21	357.52	4.14	-60.07
CC1CC([NH+]2CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024350167	0	42	0.0	-69.99	338.90	3.27	-66.72
C[NH+]1CCC(OC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024350173	0	49	0.0	-72.66	403.69	3.46	-69.20
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024350194	0	53	0.0	-69.51	425.23	4.31	-65.20
COC1=CC=C(C(C[NH+](C)C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024350209	0	45	0.0	-63.58	375.36	2.30	-61.28
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024350212	0	42	0.0	-73.72	357.64	4.28	-69.44
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024350212	1	42	0.0	-74.07	357.45	4.29	-69.78
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300024350213	0	49	0.0	-73.81	396.86	5.80	-68.01
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300024350213	1	49	0.0	-74.17	396.63	5.80	-68.37
O=C(CSC1=NNC(=O)[N-]1)NC(CO)C[NH+]1CCCCC1	REAL300024350223	0	42	0.0	-64.53	341.90	-1.11	-65.64
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024350224	0	42	0.0	-73.72	357.64	4.28	-69.44
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024350224	1	42	0.0	-74.07	357.45	4.29	-69.78
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC2CCC(C1)[NH+]2C	REAL300024350227	0	42	0.0	-61.89	300.79	2.11	-59.78
CCCN(CC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024350228	0	47	0.0	-64.06	368.71	4.66	-59.40
C[N@@H+]1CCC(OC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024350237	0	46	0.0	-70.19	369.86	2.77	-67.42
C[N@H+]1CCC(OC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024350237	1	46	0.0	-69.48	366.38	2.68	-66.80
O=C(CSC1=NNC(=O)[N-]1)N1CCCC([NH+]2CCOCC2)CC1	REAL300024350243	0	46	0.0	-68.30	350.08	2.30	-66.00
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300024350253	0	44	0.0	-63.84	368.18	3.37	-60.47
C[NH+]1CCC(N(CC(O)CC(C)(C)C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024350258	0	57	0.0	-65.84	430.77	3.69	-62.15
O=C(CNC(=O)CSC1=NNC(=O)[N-]1)NCC[NH+]1CCCCC1	REAL300024350333	0	45	0.0	-72.69	372.14	-0.55	-73.24
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024350343	0	46	0.0	-75.38	393.02	3.96	-71.42
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024350353	0	53	0.0	-61.63	368.38	4.50	-57.13
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC[NH+]2CCOCC2)CC1	REAL300024350378	0	49	0.0	-73.61	381.60	3.04	-70.57
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300024350384	0	48	0.0	-71.31	378.54	5.92	-65.39
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300024350384	1	48	0.0	-71.50	379.79	5.62	-65.88
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H](C)[N@H+]1CCO	REAL300024350392	1	42	0.0	-64.28	324.34	-0.68	-64.96
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H](C)[N@@H+]1CCO	REAL300024350392	1	42	0.0	-65.63	325.55	-1.17	-66.80
O=C(CSC1=NNC(=O)[N-]1)NCC[NH+]1CCC(O)CC1	REAL300024350396	0	39	0.0	-71.39	324.26	-2.39	-73.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@@H+](CCCO)C1	REAL300024350435	0	42	0.0	-72.40	341.65	-1.03	-73.43
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@H+](CCCO)C1	REAL300024350435	1	42	0.0	-72.43	341.65	-1.04	-73.47
C[N@@H+]1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024350444	0	42	0.0	-66.99	329.73	2.98	-64.01
C[N@H+]1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024350444	1	42	0.0	-68.06	330.99	3.01	-65.05
C[NH+](C)CC(C)(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024350445	0	50	0.0	-70.69	367.96	4.29	-66.40
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCCCC2	REAL300024350482	0	45	0.0	-69.69	333.39	3.47	-66.22
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCCCC2	REAL300024350482	1	45	0.0	-69.69	333.36	3.47	-66.22
C[NH+](C)CCCC(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350500	0	43	0.0	-71.45	341.54	1.72	-69.73
CC(C)[NH2+]C1(CO)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024350503	0	45	0.0	-71.66	339.68	-1.63	-73.29
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024350529	0	48	0.0	-64.97	381.48	4.56	-60.41
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024350529	1	48	0.0	-66.60	383.22	4.13	-62.47
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+](C2CCC2)C1	REAL300024350555	0	45	0.0	-66.61	347.14	4.17	-62.44
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+](C2CCC2)C1	REAL300024350555	1	45	0.0	-62.57	339.08	4.55	-58.02
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL300024350558	0	46	0.0	-73.44	382.98	0.75	-72.69
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1	REAL300024350558	1	46	0.0	-73.93	383.13	0.72	-73.21
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@H+]1CCCO	REAL300024350569	0	42	0.0	-67.90	343.09	-2.04	-69.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@@H+]1CCCO	REAL300024350569	1	42	0.0	-67.25	343.88	-1.53	-68.78
COC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024350570	0	48	0.0	-67.85	374.29	3.44	-64.41
COC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024350570	1	48	0.0	-70.93	378.51	3.71	-67.22
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300024350575	0	43	0.0	-65.42	332.68	3.84	-61.58
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=[NH+]C(N2CCC3=CC=CC=C3C2)=C1	REAL300024350579	1	45	0.0	-61.28	376.57	3.69	-57.59
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@H+](CC2=CC=CC=C2)C2CCCCC21	REAL300024350592	0	52	0.0	-67.80	388.66	5.92	-61.88
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@@H+](CC2=CC=CC=C2)C2CCCCC21	REAL300024350592	1	52	0.0	-68.37	399.07	6.53	-61.84
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]21	REAL300024350597	0	43	0.0	-70.17	365.58	4.13	-66.04
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]21	REAL300024350597	1	43	0.0	-69.84	367.17	3.99	-65.85
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C[N@H+]2CCC(O)C2)=C1	REAL300024350604	0	43	0.0	-72.18	363.50	0.47	-71.71
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C[N@@H+]2CCC(O)C2)=C1	REAL300024350604	1	43	0.0	-73.43	361.62	0.34	-73.09
CSC1=CC=C(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+](C)C)C=C1	REAL300024350625	0	45	0.0	-72.38	383.48	3.74	-68.64
O=C(CSC1=NNC(=O)[N-]1)NCCCCC[NH+]1CCCC1	REAL300024350641	0	44	0.0	-67.87	362.45	2.65	-65.22
CN1CC[NH+](CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024350658	0	44	0.0	-75.02	356.14	0.59	-74.43
C[NH+]1CCN(CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024350658	1	44	0.0	-70.29	357.32	0.66	-69.63
C[NH+](C)CC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350698	0	38	0.0	-68.56	316.39	3.37	-65.19
C[NH+]1CCC2(CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024350702	0	48	0.0	-70.75	364.05	2.88	-67.87
C[NH+](C)C1CCC2(CC1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024350705	0	51	0.0	-71.30	373.86	4.51	-66.79
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300024350706	0	52	0.0	-75.13	410.30	6.46	-68.67
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCCC(C1)[NH+]2CC1=CC=CC=C1	REAL300024350713	0	52	0.0	-65.57	395.87	5.00	-60.57
C[N@@H+]1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024350719	0	42	0.0	-71.36	332.59	2.91	-68.45
C[N@H+]1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024350719	1	42	0.0	-64.64	334.20	3.00	-61.64
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300024350792	0	52	0.0	-75.13	410.30	6.46	-68.67
CCC(CC)NC1=CC=[NH+]C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350800	0	43	0.0	-57.67	351.29	1.19	-56.48
C[NH+](C)CCN1N=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350822	0	38	0.0	-71.60	327.98	1.56	-70.04
COCC[NH+]1C2CCC1CC(N(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024350823	0	49	0.0	-65.78	374.31	2.52	-63.26
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350833	0	47	0.0	-67.96	364.69	3.27	-64.69
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+](C2CC2)C1	REAL300024350836	0	42	0.0	-67.89	332.91	3.22	-64.67
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+](C2CC2)C1	REAL300024350836	1	42	0.0	-66.06	332.54	3.83	-62.23
CC(C)C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)N1CCC([NH+](C)C)C1	REAL300024350862	0	54	0.0	-74.37	421.27	2.31	-72.06
CCC1=CC=C(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+](CC)CC)C=C1	REAL300024350866	0	53	0.0	-63.70	416.94	5.07	-58.63
O=C(CNC(=O)CSC1=NNC(=O)[N-]1)NCC[NH+]1CCCCCC1	REAL300024350867	0	48	0.0	-73.55	382.61	-0.31	-73.86
CC1COCC[N@@H+]1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024350884	0	46	0.0	-68.50	351.28	1.77	-66.73
CC1COCC[N@H+]1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024350884	1	46	0.0	-68.58	351.24	1.77	-66.81
CCC[N@H+](CC)C[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350900	0	43	0.0	-65.06	337.56	2.78	-62.28
CCC[N@@H+](CC)C[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350900	1	43	0.0	-65.28	344.17	2.94	-62.34
C[NH+]1CCC(N(CC2CC3C=CC2C3)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024350909	0	53	0.0	-63.83	395.48	6.34	-57.49
CC(C)OC1=CC=C(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+](C)C)C=C1	REAL300024350916	0	51	0.0	-71.63	412.55	3.61	-68.02
CCCC[N@H+](C)C[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350944	0	43	0.0	-68.42	351.53	2.55	-65.87
CCCC[N@@H+](C)C[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350944	1	43	0.0	-68.08	351.43	2.51	-65.57
O=C(CSC1=NNC(=O)[N-]1)NC(CO)C[NH+]1CCCC1	REAL300024350947	0	39	0.0	-63.98	325.99	-1.84	-65.82
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024350955	0	47	0.0	-67.76	398.84	1.43	-66.33
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350956	0	44	0.0	-72.09	367.32	3.92	-68.17
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350956	1	44	0.0	-71.32	367.41	3.92	-67.40
O=C(CSC1=NNC(=O)[N-]1)N(CC[NH+]1CCCCCC1)C1CCC1	REAL300024350958	0	51	0.0	-64.75	375.32	4.91	-59.84
CSC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC[NH+](C)CC1	REAL300024350995	0	42	0.0	-69.53	344.17	1.84	-67.69
CCCC[N@H+](C)C[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350999	0	43	0.0	-68.11	351.43	2.51	-65.60
CCCC[N@@H+](C)C[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024350999	1	43	0.0	-68.41	351.50	2.55	-65.86
C[NH+](C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024351027	0	41	0.0	-69.21	354.64	3.67	-65.54
CC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC(N2CCCC2)=[NH+]1	REAL300024351065	1	44	0.0	-60.19	371.81	1.48	-58.71
CC[NH+](CC)CC(=O)NC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351069	0	48	0.0	-73.98	395.55	2.51	-71.47
COCC[N@H+](C)CCN1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1=O	REAL300024351079	0	49	0.0	-75.98	407.20	0.09	-75.89
COCC[N@@H+](C)CCN1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1=O	REAL300024351079	1	49	0.0	-75.28	407.33	0.08	-75.20
CN(CCC[N@H+](C)CC1=CC=NC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351080	0	46	0.0	-74.17	382.98	3.88	-70.29
CN(CCC[N@@H+](C)CC1=CC=NC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351080	1	46	0.0	-74.79	383.25	3.90	-70.89
CCC[N@H+](CC)C[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351116	0	43	0.0	-65.75	347.90	2.44	-63.31
CCC[N@@H+](CC)C[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351116	1	43	0.0	-65.59	347.78	2.47	-63.12
CN(C)CC[N@H+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351125	0	45	0.0	-70.72	366.66	-0.63	-71.35
CN(C)CC[N@@H+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351125	1	45	0.0	-70.73	366.66	-0.64	-71.37
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)CC[NH+](C)C	REAL300024351125	1	45	0.0	-68.58	366.90	-0.47	-69.05
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300024351126	0	45	0.0	-69.22	363.71	3.87	-65.35
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300024351126	1	45	0.0	-69.23	363.64	3.87	-65.36
CC(C)CC1=CC=C(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+](C)C)C=C1	REAL300024351132	0	53	0.0	-68.73	424.35	5.42	-63.31
CN(C)CC[N@H+](C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351136	0	48	0.0	-66.92	384.75	1.52	-65.40
CN(C)CC[N@@H+](C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351136	1	48	0.0	-66.20	384.49	1.49	-64.71
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)CC[NH+](C)C	REAL300024351136	1	48	0.0	-67.51	385.00	1.67	-65.84
CCCN(CC[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351137	0	50	0.0	-64.79	383.21	5.03	-59.76
CC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024354166	0	45	0.0	-66.95	341.57	2.20	-64.75
CC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024354166	1	45	0.0	-66.56	341.42	2.26	-64.30
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@@H+]2CCSCC12	REAL300024354177	1	40	0.0	-71.21	329.92	2.60	-68.61
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@H+]2CCSCC12	REAL300024354177	1	40	0.0	-71.12	329.90	2.59	-68.53
O=C(CSC1=NNC(=O)[N-]1)N1CC([NH2+]C2CCOCC2)C1	REAL300024354191	0	40	0.0	-79.26	331.01	-0.73	-79.99
O=C(CSC1=NNC(=O)[N-]1)N1CCC([NH2+]C2CCOCC2)CC1	REAL300024354192	0	46	0.0	-75.44	359.88	0.81	-74.63
CN(C)C1=CC=[NH+]C(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024354217	0	37	0.0	-60.86	325.01	-0.14	-61.00
CC1([NH+]2CCCC2)CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024354275	0	48	0.0	-65.76	356.92	3.10	-62.66
CCC1([NH+]2CCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024354280	0	45	0.0	-66.27	330.29	2.66	-63.61
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300024354295	0	49	0.0	-73.92	389.21	6.24	-67.68
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300024354295	1	49	0.0	-72.42	388.76	5.74	-66.68
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024354314	0	41	0.0	-67.22	333.36	1.26	-65.96
C[NH+](C)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CN=C1	REAL300024354365	0	43	0.0	-73.52	366.87	2.35	-71.17
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)C1CC[N@@H+]1C1CCOCC1	REAL300024354371	1	44	0.0	-69.06	363.07	-1.26	-70.32
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)C1CC[N@H+]1C1CCOCC1	REAL300024354371	1	44	0.0	-69.15	360.63	-1.39	-70.54
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCC1[NH+]1CCCC1	REAL300024354377	0	48	0.0	-63.64	366.48	3.23	-60.41
CC1=CC=C(NCCNC(=O)CSC2=NNC(=O)[N-]2)[NH+]=C1	REAL300024354430	1	37	0.0	-63.28	328.49	-0.01	-63.29
CC1=CC=CC(NCCNC(=O)CSC2=NNC(=O)[N-]2)=[NH+]1	REAL300024354431	1	37	0.0	-61.85	328.43	-0.07	-61.92
C#CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[NH+](C)CC1	REAL300024354462	0	40	0.0	-64.21	333.46	3.75	-60.46
CC(C)CC1C[N@H+](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024354470	1	44	0.0	-72.28	334.84	2.80	-69.48
CC(C)CC1C[N@@H+](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024354470	1	44	0.0	-72.33	334.81	2.78	-69.55
O=C(CSC1=NNC(=O)[N-]1)NC1CCOCC1[NH+]1CCCC1	REAL300024354485	0	43	0.0	-63.73	340.19	0.32	-63.41
CC[NH+]1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024354500	0	44	0.0	-70.06	357.36	0.77	-69.29
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@@H+]1C1CCOCC1	REAL300024354507	0	43	0.0	-69.07	347.19	-0.16	-69.23
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@H+]1C1CCOCC1	REAL300024354507	1	43	0.0	-70.45	352.00	0.14	-70.31
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@H+](CC2=CC=CC=C2)CCOCC1	REAL300024354583	0	52	0.0	-67.86	403.51	4.91	-62.95
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@@H+](CC2=CC=CC=C2)CCOCC1	REAL300024354583	1	52	0.0	-67.65	403.20	4.87	-62.78
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300024354596	1	41	0.0	-60.66	339.68	1.72	-58.94
NC1=[NH+]C(C2CC2)=NC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024354616	1	45	0.0	-61.41	377.93	4.39	-57.02
CC1([NH+]2CCC2)CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024354758	0	45	0.0	-66.81	341.90	2.49	-64.32
CC[NH+](CC)CC(CC)(CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354768	0	49	0.0	-64.53	348.65	4.48	-60.05
O=C(CSC1=NNC(=O)[N-]1)NN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300024354824	1	44	0.0	-70.34	368.33	3.16	-67.18
C[N@@H+]1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300024354833	0	42	0.0	-71.34	338.35	1.89	-69.45
C[N@H+]1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300024354833	1	42	0.0	-71.38	338.19	1.89	-69.49
CC1([NH+]2CCOCC2)CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024355005	0	49	0.0	-68.22	363.19	1.35	-66.87
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C1CCC[N@H+]2CCO	REAL300024355020	0	43	0.0	-69.59	330.41	-0.53	-70.12
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C1CCC[N@@H+]2CCO	REAL300024355020	1	43	0.0	-67.30	332.05	-0.86	-68.16
CN(CC(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024355026	0	43	0.0	-66.81	328.40	3.06	-63.75
O=C(CSC1=NNC(=O)[N-]1)N1CCC([NH2+]C2CCC2)CC1	REAL300024355034	0	42	0.0	-72.46	333.73	1.93	-70.53
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024355040	0	43	0.0	-69.63	347.47	2.17	-67.46
CN(C)C1=CC=C(C(CNC(=O)CSC2=NNC(=O)[N-]2)[NH+](C)C)C=C1	REAL300024355067	0	49	0.0	-68.59	393.83	3.12	-65.47
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024355083	0	51	0.0	-72.78	402.08	5.09	-67.69
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024355083	1	51	0.0	-72.44	397.72	4.48	-67.96
O=C(CSC1=NNC(=O)[N-]1)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300024355163	0	52	0.0	-74.97	408.88	5.23	-69.74
O=C(CSC1=NNC(=O)[N-]1)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300024355163	1	52	0.0	-71.34	413.80	5.46	-65.88
O=C(CSC1=NNC(=O)[N-]1)NC1=NN2CCC[N@H+](CC3=CC=CC=C3)CC2=C1	REAL300024355173	1	49	0.0	-77.29	402.68	5.22	-72.07
O=C(CSC1=NNC(=O)[N-]1)NC1=NN2CCC[N@@H+](CC3=CC=CC=C3)CC2=C1	REAL300024355173	1	49	0.0	-77.35	402.72	5.22	-72.13
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(C[NH+]2CCCCC2)CC1	REAL300024355186	0	49	0.0	-66.69	370.39	2.40	-64.29
CC(C)C1CC([NH+]2CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024355188	0	48	0.0	-72.05	374.27	4.93	-67.12
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300024355229	1	45	0.0	-69.40	359.41	5.06	-64.34
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300024355229	1	45	0.0	-67.41	363.68	4.90	-62.51
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C[NH+]1CCCCC1	REAL300024355232	0	45	0.0	-67.21	363.54	4.93	-62.28
CCC(C)[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024355236	0	44	0.0	-65.41	343.92	2.11	-63.30
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300024355277	0	54	0.0	-67.44	424.21	7.50	-59.94
C[NH+](C)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024355305	0	37	0.0	-74.57	322.62	2.30	-72.27
C[NH+](C)C1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300024355311	0	45	0.0	-72.12	352.26	3.51	-68.61
CC[NH+](CC)CCOC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024355326	0	48	0.0	-64.21	387.67	3.48	-60.73
CCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+](CC)CC1	REAL300024355384	0	49	0.0	-67.73	355.77	1.53	-66.20
CCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+](CC)CC1	REAL300024355384	1	49	0.0	-60.99	364.06	1.86	-59.13
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300024355401	0	41	0.0	-67.17	343.11	0.15	-67.02
CCCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024355410	0	44	0.0	-69.00	355.31	2.54	-66.46
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300024355413	0	45	0.0	-69.61	371.68	3.95	-65.66
CC(C)CCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024355415	0	50	0.0	-69.78	394.38	3.82	-65.96
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300024355431	0	42	0.0	-66.53	338.47	1.86	-64.67
C[NH+]1CCN(C2=NC=C3CN(C(=O)CSC4=NNC(=O)[N-]4)CCC3=N2)CC1	REAL300024355432	1	49	0.0	-70.51	396.76	3.80	-66.71
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024355461	0	52	0.0	-65.09	388.32	0.95	-64.14
O=C(CSC1=NNC(=O)[N-]1)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300024355479	0	41	0.0	-64.57	327.65	-0.21	-64.78
O=C(CSC1=NNC(=O)[N-]1)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300024355479	1	41	0.0	-67.57	335.71	-0.15	-67.72
CC[NH+](CC)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024355482	0	50	0.0	-68.68	407.86	5.47	-63.21
CC(CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024355512	0	44	0.0	-62.16	343.00	2.30	-59.86
CC(CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024355512	1	44	0.0	-69.05	346.58	3.22	-65.83
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024355515	0	42	0.0	-75.43	365.08	1.47	-73.96
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024355538	0	40	0.0	-62.98	318.12	-0.41	-63.39
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024355538	1	40	0.0	-65.33	317.84	-0.77	-66.10
CC1=[NH+]C2=CC(NNC(=O)CSC3=NNC(=O)[N-]3)=CC=C2N1	REAL300024355555	0	35	0.0	-62.95	315.97	0.28	-62.67
CN(CCC[NH+]1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024355558	1	42	0.0	-67.90	344.48	1.51	-66.39
C[NH+]1CCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C3=CN=CC=C32)CC1	REAL300024355576	0	49	0.0	-72.52	400.36	2.95	-69.57
COC(=O)[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1C[N@H+](C)CC2	REAL300024355598	0	45	0.0	-73.67	366.88	2.82	-70.85
COC(=O)[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1C[N@@H+](C)CC2	REAL300024355598	1	45	0.0	-78.45	364.86	2.65	-75.80
CC(C)C(CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024355601	0	43	0.0	-65.50	332.73	1.18	-64.32
C[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C1CCOCC1	REAL300024355627	0	42	0.0	-70.74	339.31	-0.23	-70.97
C[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C1CCOCC1	REAL300024355627	1	42	0.0	-70.76	339.31	-0.24	-71.00
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[NH+](C(C)(C)C)CC1	REAL300024355658	0	47	0.0	-65.41	355.36	3.58	-61.83
CO[C@@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[N@H+](CC2=CC=CC=C2)C1	REAL300024355661	0	49	0.0	-67.80	404.22	3.05	-64.75
CO[C@@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[N@@H+](CC2=CC=CC=C2)C1	REAL300024355661	1	49	0.0	-65.84	401.19	2.40	-63.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[NH+](C2CC2)CC1	REAL300024355676	0	42	0.0	-67.17	333.41	3.39	-63.78
O=C(CSC1=NNC(=O)[N-]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21	REAL300024355713	1	44	0.0	-64.98	346.78	-2.59	-67.57
O=C(CSC1=NNC(=O)[N-]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21	REAL300024355713	1	44	0.0	-67.33	344.60	-2.48	-69.81
CC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)[NH2+]1	REAL300024355733	0	44	0.0	-71.57	333.38	2.20	-69.37
COC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024355745	1	48	0.0	-74.41	408.64	3.89	-70.52
COC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024355745	1	48	0.0	-75.99	407.90	3.81	-72.18
CO[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[N@H+](CC2=CC=CC=C2)C1	REAL300024355748	0	49	0.0	-68.93	401.41	2.96	-65.97
CO[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[N@@H+](CC2=CC=CC=C2)C1	REAL300024355748	1	49	0.0	-68.71	401.12	2.39	-66.32
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[NH+](C2CC2)CC1	REAL300024355812	0	42	0.0	-67.17	333.41	3.39	-63.78
C[NH+]1CCN(C(=O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024355830	1	39	0.0	-74.90	329.59	-0.71	-75.61
C[NH+]1CC23CN(C(=O)CSC4=NNC(=O)[N-]4)CC2(C1)CCCC3	REAL300024355848	0	46	0.0	-64.89	354.65	3.51	-61.38
C[NH+](C)CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024355948	0	38	0.0	-69.52	343.57	2.05	-67.47
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC12CCOCC2	REAL300024355975	0	46	0.0	-63.00	336.28	1.90	-61.10
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC12CCOCC2	REAL300024355975	1	46	0.0	-62.99	336.28	1.90	-61.09
CC1=CC=CC=C1C(C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024356014	0	44	0.0	-69.85	365.99	4.31	-65.54
CCC[NH+](CCC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024356043	0	43	0.0	-68.03	346.21	1.69	-66.34
CC(C)[NH+]1CCN(C2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024356056	0	56	0.0	-64.94	412.52	2.03	-62.91
CC(C)N1CC[NH+](C2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024356056	1	56	0.0	-62.83	414.33	2.15	-60.68
COCC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C(C)C)CC1	REAL300024356057	0	56	0.0	-65.11	422.95	1.12	-63.99
C[NH+](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCOCC2	REAL300024356082	0	46	0.0	-73.79	347.45	1.46	-72.33
C[NH+](C)CCN1C=NC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024356087	0	37	0.0	-78.87	326.90	4.01	-74.86
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300024356106	1	43	0.0	-67.11	341.19	0.26	-66.85
CC[NH+](CC)CCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024356108	0	43	0.0	-67.32	348.78	2.29	-65.03
C[NH+]1CCN(C2=CC=C(CCNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024356112	0	50	0.0	-71.41	407.56	2.71	-68.70
CC1=CC=C(C(C[NH+](C)C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024356195	0	44	0.0	-61.07	367.58	3.66	-57.41
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(N2CCCCC2)=CC=[NH+]1	REAL300024356217	0	41	0.0	-61.37	338.21	1.55	-59.82
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300024356221	1	46	0.0	-57.70	369.05	5.80	-51.90
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300024356221	1	46	0.0	-56.51	362.96	5.26	-51.25
CC1C[N@H+](CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024356223	1	43	0.0	-71.15	350.38	-3.03	-74.18
CC1C[N@@H+](CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024356223	1	43	0.0	-71.17	350.47	-3.08	-74.25
COC(=O)C1CC([NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024356244	0	44	0.0	-64.59	354.21	3.15	-61.44
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024356266	0	44	0.0	-60.93	367.58	3.66	-57.27
CN(C(=O)CSC1=NNC(=O)[N-]1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300024356281	0	44	0.0	-69.40	361.62	4.76	-64.64
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024356316	0	42	0.0	-68.75	354.60	2.54	-66.21
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C[NH+]2CCCC2)CC1	REAL300024356341	0	45	0.0	-70.24	353.03	4.17	-66.07
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](CC(O)C2CC2)CC1	REAL300024356343	1	43	0.0	-70.86	347.65	0.93	-69.93
CCCC[N@@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024356378	0	44	0.0	-69.02	360.41	2.49	-66.53
CCCC[N@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024356378	1	44	0.0	-68.61	360.11	2.45	-66.16
CCC(C)[N@@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024356385	0	44	0.0	-66.99	354.01	2.12	-64.87
CCC(C)[N@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024356385	1	44	0.0	-67.28	354.52	2.04	-65.24
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)C[N@@H+]2C1CC1	REAL300024356386	0	40	0.0	-62.24	334.17	1.82	-60.42
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)C[N@H+]2C1CC1	REAL300024356386	1	40	0.0	-62.88	326.65	1.86	-61.02
CC(C)[N@@H+]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300024356430	1	48	0.0	-74.24	389.69	3.63	-70.61
CC(C)[N@H+]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300024356430	1	48	0.0	-75.08	400.08	4.49	-70.59
CC(C)(C)C1=CC=C(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[NH2+]2)C=C1	REAL300024356441	1	51	0.0	-74.02	404.06	4.74	-69.28
C[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)(C2=CC=CC=C2)CC1	REAL300024356443	0	45	0.0	-72.04	359.51	4.24	-67.80
C[N@@H+]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C1=CC=CC=C1	REAL300024356445	0	42	0.0	-69.35	345.47	2.58	-66.77
C[N@H+]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C1=CC=CC=C1	REAL300024356445	1	42	0.0	-69.26	353.73	3.31	-65.95
CC[N@H+](C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024356489	0	44	0.0	-70.62	344.72	3.67	-66.95
CC[N@@H+](C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024356489	1	44	0.0	-70.85	344.78	3.69	-67.16
O=C(CSC1=NNC(=O)[N-]1)N1CCC[NH+](CC2=CC=CC=C2)CCC1	REAL300024356499	0	48	0.0	-65.58	369.57	6.36	-59.22
O=C(CSC1=NNC(=O)[N-]1)NCC1=CN2C=[NH+]C=C2C=C1	REAL300024356526	0	33	0.0	-66.67	303.81	2.75	-63.92
C[C@@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300024356529	0	51	0.0	-68.33	391.00	4.21	-64.12
C[C@@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300024356529	1	51	0.0	-65.80	390.67	4.34	-61.46
O=C(CSC1=NNC(=O)[N-]1)NC[C@]1(CO)COC[C@H]2CCC[N@@H+]21	REAL300024356531	1	44	0.0	-66.92	344.44	-2.43	-69.35
O=C(CSC1=NNC(=O)[N-]1)NC[C@]1(CO)COC[C@H]2CCC[N@H+]21	REAL300024356531	1	44	0.0	-65.37	341.63	-2.85	-68.22
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024356569	0	42	0.0	-69.40	324.63	1.50	-67.90
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024356569	1	42	0.0	-69.62	324.83	1.48	-68.14
O=C(CSC1=NNC(=O)[N-]1)N1COC[C@@]2(COC[C@@H]3CCC[N@@H+]32)C1	REAL300024356570	1	45	0.0	-68.70	344.69	0.05	-68.65
O=C(CSC1=NNC(=O)[N-]1)N1COC[C@@]2(COC[C@@H]3CCC[N@H+]32)C1	REAL300024356570	1	45	0.0	-67.58	347.07	-0.07	-67.65
C[N@@H+]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300024356587	1	42	0.0	-73.34	362.03	3.09	-70.25
C[N@H+]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300024356587	1	42	0.0	-73.30	370.41	3.81	-69.49
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)CC[N@@H+]2C2CC2)=C1	REAL300024356597	1	50	0.0	-67.96	404.32	3.26	-64.70
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)CC[N@H+]2C2CC2)=C1	REAL300024356597	1	50	0.0	-67.61	410.86	3.91	-63.70
C[NH+](C)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024356645	0	39	0.0	-60.41	309.16	0.36	-60.05
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CCC[N@@H+]1C	REAL300024356651	0	48	0.0	-75.59	382.82	1.78	-73.81
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CCC[N@H+]1C	REAL300024356651	1	48	0.0	-76.30	377.96	1.24	-75.06
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024356661	0	51	0.0	-74.45	396.91	3.69	-70.76
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024356661	1	51	0.0	-69.19	391.54	3.14	-66.05
NC1=CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)=CC=[NH+]1	REAL300024356704	0	40	0.0	-65.23	351.68	0.64	-64.59
C[N@@H+]1CCC2=C(C=C(CNC(=O)CSC3=NNC(=O)[N-]3)C(=O)N2)C1	REAL300024356718	0	42	0.0	-89.71	359.07	-0.02	-89.73
C[N@H+]1CCC2=C(C=C(CNC(=O)CSC3=NNC(=O)[N-]3)C(=O)N2)C1	REAL300024356718	1	42	0.0	-89.64	359.08	-0.01	-89.65
CCC[N@@H+]1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024356798	0	44	0.0	-66.05	342.76	1.98	-64.07
CCC[N@H+]1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024356798	1	44	0.0	-64.30	347.22	2.66	-61.64
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300024356838	1	41	0.0	-69.57	357.65	2.14	-67.43
CC[NH+]1CCN(C2=C(Cl)C=CC=C2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024356839	1	47	0.0	-64.21	388.63	3.23	-60.98
O=C(CSC1=NNC(=O)[N-]1)N1COC[C@]2(COC[C@H]3CCC[N@@H+]32)C1	REAL300024356902	1	45	0.0	-59.02	341.81	0.56	-58.46
O=C(CSC1=NNC(=O)[N-]1)N1COC[C@]2(COC[C@H]3CCC[N@H+]32)C1	REAL300024356902	1	45	0.0	-68.76	345.28	-0.01	-68.77
CC[N@@H+]1CC[C@@H]2OCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024356938	0	43	0.0	-62.71	338.25	1.77	-60.94
CC[N@H+]1CC[C@@H]2OCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024356938	1	43	0.0	-52.82	324.10	2.09	-50.73
C[NH+](C)CC1=NC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C2N1	REAL300024356958	1	41	0.0	-77.32	354.78	1.32	-76.00
CC1=CC(N)=[NH+]C=C1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357011	0	44	0.0	-63.26	359.63	2.48	-60.78
C[N@@H+]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C1=CC=C(F)C=C1	REAL300024357035	1	42	0.0	-74.31	351.70	2.64	-71.67
C[N@H+]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C1=CC=C(F)C=C1	REAL300024357035	1	42	0.0	-74.24	360.09	3.36	-70.88
COC1=CC=C(C[N@H+](C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024357051	0	45	0.0	-74.95	378.14	2.00	-72.95
COC1=CC=C(C[N@@H+](C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024357051	1	45	0.0	-75.08	378.15	2.01	-73.07
O=C(CSC1=NNC(=O)[N-]1)N1CCC([NH+]2CC(O)C2)CC1	REAL300024357054	1	40	0.0	-70.85	328.46	-0.78	-71.63
NC1=CC=C(CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=[NH+]1	REAL300024357065	1	44	0.0	-65.76	363.08	2.64	-63.12
O=C(CSC1=NNC(=O)[N-]1)NC1CC([NH+]2CCCCC2)C1	REAL300024357069	0	42	0.0	-67.31	341.51	2.31	-65.00
C[NH+](C)CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357082	0	44	0.0	-69.48	347.26	2.90	-66.58
C[NH+]1CCC(NC(=O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357099	0	42	0.0	-73.03	354.08	-1.13	-74.16
CC1=C[NH+]=CC=C1N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357142	0	41	0.0	-66.74	343.38	1.94	-64.80
C[NH+](C)CC(=O)N[C@@H]1CC2=CC=CC=C2[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359239	0	49	0.0	-71.85	412.83	1.97	-69.88
[N-]=[N+]=NCC(=O)N[C@@H]1CC2=CC=CC=C2[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300024359244	0	43	0.0	-22.55	390.13	-2.40	-24.95
[N-]=[N+]=NCC(=O)N[C@@H]1C2=CC=CC=C2C[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300024359346	0	43	0.0	-23.78	390.11	-2.41	-26.19
C[NH+](C)CC(=O)N[C@@H]1C2=CC=CC=C2C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359359	0	49	0.0	-68.96	410.23	1.93	-67.03
CN(CC1CCCN1C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359535	0	52	0.0	-68.96	403.78	3.38	-65.58
CN(CC1CCCN1C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359535	1	52	0.0	-66.78	407.31	3.81	-62.97
CC1=[NH+]C=CN1CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359698	1	50	0.0	-65.76	414.26	4.49	-61.27
C[C@@H]1[C@H](C(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024359716	0	55	0.0	-73.62	420.85	3.82	-69.80
C[C@@H]1[C@H](C(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024359716	1	55	0.0	-77.84	425.45	4.35	-73.49
CN(CC1CCCN1C(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359736	0	55	0.0	-60.15	392.50	4.03	-56.12
CC(C)[C@@H](C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024359738	0	57	0.0	-57.60	400.70	5.88	-51.72
CN(CC1CCCN1C(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359747	0	55	0.0	-67.86	431.36	4.86	-63.00
CN(CC1CCCN1C(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359747	1	55	0.0	-67.40	432.36	4.87	-62.53
CN(CC1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359771	0	55	0.0	-73.65	425.78	4.30	-69.35
CN(CC1CCCN1C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359777	0	55	0.0	-49.47	394.64	4.04	-45.43
CN(CC1CCCN1C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359777	1	55	0.0	-66.26	425.40	4.46	-61.80
CC1=C[NH+]=CN1CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359794	1	50	0.0	-69.11	413.57	5.17	-63.94
CN(CC1CCCN1C(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359804	0	55	0.0	-72.40	432.22	4.52	-67.88
CN(CC1CCCN1C(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359804	1	55	0.0	-77.78	432.22	4.43	-73.35
CCC(C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024359807	0	54	0.0	-69.15	414.26	3.77	-65.38
CN(CC1CCCN1C(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359821	0	57	0.0	-79.37	450.65	5.02	-74.35
CC(C)C(C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024359824	0	57	0.0	-53.91	416.09	4.72	-49.19
CCC[N@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359825	0	57	0.0	-77.96	447.47	4.79	-73.17
CCC[N@@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359825	1	57	0.0	-78.02	447.47	4.78	-73.24
CCC[N@H+](C)CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359826	0	54	0.0	-69.83	425.45	4.29	-65.54
CCC[N@@H+](C)CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359826	1	54	0.0	-69.82	424.09	4.27	-65.55
CN(CC1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359841	0	52	0.0	-66.43	406.89	3.74	-62.69
CN(CC1CCCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359841	1	52	0.0	-74.21	403.41	3.33	-70.88
CC[NH+](CC)CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359853	0	54	0.0	-71.41	417.00	3.89	-67.52
CN(CC1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359907	0	55	0.0	-65.62	402.62	4.42	-61.20
CN(CC1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359929	0	55	0.0	-73.65	425.78	4.30	-69.35
CC(C)[C@H](C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024359944	0	57	0.0	-67.82	430.26	4.41	-63.41
CC[N@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359971	0	54	0.0	-77.40	425.88	4.05	-73.35
CC[N@@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359971	1	54	0.0	-77.30	425.88	4.05	-73.25
CC1CCC[N@@H+]1CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359981	0	55	0.0	-66.32	423.04	4.27	-62.05
CC1CCC[N@H+]1CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359981	1	55	0.0	-71.18	431.24	4.54	-66.64
CC1CC[N@H+](CC(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024359982	0	55	0.0	-68.95	430.92	4.61	-64.34
CC1CC[N@@H+](CC(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024359982	1	55	0.0	-69.10	430.56	4.62	-64.48
CC[C@@H](C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024359984	0	54	0.0	-50.13	393.13	3.97	-46.16
CN(CC1CCCN1C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360020	0	48	0.0	-73.61	385.29	2.83	-70.78
CN(CC1CCCN1C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360021	0	50	0.0	-66.72	416.09	6.38	-60.34
CN(CC1CCCN1C(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360024	0	55	0.0	-71.04	425.45	4.23	-66.81
CN(CC1CCCN1C(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360024	1	55	0.0	-43.69	397.73	4.64	-39.05
CC(C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024360031	0	52	0.0	-67.48	409.42	3.68	-63.80
CN(CC1CCCN1C(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360034	0	57	0.0	-53.56	411.14	4.52	-49.04
CN(CC1CCCN1C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360041	0	52	0.0	-70.56	415.15	4.19	-66.37
CN(CC1CCCN1C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360041	1	52	0.0	-67.14	414.00	4.25	-62.89
CN(CC1CCCN1C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360052	0	52	0.0	-75.14	416.73	3.69	-71.45
C[C@@H](C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024360064	0	51	0.0	-68.08	401.32	3.26	-64.82
CN(CC1CCCN1C(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024360071	0	42	0.0	-27.04	362.26	-1.57	-28.61
C[C@@H](C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024360102	0	51	0.0	-68.08	401.32	3.26	-64.82
CN(CC1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360105	0	55	0.0	-70.13	426.36	4.37	-65.76
CN(CC1CCCN1C(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360105	1	55	0.0	-63.79	394.98	4.61	-59.18
CN(CC1CCCN1C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360132	1	49	0.0	-69.98	395.54	3.36	-66.62
CN(CC1CCCN1C(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360141	0	53	0.0	-79.61	421.87	4.36	-75.25
CN(CC1CCCN1C(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360141	1	53	0.0	-51.06	406.85	4.86	-46.20
C[C@H](C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024360159	0	51	0.0	-68.58	399.62	3.20	-65.38
CC1C[NH+](CC(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024360175	1	52	0.0	-69.73	416.38	3.97	-65.76
CN(CC1CCCN1C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360188	1	52	0.0	-70.50	412.95	0.29	-70.21
CN(CC1CCCN1C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360188	1	52	0.0	-70.49	411.73	0.61	-69.88
CC(CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024360200	0	57	0.0	-80.31	442.23	4.84	-75.47
CC[N@H+](C)CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360202	0	51	0.0	-69.55	403.41	3.53	-66.02
CC[N@@H+](C)CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360202	1	51	0.0	-69.46	402.59	3.53	-65.93
CC[N@H+](CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024360212	0	55	0.0	-68.69	429.49	4.64	-64.05
CC[N@@H+](CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024360212	1	55	0.0	-54.66	404.67	5.21	-49.45
CC[NH+](CC)CCC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360218	0	57	0.0	-75.37	442.70	4.78	-70.59
CN(CC1CCCN1C(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360226	1	55	0.0	-69.65	435.63	4.45	-65.20
CN(CC1CCCN1C(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360233	0	52	0.0	-80.24	420.08	4.04	-76.20
CC(CCC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024360250	0	57	0.0	-79.57	438.28	4.60	-74.97
CC[N@@H+]1CCC1C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360254	1	52	0.0	-74.41	417.34	3.79	-70.62
CC[N@H+]1CCC1C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360254	1	52	0.0	-68.61	415.22	3.81	-64.80
C=CCC(C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024360275	0	55	0.0	-67.97	427.41	4.22	-63.75
CN(CC1CCCN1C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360283	0	53	0.0	-73.59	421.02	4.69	-68.90
CCCC(C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024360288	0	57	0.0	-48.72	409.39	4.56	-44.16
CN(CC1CCCN1C(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360290	0	54	0.0	-60.41	390.14	3.80	-56.61
CN(CC1CCCN1C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360300	0	55	0.0	-49.47	394.64	4.04	-45.43
CN(CC1CCCN1C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360300	1	55	0.0	-66.26	425.40	4.46	-61.80
CN(CC1CCCN1C(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360336	0	52	0.0	-69.94	406.58	3.46	-66.48
CN(CC1CCCN1C(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360337	0	55	0.0	-77.45	432.61	4.44	-73.01
CN(CC1CCCN1C(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360347	0	53	0.0	-60.99	399.46	4.41	-56.58
CN(CC1CCCN1C(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360347	1	53	0.0	-69.24	412.27	3.96	-65.28
CC(C[NH+](C)C)C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360382	0	54	0.0	-71.26	420.90	3.95	-67.31
CC(C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024360402	0	55	0.0	-46.74	409.02	4.73	-42.01
CC1CC[N@@H+]1CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360403	1	52	0.0	-67.85	410.61	3.71	-64.14
CC1CC[N@H+]1CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360403	1	52	0.0	-71.92	410.26	3.57	-68.35
CN(CC1CCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360434	0	55	0.0	-70.43	433.29	4.59	-65.84
CC(CC[NH+](C)C)C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360435	0	57	0.0	-71.34	442.58	4.58	-66.76
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024360604	0	52	0.0	-74.03	404.51	3.29	-70.74
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024360604	1	52	0.0	-55.62	382.60	3.51	-52.11
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300024360630	1	53	0.0	-88.96	419.77	3.08	-85.88
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300024360630	1	53	0.0	-72.90	399.21	4.21	-68.69
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300024360780	0	55	0.0	-79.78	432.08	4.38	-75.40
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300024360780	1	55	0.0	-74.19	431.57	4.47	-69.72
CCC(C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024360783	0	54	0.0	-70.44	411.94	3.65	-66.79
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300024360793	0	57	0.0	-73.62	449.85	5.08	-68.54
CC(C)C(C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024360796	0	57	0.0	-45.82	405.37	4.70	-41.12
CCC[N@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024360797	0	57	0.0	-78.53	447.37	4.80	-73.73
CCC[N@@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024360797	1	57	0.0	-78.22	446.89	4.82	-73.40
CCC[N@H+](C)CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024360798	0	54	0.0	-73.85	423.62	4.13	-69.72
CCC[N@@H+](C)CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024360798	1	54	0.0	-73.69	424.56	4.24	-69.45
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300024360837	0	55	0.0	-69.42	428.66	4.27	-65.15
CC[N@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024360843	0	54	0.0	-77.71	425.89	4.05	-73.66
CC[N@@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024360843	1	54	0.0	-77.60	425.88	4.04	-73.56
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024360865	0	55	0.0	-82.61	426.55	4.32	-78.29
CC(C)[C@H](C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024360880	0	57	0.0	-57.31	403.49	5.46	-51.85
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300024360902	0	55	0.0	-68.29	412.13	3.78	-64.51
CC1CCC[N@@H+]1CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024360926	0	55	0.0	-66.95	430.87	4.49	-62.46
CC1CCC[N@H+]1CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024360926	1	55	0.0	-49.35	412.94	4.69	-44.66
CC(C)[C@@H](C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024360937	0	57	0.0	-45.01	407.37	4.68	-40.33
CC1CC[N@H+](CC(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024360945	0	55	0.0	-69.39	431.14	4.48	-64.91
CC1CC[N@@H+](CC(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024360945	1	55	0.0	-73.85	432.38	4.58	-69.27
CC[C@@H](C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024360947	0	54	0.0	-45.26	392.54	3.86	-41.40
CC1=[NH+]C=CN1CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024360984	1	50	0.0	-52.03	401.63	5.00	-47.03
CC1=C[NH+]=CN1CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024361002	1	50	0.0	-74.44	415.33	5.10	-69.34
C[C@@H]1[C@H](C(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024361003	0	55	0.0	-74.85	413.72	3.93	-70.92
C[C@@H]1[C@H](C(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024361003	1	55	0.0	-72.40	419.52	4.16	-68.24
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300024361033	0	55	0.0	-71.31	431.94	4.84	-66.47
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300024361033	1	55	0.0	-68.06	431.30	4.82	-63.24
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024361039	0	55	0.0	-82.61	426.55	4.32	-78.29
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024361052	0	52	0.0	-71.12	408.50	3.71	-67.41
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024361052	1	52	0.0	-75.19	404.38	3.32	-71.87
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024361095	0	55	0.0	-44.02	394.79	4.16	-39.86
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024361095	1	55	0.0	-71.71	425.45	4.35	-67.36
CC1C(C(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024361124	0	55	0.0	-73.91	423.66	3.85	-70.06
CC1C(C(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024361124	1	55	0.0	-64.62	404.86	5.10	-59.52
C[C@@H](C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024361165	0	51	0.0	-73.55	401.15	3.15	-70.40
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024361183	0	55	0.0	-77.79	432.51	4.44	-73.35
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024361188	1	52	0.0	-74.53	413.42	0.26	-74.27
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024361188	1	52	0.0	-73.84	411.46	0.51	-73.33
CC1C[NH+](CC(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024361231	1	52	0.0	-49.47	398.38	4.81	-44.66
CC[N@H+](C)CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024361263	0	51	0.0	-49.13	387.92	4.09	-45.04
CC[N@@H+](C)CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024361263	1	51	0.0	-73.58	403.01	3.49	-70.09
CC(CCC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024361316	0	57	0.0	-73.28	438.17	4.63	-68.65
CC[N@H+](CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024361321	0	55	0.0	-66.55	433.00	4.89	-61.66
CC[N@@H+](CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024361321	1	55	0.0	-43.93	413.69	5.03	-38.90
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024361334	0	53	0.0	-81.96	410.41	4.03	-77.93
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C	REAL300024361334	1	53	0.0	-79.59	411.49	4.15	-75.44
CC(C[NH+](C)C)C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024361343	0	54	0.0	-65.76	421.68	3.95	-61.81
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300024361349	0	52	0.0	-58.07	391.36	4.13	-53.94
C[C@H](C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024361359	0	51	0.0	-57.59	378.56	4.08	-53.51
CC[N@@H+]1CCC1C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024361362	1	52	0.0	-69.14	414.57	3.73	-65.41
CC[N@H+]1CCC1C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024361362	1	52	0.0	-67.02	407.81	3.52	-63.50
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[NH+]=CC=C1N	REAL300024361373	0	48	0.0	-79.83	397.05	0.81	-79.02
CCCC(C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024361377	0	57	0.0	-70.72	435.82	4.67	-66.05
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024361380	0	54	0.0	-56.30	389.75	3.88	-52.42
CC(CC[NH+](C)C)C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024361389	0	57	0.0	-78.17	440.93	4.41	-73.76
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024361448	0	53	0.0	-74.49	421.18	4.66	-69.83
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024361456	0	55	0.0	-44.02	394.79	4.16	-39.86
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024361456	1	55	0.0	-71.71	425.45	4.35	-67.36
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024361481	0	53	0.0	-74.98	422.37	4.44	-70.54
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024361481	1	53	0.0	-80.29	423.78	4.35	-75.94
CN(CC1CCCN1C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024361488	0	42	0.0	-28.08	362.76	-1.61	-29.69
CCC1C[NH+](CC(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024361504	1	55	0.0	-51.84	421.44	4.99	-46.85
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024361509	0	52	0.0	-70.56	398.43	3.19	-67.37
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024361509	1	52	0.0	-44.41	386.23	3.84	-40.57
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024361549	0	55	0.0	-70.62	433.46	4.53	-66.09
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300024361590	0	55	0.0	-69.92	426.80	4.71	-65.21
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300024361591	0	55	0.0	-56.80	416.27	3.85	-52.95
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300024361591	1	55	0.0	-72.12	424.03	4.25	-67.87
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024361592	0	50	0.0	-72.57	416.33	6.29	-66.28
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024361602	0	52	0.0	-71.76	414.57	4.19	-67.57
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024361602	1	52	0.0	-70.75	415.05	4.20	-66.55
CC(CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024361610	0	57	0.0	-73.47	441.67	4.94	-68.53
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024361659	0	52	0.0	-47.74	400.10	4.55	-43.19
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024361666	0	48	0.0	-71.33	384.48	2.90	-68.43
C[C@@H](C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024361674	0	51	0.0	-73.55	401.15	3.15	-70.40
CC(C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024361688	0	55	0.0	-46.76	410.99	4.36	-42.40
CC1CC[N@@H+]1CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024361689	1	52	0.0	-68.70	416.54	3.94	-64.76
CC1CC[N@H+]1CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024361689	1	52	0.0	-52.10	405.33	4.36	-47.74
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024361691	0	52	0.0	-82.21	420.93	4.02	-78.19
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024361695	1	55	0.0	-74.74	436.20	4.35	-70.39
CC[NH+](CC)CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024361708	0	54	0.0	-68.86	420.91	4.19	-64.67
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024361713	1	49	0.0	-74.70	395.88	3.20	-71.50
CC[NH+](CC)CCC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024361731	0	57	0.0	-71.16	442.62	4.83	-66.33
CC(C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024361759	1	52	0.0	-55.97	394.93	4.15	-51.82
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300024361763	0	57	0.0	-68.95	419.09	3.94	-65.01
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024361783	0	55	0.0	-70.88	425.75	4.39	-66.49
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300024361783	1	55	0.0	-46.30	397.98	4.35	-41.95
C=CCC(C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024361802	0	55	0.0	-73.21	428.23	4.29	-68.92
CN(CC1CCCN1C(=O)CSC(N)=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024361825	0	46	0.0	-77.97	393.21	-0.15	-78.12
CCC1C[NH+](CC(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024361880	0	55	0.0	-70.60	437.56	4.69	-65.91
CN(CC1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024361884	0	52	0.0	-67.66	403.20	3.40	-64.26
CN(CC1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024361884	1	52	0.0	-70.24	408.45	3.64	-66.60
CN(CC1CCCN1C(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024361891	0	55	0.0	-73.75	427.60	4.66	-69.09
CC1C(C(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024361895	0	55	0.0	-68.81	422.91	3.96	-64.85
CC1C(C(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024361895	1	55	0.0	-81.83	420.85	3.85	-77.98
C[NH+](C)CC(=O)N1CCCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024361975	0	55	0.0	-74.56	431.27	4.26	-70.30
[N-]=[N+]=NCC(=O)N1CCCC(C2CCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300024361980	0	49	0.0	-25.57	408.18	-0.13	-25.70
[N-]=[N+]=NCC(=O)N1CCC(C2CCCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300024362044	0	49	0.0	-25.49	408.25	-0.09	-25.58
C[NH+](C)CC(=O)N1CCC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024362051	0	55	0.0	-73.86	431.29	4.31	-69.55
C[N@@H+]1CCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362250	0	49	0.0	-71.23	398.41	0.29	-70.94
C[N@H+]1CCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362250	1	49	0.0	-68.53	403.41	0.84	-67.69
C[N@@H+]1CCOC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024362274	1	50	0.0	-83.95	415.73	0.25	-83.70
C[N@H+]1CCOC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024362274	1	50	0.0	-76.02	408.70	0.04	-75.98
CC(C)[N@@H+]1CCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362418	0	55	0.0	-66.94	437.31	1.89	-65.05
CC(C)[N@H+]1CCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362418	1	55	0.0	-71.16	430.78	2.06	-69.10
CC1=[NH+]C=CN1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362441	1	47	0.0	-70.13	407.74	1.41	-68.72
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024362461	0	53	0.0	-79.29	419.51	1.60	-77.69
C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024362489	0	52	0.0	-73.61	415.92	0.98	-72.63
C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024362489	1	52	0.0	-74.17	420.37	1.31	-72.86
CC[C@@H]1[C@@H](C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024362491	0	55	0.0	-73.29	435.12	1.45	-71.84
CC[C@@H]1[C@@H](C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024362491	1	55	0.0	-70.33	439.49	1.96	-68.37
CC[N@@H+]1CCOC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024362496	1	53	0.0	-73.01	426.44	0.68	-72.33
CC[N@H+]1CCOC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024362496	1	53	0.0	-76.01	426.39	0.73	-75.28
CC1CCC(C)[NH+]1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362541	0	55	0.0	-69.84	435.48	1.82	-68.02
O=C(CCC[NH+]1CCCC1)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362543	0	55	0.0	-74.06	447.43	2.27	-71.79
O=C(CC[NH+]1CCCCC1)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362546	0	55	0.0	-74.41	441.89	2.20	-72.21
CC[N@@H+]1CCCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362549	0	55	0.0	-69.31	438.10	2.03	-67.28
CC[N@H+]1CCCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362549	1	55	0.0	-68.82	438.09	2.05	-66.77
C[NH+](C)C1(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024362559	0	52	0.0	-67.51	412.60	1.25	-66.26
CC(C)[C@@H](C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024362565	0	54	0.0	-70.83	426.13	1.51	-69.32
C[N@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024362583	0	52	0.0	-71.32	424.44	1.78	-69.54
C[N@@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024362583	1	52	0.0	-71.71	424.58	1.79	-69.92
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362637	1	51	0.0	-69.62	425.08	1.53	-68.09
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362637	1	51	0.0	-69.35	430.84	2.05	-67.30
C[N@@H+]1CCCC1CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362642	0	55	0.0	-74.13	445.92	2.25	-71.88
C[N@H+]1CCCC1CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362642	1	55	0.0	-73.00	440.15	1.82	-71.18
C[NH+]1CCC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024362658	0	52	0.0	-77.20	422.88	1.47	-75.73
C[N@@H+]1CCCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362685	0	52	0.0	-70.74	410.96	1.23	-69.51
C[N@H+]1CCCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362685	1	52	0.0	-69.83	420.28	1.40	-68.43
O=C(CC[NH+]1CCOCC1)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362738	1	53	0.0	-77.77	433.61	-0.20	-77.97
CC1=C[NH+]=CN1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362750	1	47	0.0	-73.20	407.04	2.11	-71.09
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024362766	0	53	0.0	-71.96	423.06	1.74	-70.22
C[N@@H+]1CCC(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024362771	0	52	0.0	-74.22	424.90	1.35	-72.87
C[N@H+]1CCC(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024362771	1	52	0.0	-73.86	424.64	1.37	-72.49
CCC(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024362777	0	51	0.0	-69.47	412.20	1.37	-68.10
C[NH+](C)CCCCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362824	0	54	0.0	-75.75	443.70	1.93	-73.82
CC(C)C(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024362835	0	54	0.0	-70.07	422.05	1.20	-68.87
CCC[N@H+](C)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362836	0	54	0.0	-75.68	439.93	1.76	-73.92
CCC[N@@H+](C)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362836	1	54	0.0	-75.66	439.93	1.77	-73.89
CCC[N@H+](C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362839	0	51	0.0	-73.55	417.57	1.21	-72.34
CCC[N@@H+](C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362839	1	51	0.0	-73.55	417.57	1.22	-72.33
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024362852	0	53	0.0	-74.21	419.95	1.04	-73.17
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024362852	1	53	0.0	-72.73	420.74	0.97	-71.76
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362874	0	49	0.0	-72.21	398.24	0.35	-71.86
C[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362874	1	49	0.0	-68.78	403.55	0.81	-67.97
CC[NH+](CC)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024362901	0	51	0.0	-71.80	409.93	0.88	-70.92
CC1CC[NH+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024362954	0	55	0.0	-73.96	441.29	2.29	-71.67
C[NH+](C)CC1(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024362972	0	52	0.0	-71.91	430.64	1.51	-70.40
C[NH+]1CCC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024363018	0	52	0.0	-77.20	422.88	1.47	-75.73
CC(C)[C@H](C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024363033	0	54	0.0	-71.17	427.57	1.98	-69.19
CCC(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024363060	0	57	0.0	-65.32	441.83	2.23	-63.09
CC[N@H+](C)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363090	0	51	0.0	-74.85	418.43	1.02	-73.83
CC[N@@H+](C)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363090	1	51	0.0	-74.76	418.43	1.02	-73.74
CC1CCC[N@@H+]1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363113	0	52	0.0	-68.41	417.12	1.13	-67.28
CC1CCC[N@H+]1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363113	1	52	0.0	-70.06	417.03	1.18	-68.88
CC1CC[N@H+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363114	0	52	0.0	-70.73	424.66	1.41	-69.32
CC1CC[N@@H+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363114	1	52	0.0	-70.96	424.54	1.52	-69.44
CC1(C)CC[N@H+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363116	0	55	0.0	-70.88	443.48	2.01	-68.87
CC1(C)CC[N@@H+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363116	1	55	0.0	-71.11	444.04	2.00	-69.11
C[N@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024363117	0	57	0.0	-73.55	446.17	2.21	-71.34
C[N@@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024363117	1	57	0.0	-73.27	448.48	2.37	-70.90
CC[C@@H](C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024363124	0	51	0.0	-70.65	408.99	0.80	-69.85
C[NH+](C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363196	0	45	0.0	-73.87	378.34	-0.20	-74.07
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[NH+]2CCCCCC2)C1	REAL300024363199	0	55	0.0	-72.71	429.30	1.85	-70.86
CN1C=C[N+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024363202	0	47	0.0	-69.94	409.66	3.27	-66.67
C[N@@H+]1CCCC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363206	0	52	0.0	-72.56	423.03	1.38	-71.18
C[N@H+]1CCCC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363206	1	52	0.0	-65.88	416.74	1.59	-64.29
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024363211	0	53	0.0	-74.11	431.24	1.89	-72.22
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024363211	1	53	0.0	-68.83	428.99	1.62	-67.21
CC(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024363223	1	49	0.0	-70.93	406.55	0.89	-70.04
CCC(CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024363227	0	57	0.0	-78.94	453.28	2.41	-76.53
C[NH+](C)CC(C)(C)C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363232	0	54	0.0	-73.60	425.54	1.48	-72.12
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[NH+]2CCC(O)CC2)C1	REAL300024363243	1	53	0.0	-77.29	431.15	-1.68	-78.97
C[N@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024363244	0	49	0.0	-71.08	407.75	1.21	-69.87
C[N@@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024363244	1	49	0.0	-70.63	407.61	1.20	-69.43
C[NH+]1CC(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363258	0	49	0.0	-74.45	409.78	0.62	-73.83
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363268	0	55	0.0	-69.07	422.37	1.33	-67.74
CC(C)(C)[N@H+]1CCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363268	1	55	0.0	-69.92	439.83	1.53	-68.39
C[C@@H](C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024363278	0	48	0.0	-71.80	396.45	0.20	-71.60
[N-]=[N+]=NCC(=O)NC1CC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024363285	0	39	0.0	-25.44	355.30	-4.60	-30.04
[NH2+]=C1SC=CN1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363327	0	45	0.0	-68.48	405.54	-0.07	-68.55
C[N@H+](CCO)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363332	0	52	0.0	-74.51	428.79	-2.20	-76.71
C[N@@H+](CCO)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363332	1	52	0.0	-74.34	428.74	-2.21	-76.55
C[C@@H](C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024363333	0	48	0.0	-71.80	396.45	0.20	-71.60
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363336	0	52	0.0	-71.18	410.93	1.23	-69.95
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363336	1	52	0.0	-67.95	420.40	1.36	-66.59
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[NH+]2CCC2)C1	REAL300024363381	1	46	0.0	-71.90	388.75	0.23	-71.67
C[N@@H+]1CCC(=CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363395	0	50	0.0	-76.53	417.20	1.34	-75.19
C[N@H+]1CCC(=CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363395	1	50	0.0	-76.55	417.18	1.35	-75.20
C[NH+](C)CCOCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363415	0	52	0.0	-73.33	434.21	0.85	-72.48
C=CCC(C)(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024363426	0	55	0.0	-66.93	433.75	1.82	-65.11
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363443	0	53	0.0	-76.14	426.33	-1.88	-78.02
CC1CN(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363460	0	49	0.0	-71.75	409.42	0.84	-70.91
CC1C[NH+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363460	1	49	0.0	-71.75	409.42	0.84	-70.91
CN(CCO)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363477	0	49	0.0	-74.14	406.42	-2.77	-76.91
C[N@H+](CCO)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363477	1	49	0.0	-73.71	406.20	-2.77	-76.48
C[N@@H+](CCO)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363477	1	49	0.0	-73.71	406.20	-2.77	-76.48
CC[N@@H+]1CCCC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363496	0	55	0.0	-70.76	440.71	2.03	-68.73
CC[N@H+]1CCCC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363496	1	55	0.0	-70.76	440.71	2.03	-68.73
CC(CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024363498	0	54	0.0	-77.49	435.48	1.78	-75.71
CC[N@H+](C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363501	0	48	0.0	-73.18	396.07	0.46	-72.72
CC[N@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024363525	0	52	0.0	-70.57	424.39	1.82	-68.75
CC[NH+](CC)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363533	0	54	0.0	-74.25	431.94	1.44	-72.81
CC1(C)CN(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363547	0	52	0.0	-73.65	428.91	1.42	-72.23
CC1(C)C[NH+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363547	1	52	0.0	-73.65	428.91	1.42	-72.23
CC1(O)CC[N@H+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363563	0	53	0.0	-72.21	434.81	-1.84	-74.05
C[NH+](C)CC=CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363566	0	49	0.0	-76.01	415.68	1.01	-75.00
COCCN(C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363579	0	52	0.0	-73.51	428.46	-0.37	-73.88
COCC[N@H+](C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363579	1	52	0.0	-74.42	428.68	-0.37	-74.79
COCC[N@@H+](C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363579	1	52	0.0	-74.42	428.68	-0.37	-74.79
C[NH+](C)C1(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024363596	0	55	0.0	-76.61	430.58	2.26	-74.35
CC(CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024363598	0	54	0.0	-76.44	431.69	1.54	-74.90
CCN1CCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363604	0	49	0.0	-70.66	410.16	0.78	-69.88
CC[N@@H+]1CCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363604	1	49	0.0	-70.16	400.81	0.54	-69.62
CC[N@H+]1CCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363604	1	49	0.0	-70.16	400.81	0.54	-69.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[N@H+]2CCCC2CO)C1	REAL300024363614	0	53	0.0	-70.59	431.66	-1.64	-72.23
C[NH+]1CCC(C)(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024363630	0	55	0.0	-71.82	435.66	1.84	-69.98
C=CCC(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024363646	0	52	0.0	-70.34	422.01	1.29	-69.05
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363653	0	55	0.0	-68.45	444.05	1.99	-66.46
C[N@H+]1CC(C)(C)CC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363653	1	55	0.0	-68.45	444.05	1.99	-66.46
C[NH+](C)CCCCCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363655	0	57	0.0	-75.12	465.20	2.72	-72.40
CCCC(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024363672	0	54	0.0	-72.21	432.46	1.71	-70.50
C[NH+](C)C(C)(C)C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363675	0	51	0.0	-76.73	405.81	0.98	-75.75
C[N@@H+]1CCCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363698	0	52	0.0	-69.83	420.28	1.40	-68.43
C[N@H+]1CC=C(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024363717	0	53	0.0	-70.95	437.48	2.13	-68.82
C[N@@H+]1CC=C(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024363717	1	53	0.0	-70.95	437.48	2.13	-68.82
O=C(C=CC[NH+]1CCCC1)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363747	0	53	0.0	-76.47	440.64	2.23	-74.24
O=C(CC[NH+]1CCCC1)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363774	0	52	0.0	-74.42	426.67	1.53	-72.89
C[N@@H+]1CC2CC1(C(=O)NC1CC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024363799	0	50	0.0	-76.55	408.55	1.12	-75.43
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024363804	0	53	0.0	-68.81	422.62	1.67	-67.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024363804	1	53	0.0	-68.81	422.62	1.67	-67.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)CN2CC3C=CC2C3)C1	REAL300024363839	0	51	0.0	-69.94	417.76	1.74	-68.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024363839	1	51	0.0	-69.93	417.75	1.74	-68.19
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024363839	1	51	0.0	-69.93	417.75	1.74	-68.19
CC(C[NH+](C)C)C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363869	0	51	0.0	-72.94	416.92	1.04	-71.90
C[N@@H+]1CCCCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363908	0	55	0.0	-66.24	430.17	1.81	-64.43
C[N@H+]1CCCCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363908	1	55	0.0	-66.24	430.17	1.81	-64.43
CC1CCN1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363919	0	49	0.0	-71.34	404.12	0.63	-70.71
CC1CC[N@@H+]1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363919	1	49	0.0	-69.53	404.85	0.64	-68.89
CC1CC[N@H+]1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363919	1	49	0.0	-69.53	404.85	0.64	-68.89
C[NH+](C)CC(O)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363921	0	52	0.0	-78.21	430.82	-1.17	-79.38
CC1CN(C)CC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024363938	0	53	0.0	-76.47	429.88	0.78	-75.69
CC1C[N@H+](C)CC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024363938	1	53	0.0	-81.97	437.02	0.94	-81.03
CC1C[N@@H+](C)CC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024363938	1	53	0.0	-81.97	437.02	0.94	-81.03
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024363976	0	52	0.0	-73.35	427.95	1.49	-71.86
CC(CC[NH+](C)C)C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024363980	0	54	0.0	-73.55	438.49	1.66	-71.89
CN1CCN(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024363995	0	54	0.0	-74.11	437.74	-0.68	-74.79
C[NH+]1CCN(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024363995	1	54	0.0	-74.11	437.74	-0.68	-74.79
C[N@@H+]1CCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364165	0	49	0.0	-71.02	398.26	0.35	-70.67
C[N@H+]1CCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364165	1	49	0.0	-70.53	398.50	0.31	-70.22
C[N@@H+]1CCOC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024364191	1	50	0.0	-82.48	415.88	0.21	-82.27
C[N@H+]1CCOC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024364191	1	50	0.0	-75.94	408.57	0.10	-75.84
O=C(CC[NH+]1CCOCC1)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364339	1	53	0.0	-75.72	433.61	-0.20	-75.92
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C23CCC[NH+]2CCC3)C1	REAL300024364347	0	53	0.0	-72.03	422.99	1.80	-70.23
C[N@@H+]1CCC(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024364370	0	52	0.0	-73.86	425.12	1.36	-72.50
C[N@H+]1CCC(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024364370	1	52	0.0	-74.46	424.66	1.40	-73.06
CCC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024364376	0	51	0.0	-69.54	408.85	0.79	-68.75
C[NH+](C)CCCCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364408	0	54	0.0	-74.44	443.70	1.94	-72.50
CC(C)C(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024364421	0	54	0.0	-69.07	426.12	1.51	-67.56
CCC[N@H+](C)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364422	0	54	0.0	-73.79	439.91	1.77	-72.02
CCC[N@@H+](C)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364422	1	54	0.0	-73.80	439.93	1.76	-72.04
CCC[N@H+](C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364425	0	51	0.0	-71.58	417.56	1.21	-70.37
CCC[N@@H+](C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364425	1	51	0.0	-71.56	417.57	1.22	-70.34
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024364438	0	53	0.0	-77.82	419.20	1.13	-76.69
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024364438	1	53	0.0	-78.97	419.32	1.09	-77.88
CC1CC[NH+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024364463	0	55	0.0	-71.74	441.29	2.29	-69.45
C[NH+](C)CC1(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024364500	0	52	0.0	-74.46	428.98	1.51	-72.95
CC[N@H+](C)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364517	0	51	0.0	-72.98	418.42	1.00	-71.98
CC[N@@H+](C)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364517	1	51	0.0	-73.07	418.43	1.01	-72.06
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024364529	0	53	0.0	-75.33	419.49	1.60	-73.73
C[NH+]1CCC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024364567	0	52	0.0	-75.64	422.90	1.46	-74.18
CC(C)[C@H](C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024364582	0	54	0.0	-69.35	421.95	1.33	-68.02
C[NH+](C)C1(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024364645	0	52	0.0	-68.03	412.59	1.25	-66.78
CCC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024364672	0	57	0.0	-65.91	440.93	1.82	-64.09
CC1CCC[N@@H+]1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364681	0	52	0.0	-68.27	417.03	1.16	-67.11
CC1CCC[N@H+]1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364681	1	52	0.0	-68.79	423.64	1.60	-67.19
CC(C)[N@@H+]1CCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364708	0	55	0.0	-69.32	431.12	2.08	-67.24
CC(C)[N@H+]1CCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364708	1	55	0.0	-66.97	437.29	1.92	-65.05
CC(C)[C@@H](C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024364715	0	54	0.0	-68.64	422.57	1.34	-67.30
CC1CC[N@H+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024364725	0	52	0.0	-70.59	424.52	1.45	-69.14
CC1CC[N@@H+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024364725	1	52	0.0	-71.11	423.81	1.43	-69.68
CC1(C)CC[N@H+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024364727	0	55	0.0	-71.34	443.63	2.00	-69.34
CC1(C)CC[N@@H+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024364727	1	55	0.0	-70.88	443.89	2.06	-68.82
C[N@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024364728	0	57	0.0	-71.51	446.17	2.21	-69.30
C[N@@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024364728	1	57	0.0	-71.21	448.12	2.35	-68.86
CC[C@@H](C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024364735	0	51	0.0	-68.73	408.75	0.80	-67.93
CC1=[NH+]C=CN1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364815	1	47	0.0	-68.90	407.77	1.41	-67.49
CC[N@@H+]1CCOC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024364858	1	53	0.0	-72.79	426.30	0.75	-72.04
CC[N@H+]1CCOC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024364858	1	53	0.0	-73.06	426.49	0.71	-72.35
CC1=C[NH+]=CN1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364878	1	47	0.0	-71.08	408.10	2.14	-68.94
C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024364883	0	52	0.0	-75.78	414.99	0.72	-75.06
C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024364883	1	52	0.0	-72.09	420.53	1.25	-70.84
CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024364885	0	55	0.0	-72.40	434.90	1.51	-70.89
CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024364885	1	55	0.0	-70.39	439.30	2.00	-68.39
CC1CCC(C)[NH+]1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364890	0	55	0.0	-67.81	435.48	1.82	-65.99
O=C(CCC[NH+]1CCCC1)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364892	0	55	0.0	-72.66	448.16	2.34	-70.32
O=C(CC[NH+]1CCCCC1)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364896	0	55	0.0	-72.47	442.34	2.23	-70.24
CC[N@@H+]1CCCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364899	0	55	0.0	-67.06	438.05	2.04	-65.02
CC[N@H+]1CCCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024364899	1	55	0.0	-67.62	438.07	2.04	-65.58
C[N@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024364979	0	52	0.0	-69.63	424.54	1.78	-67.85
C[N@@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024364979	1	52	0.0	-69.71	424.45	1.79	-67.92
C[NH+]1CCC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024365003	0	52	0.0	-75.64	422.90	1.46	-74.18
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365025	0	49	0.0	-71.11	398.24	0.35	-70.76
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365025	1	49	0.0	-68.61	404.63	0.87	-67.74
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365042	1	51	0.0	-68.89	424.93	1.56	-67.33
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365042	1	51	0.0	-69.02	430.69	2.09	-66.93
C[N@@H+]1CCCC1CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365047	0	55	0.0	-73.67	441.89	2.16	-71.51
C[N@H+]1CCCC1CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365047	1	55	0.0	-71.66	440.22	1.83	-69.83
C[N@@H+]1CCCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365110	0	52	0.0	-69.19	420.42	1.35	-67.84
C[N@H+]1CCCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365110	1	52	0.0	-69.42	410.98	1.22	-68.20
CC1C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024365159	0	52	0.0	-72.38	420.48	1.27	-71.11
CC1C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024365159	1	52	0.0	-70.58	419.64	0.95	-69.63
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365209	0	55	0.0	-68.36	439.75	1.47	-66.89
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365209	1	55	0.0	-68.53	425.01	0.59	-67.94
C[C@@H](C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024365222	0	48	0.0	-69.86	396.44	0.19	-69.67
C=CCC(C)(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024365234	0	55	0.0	-65.55	433.80	1.82	-63.73
O=C(CC[NH+]1CCCC1)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365246	0	52	0.0	-72.57	426.67	1.53	-71.04
C[N@H+](CCO)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365254	1	49	0.0	-71.88	406.42	-2.77	-74.65
C[N@@H+](CCO)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365254	1	49	0.0	-71.87	406.20	-2.77	-74.64
C[N@H+]1CC=C(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024365300	0	53	0.0	-72.06	437.59	2.09	-69.97
C[N@@H+]1CC=C(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024365300	1	53	0.0	-70.64	437.54	2.09	-68.55
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365318	0	53	0.0	-75.04	427.68	-2.11	-77.15
C[N@H+]1CC(O)CC1(C)C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365318	1	53	0.0	-76.29	425.98	-2.10	-78.39
CC1C[NH+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024365344	1	49	0.0	-71.51	409.61	0.89	-70.62
CC[N@@H+]1CCCC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024365350	0	55	0.0	-71.05	440.63	2.04	-69.01
CC[N@H+]1CCCC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024365350	1	55	0.0	-71.25	440.65	2.04	-69.21
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024365361	0	53	0.0	-69.58	430.90	1.76	-67.82
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024365361	1	53	0.0	-69.46	428.79	1.66	-67.80
O=C(C=CC[NH+]1CCCC1)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365382	0	53	0.0	-74.61	440.64	2.22	-72.39
CC[N@H+](C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365419	0	48	0.0	-71.16	396.07	0.47	-70.69
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)CN2CC3C=CC2C3)C1	REAL300024365448	0	51	0.0	-68.38	417.09	1.66	-66.72
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024365448	1	51	0.0	-69.96	418.07	1.74	-68.22
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024365448	1	51	0.0	-69.96	418.07	1.74	-68.22
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024365492	0	52	0.0	-76.90	414.79	-1.76	-78.66
COCCN(C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365523	0	52	0.0	-71.77	428.46	-0.37	-72.14
COCC[N@H+](C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365523	1	52	0.0	-72.14	428.67	-0.37	-72.51
COCC[N@@H+](C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365523	1	52	0.0	-72.14	428.67	-0.37	-72.51
CC(CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024365526	0	54	0.0	-74.71	431.98	1.53	-73.18
CC[N@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024365539	0	52	0.0	-68.68	424.69	1.78	-66.90
C[N@@H+]1CC2CC1(C(=O)NCC1CC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024365564	0	50	0.0	-71.30	410.84	0.73	-70.57
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024365571	0	53	0.0	-68.86	422.64	1.71	-67.15
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024365571	1	53	0.0	-68.86	422.64	1.71	-67.15
CC(C[NH+](C)C)C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365584	0	51	0.0	-72.71	416.74	1.08	-71.63
CCN1CCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365612	0	49	0.0	-70.50	402.29	0.63	-69.87
CC[N@@H+]1CCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365612	1	49	0.0	-70.80	410.18	0.76	-70.04
CC[N@H+]1CCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365612	1	49	0.0	-70.80	410.18	0.76	-70.04
CCC(C)(C)[NH2+]C(C)C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365618	0	57	0.0	-69.89	443.67	0.36	-69.53
CCCC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024365648	0	54	0.0	-69.59	430.24	1.58	-68.01
C[NH+](C)C(C)(C)C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365652	0	51	0.0	-74.26	406.04	0.92	-73.34
CC(CC[NH+](C)C)C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365665	0	54	0.0	-73.39	438.38	1.71	-71.68
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365713	0	55	0.0	-68.50	444.05	2.03	-66.47
C[N@H+]1CC(C)(C)CC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365713	1	55	0.0	-68.50	444.05	2.03	-66.47
C[NH+](C)CCCCCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365715	0	57	0.0	-74.12	465.20	2.73	-71.39
CN1CCN(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024365722	0	54	0.0	-72.45	437.37	-0.69	-73.14
C[NH+]1CCN(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024365722	1	54	0.0	-72.45	437.37	-0.69	-73.14
CC1CN(C)CC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024365763	0	53	0.0	-76.88	429.85	0.79	-76.09
CC1C[N@H+](C)CC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024365763	1	53	0.0	-81.78	437.00	0.94	-80.84
CC1C[N@@H+](C)CC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024365763	1	53	0.0	-81.78	437.00	0.94	-80.84
C[N@@H+]1CCCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365807	0	52	0.0	-69.42	410.98	1.22	-68.20
C[N@@H+]1CCC(=CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024365865	0	50	0.0	-75.90	416.29	1.33	-74.57
C[N@H+]1CCC(=CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024365865	1	50	0.0	-75.90	416.29	1.33	-74.57
O=C(CNC1=CC=[NH+]C=C1)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365867	0	48	0.0	-71.47	414.05	-0.93	-72.40
C[NH+](C)C1(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024365917	0	55	0.0	-74.66	430.80	2.23	-72.43
CCC1CN(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024365924	0	52	0.0	-72.30	431.00	1.66	-70.64
CCC1C[NH+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024365924	1	52	0.0	-72.30	431.00	1.66	-70.64
C[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024365933	0	49	0.0	-70.17	398.37	0.35	-69.82
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024366011	0	52	0.0	-73.06	427.87	1.52	-71.54
C[NH+](C)CCC1(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024366019	0	55	0.0	-76.81	452.78	2.36	-74.45
C[N@@H+]1CC=CCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366020	0	53	0.0	-66.07	424.59	1.75	-64.32
C[N@H+]1CC=CCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366020	1	53	0.0	-66.07	424.59	1.75	-64.32
C[NH+](C)CCOCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366048	0	52	0.0	-72.82	434.21	0.86	-71.96
[NH2+]=C1SC=CN1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366072	0	45	0.0	-68.47	405.39	-0.01	-68.48
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[NH+]2CCCCC2)C1	REAL300024366127	0	52	0.0	-70.92	420.04	1.67	-69.25
C[N@@H+]1CCCC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024366128	0	52	0.0	-72.82	422.97	1.38	-71.44
C[N@H+]1CCCC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024366128	1	52	0.0	-66.06	416.60	1.63	-64.43
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[NH+]2CCCCCC2)C1	REAL300024366129	0	55	0.0	-70.79	429.65	1.85	-68.94
CN1C=C[N+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024366132	0	47	0.0	-69.92	409.57	3.31	-66.61
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[NH+]2CCC(O)CC2)C1	REAL300024366151	1	53	0.0	-75.67	431.53	-1.67	-77.34
C[N@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024366152	0	49	0.0	-68.73	407.60	1.21	-67.52
C[N@@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024366152	1	49	0.0	-69.19	407.74	1.21	-67.98
CCOCC(N=[N+]=[N-])C(=O)NCC1CC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024366167	0	49	0.0	-24.58	431.51	-3.92	-28.50
CC(CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024366170	0	54	0.0	-73.81	435.52	1.80	-72.01
C[N@@H+]1CCOCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366187	1	53	0.0	-69.67	421.54	-0.56	-70.23
C[N@H+]1CCOCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366187	1	53	0.0	-68.54	421.58	-0.57	-69.11
CC1(O)CC[N@H+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024366248	0	53	0.0	-72.02	434.67	-1.80	-73.82
CC1(O)CC[N@@H+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024366248	1	53	0.0	-72.08	434.68	-1.85	-73.93
C[NH+]1CC(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024366269	0	49	0.0	-72.55	409.78	0.62	-71.93
C[NH+](C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366278	0	45	0.0	-71.98	378.34	-0.20	-72.18
C[N@H+](CCO)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366292	0	52	0.0	-72.97	428.78	-2.21	-75.18
C[N@@H+](CCO)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366292	1	52	0.0	-72.49	428.74	-2.20	-74.69
C[C@@H](C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024366293	0	48	0.0	-69.86	396.44	0.19	-69.67
C[N@@H+]1CCCCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366307	0	55	0.0	-66.59	430.16	1.82	-64.77
C[N@H+]1CCCCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366307	1	55	0.0	-74.17	437.66	1.96	-72.21
CC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024366317	1	52	0.0	-68.88	427.55	1.49	-67.39
CC1CC[N@@H+]1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366319	1	49	0.0	-69.86	404.24	0.57	-69.29
CC1CC[N@H+]1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366319	1	49	0.0	-70.90	409.78	0.84	-70.06
C[NH+](C)CC=CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366325	0	49	0.0	-75.78	415.56	1.05	-74.73
CC1(C)C[NH+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024366330	1	52	0.0	-71.66	428.75	1.38	-70.28
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[N@H+]2CCCC2CO)C1	REAL300024366364	0	53	0.0	-68.94	424.26	-1.69	-70.63
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[N@@H+]2CCCC2CO)C1	REAL300024366364	1	53	0.0	-71.32	428.09	-2.19	-73.51
CC[NH+](CC)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366366	0	51	0.0	-69.76	409.93	0.88	-68.88
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[NH+]2CCC2)C1	REAL300024366375	1	46	0.0	-71.73	388.43	0.22	-71.51
CC[NH+](CC)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366403	0	54	0.0	-72.39	431.94	1.44	-70.95
CC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024366453	1	49	0.0	-68.98	406.55	0.86	-68.12
CCC(CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024366458	0	57	0.0	-73.83	449.37	2.28	-71.55
C[NH+](C)CC(C)(C)C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366463	0	54	0.0	-69.12	427.48	1.66	-67.46
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366492	0	52	0.0	-69.93	411.05	1.18	-68.75
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366492	1	52	0.0	-68.73	420.30	1.39	-67.34
C[NH+](C)CC(O)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366511	0	52	0.0	-76.70	431.04	-1.20	-77.90
C=CCC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024366531	0	52	0.0	-69.97	422.05	1.31	-68.66
C[NH+]1CCC(C)(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024366542	0	55	0.0	-70.00	435.70	1.83	-68.17
NC(=[NH2+])SCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366563	0	43	0.0	-75.33	386.26	-3.25	-78.58
C[NH+](C)CCC1(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024366586	0	55	0.0	-77.19	452.72	2.37	-74.82
C[N@@H+]1CC=CCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366587	0	53	0.0	-74.95	429.63	1.81	-73.14
C[N@H+]1CC=CCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366587	1	53	0.0	-67.30	424.49	1.79	-65.51
CCC1CN(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024366668	0	52	0.0	-74.37	431.01	1.66	-72.71
CCC1C[NH+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024366668	1	52	0.0	-74.37	431.01	1.66	-72.71
C[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366673	0	49	0.0	-71.33	398.45	0.30	-71.03
CC1C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024366695	0	52	0.0	-74.18	420.38	1.29	-72.89
CC1C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024366695	1	52	0.0	-74.18	420.38	1.29	-72.89
CN1CCOCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366723	0	53	0.0	-79.23	428.90	-0.39	-79.62
C[N@@H+]1CCOCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366723	1	53	0.0	-69.39	421.53	-0.56	-69.95
C[N@H+]1CCOCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024366723	1	53	0.0	-69.39	421.53	-0.56	-69.95
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC[N@@H+]1C	REAL300024366935	0	48	0.0	-69.75	381.31	-0.04	-69.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CN(C)CCO1	REAL300024366959	0	49	0.0	-74.85	399.28	0.07	-74.78
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@H+](C)CCO1	REAL300024366959	1	49	0.0	-72.33	391.57	-0.30	-72.63
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@@H+](C)CCO1	REAL300024366959	1	49	0.0	-72.33	391.57	-0.30	-72.63
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)[NH+]1CCCCCC1	REAL300024367114	0	57	0.0	-68.08	432.38	2.19	-65.89
CC(C)[N@@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367116	0	57	0.0	-65.70	435.97	2.35	-63.35
CC(C)[N@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367116	1	57	0.0	-65.70	435.97	2.35	-63.35
CC(C)[N@@H+]1CCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367134	0	54	0.0	-69.61	409.00	1.37	-68.24
CC(C)[N@H+]1CCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367134	1	54	0.0	-69.61	409.00	1.37	-68.24
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024367149	0	55	0.0	-72.89	436.42	2.48	-70.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024367149	1	55	0.0	-72.89	436.42	2.48	-70.41
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367166	1	52	0.0	-66.64	434.64	2.52	-64.12
CC1=[NH+]C=CN1CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367189	1	46	0.0	-68.01	390.73	1.03	-66.98
CC(NC(=O)CCC[NH+]1CCCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367203	0	57	0.0	-72.80	446.34	2.60	-70.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300024367216	0	57	0.0	-69.25	436.97	2.70	-66.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[NH+]2CCC1CC2	REAL300024367224	0	52	0.0	-76.06	410.35	1.58	-74.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300024367257	0	55	0.0	-64.52	433.55	2.63	-61.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC2CCC[N@H+]21	REAL300024367257	1	55	0.0	-64.68	433.54	2.62	-62.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024367267	0	51	0.0	-73.81	398.84	0.61	-73.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024367267	1	51	0.0	-71.36	411.09	1.26	-70.10
CC[C@@H]1[C@@H](C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024367271	0	54	0.0	-72.30	425.94	1.45	-70.85
CC[C@@H]1[C@@H](C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024367271	1	54	0.0	-70.03	429.65	2.04	-67.99
CC[N@@H+]1CCOC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024367280	1	52	0.0	-71.63	409.37	0.33	-71.30
CC[N@H+]1CCOC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024367280	1	52	0.0	-80.91	416.45	0.50	-80.41
CC[NH+](CC)CC(F)C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367317	0	53	0.0	-71.51	430.92	1.67	-69.84
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1C(C)CCC1C	REAL300024367373	0	54	0.0	-67.37	426.03	1.66	-65.71
CC(NC(=O)CCC[NH+]1CCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367377	0	54	0.0	-72.55	431.12	1.94	-70.61
C#CC[NH+]1CCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024367381	0	53	0.0	-76.26	430.58	2.22	-74.04
CC(NC(=O)CC[NH+]1CCCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367382	0	54	0.0	-72.15	432.54	2.17	-69.98
CC[N@@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367386	0	54	0.0	-67.60	411.67	1.48	-66.12
CC[N@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367386	1	54	0.0	-67.77	421.08	1.65	-66.12
CC(C)C[N@@H+]1CCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024367398	0	57	0.0	-71.46	446.13	2.40	-69.06
CC(C)C[N@H+]1CCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024367398	1	57	0.0	-71.78	445.59	2.38	-69.40
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1([NH+](C)C)CCC1	REAL300024367401	0	51	0.0	-74.89	395.22	0.60	-74.29
CC(C)[N@@H+]1CCCC1CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367403	0	57	0.0	-65.09	440.51	1.92	-63.17
CC(C)[N@H+]1CCCC1CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367403	1	57	0.0	-69.89	440.73	2.05	-67.84
CC(C)[C@@H](C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024367413	0	53	0.0	-69.56	416.59	1.65	-67.91
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+](C)C1CCC1	REAL300024367448	0	51	0.0	-69.62	415.11	1.76	-67.86
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+](C)C1CCC1	REAL300024367448	1	51	0.0	-69.45	407.51	1.39	-68.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)[NH+]1C(C)CCC1C	REAL300024367489	0	57	0.0	-65.12	438.36	2.26	-62.86
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367539	1	50	0.0	-69.73	407.89	1.16	-68.57
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367539	1	50	0.0	-69.49	420.38	2.05	-67.44
CC(NC(=O)CCC1CCC[N@@H+]1C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367544	0	54	0.0	-70.88	430.93	1.79	-69.09
CC(NC(=O)CCC1CCC[N@H+]1C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367544	1	54	0.0	-75.02	428.68	1.90	-73.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CCC[NH+](CCC1)C2	REAL300024367551	0	55	0.0	-71.53	426.38	1.98	-69.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300024367554	0	55	0.0	-66.17	429.11	2.38	-63.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC2CCCC[N@H+]21	REAL300024367554	1	55	0.0	-65.94	436.76	2.70	-63.24
CC(NC(=O)CCCC[NH+]1CCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367568	0	57	0.0	-72.16	460.32	3.09	-69.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[NH+](C)CC1	REAL300024367577	0	51	0.0	-75.21	405.90	1.06	-74.15
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024367603	1	50	0.0	-79.03	419.39	0.38	-78.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC[N@@H+]1C	REAL300024367625	0	51	0.0	-68.15	410.94	1.38	-66.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC[N@H+]1C	REAL300024367625	1	51	0.0	-68.89	393.96	0.84	-68.05
CC(C)C[N@@H+]1CCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367642	0	57	0.0	-67.80	453.93	2.96	-64.84
CC(C)C[N@H+]1CCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367642	1	57	0.0	-67.85	453.74	2.97	-64.88
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024367723	0	46	0.0	-72.64	391.46	2.91	-69.73
CC1=[NH+]C=CN1CCCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367729	1	52	0.0	-68.95	439.97	2.68	-66.27
CC(NC(=O)CC[NH+]1CCOCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367733	1	52	0.0	-75.38	424.26	-0.21	-75.59
CC1=C[NH+]=CN1CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367755	1	46	0.0	-70.56	397.71	2.08	-68.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CCC[NH+]1CCC2	REAL300024367786	0	52	0.0	-72.71	406.02	1.40	-71.31
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC([NH+](C)C)C1	REAL300024367805	0	57	0.0	-66.96	441.31	2.45	-64.51
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1CC[N@H+](C)C1	REAL300024367807	0	51	0.0	-74.80	407.74	1.02	-73.78
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1CC[N@@H+](C)C1	REAL300024367807	1	51	0.0	-74.08	407.72	1.01	-73.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300024367817	0	50	0.0	-76.67	420.02	0.61	-76.06
CCC(C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024367821	0	50	0.0	-68.86	399.41	0.79	-68.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1([NH+](C)C)CCCC1	REAL300024367829	0	57	0.0	-74.45	425.12	1.83	-72.62
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024367859	1	46	0.0	-76.82	391.73	2.92	-73.90
CC(NC(=O)CCCC[NH+](C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367902	0	53	0.0	-73.45	434.36	1.92	-71.53
CC(C)C(C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024367918	0	53	0.0	-69.19	414.42	1.80	-67.39
CCC[N@H+](C)CCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367920	0	53	0.0	-73.40	430.60	1.73	-71.67
CCC[N@@H+](C)CCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367920	1	53	0.0	-73.41	430.60	1.74	-71.67
CCC[N@H+](C)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367925	0	50	0.0	-71.50	408.23	1.19	-70.31
CCC[N@@H+](C)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024367925	1	50	0.0	-71.71	400.52	0.82	-70.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CC[N@H+](C1)CCC2	REAL300024367945	0	52	0.0	-71.83	410.72	1.00	-70.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300024367945	1	52	0.0	-72.93	403.42	0.56	-72.37
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024367975	0	48	0.0	-68.31	394.79	0.81	-67.50
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H]1CCC[N@H+]1C	REAL300024367975	1	48	0.0	-69.70	381.30	-0.05	-69.75
CC[NH+](CC)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024368028	0	50	0.0	-69.55	405.09	1.14	-68.41
CCC[N@@H+]1CCCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024368059	0	57	0.0	-71.20	445.03	2.42	-68.78
CCC[N@H+]1CCCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024368059	1	57	0.0	-65.89	446.48	3.00	-62.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CCC(C)CC1	REAL300024368098	0	54	0.0	-71.87	431.95	2.28	-69.59
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1(C[NH+](C)C)CC1	REAL300024368130	0	51	0.0	-70.54	413.08	1.19	-69.35
CC(C)[NH+]1CCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024368189	0	57	0.0	-73.54	436.54	2.02	-71.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[NH+](C)CC1	REAL300024368204	0	51	0.0	-75.21	405.90	1.06	-74.15
CC(C)[C@H](C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024368222	0	53	0.0	-69.58	416.23	1.73	-67.85
CCC(C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024368252	0	56	0.0	-65.64	431.60	1.79	-63.85
CC[N@H+](C)CCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024368299	0	50	0.0	-72.61	409.09	0.99	-71.62
CC[N@@H+](C)CCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024368299	1	50	0.0	-72.64	409.10	0.99	-71.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CCCC1C	REAL300024368345	0	51	0.0	-69.08	406.64	1.21	-67.87
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CCCC1C	REAL300024368345	1	51	0.0	-68.12	407.65	1.15	-66.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CCC(C)C1	REAL300024368347	0	51	0.0	-70.76	406.71	1.10	-69.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CCC(C)C1	REAL300024368347	1	51	0.0	-70.56	414.36	1.46	-69.10
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024368351	0	54	0.0	-70.68	433.87	2.02	-68.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300024368351	1	54	0.0	-70.88	426.25	1.67	-69.21
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300024368352	0	56	0.0	-71.38	431.08	1.95	-69.43
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300024368352	1	56	0.0	-71.64	429.13	1.82	-69.82
CC[C@@H](C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024368360	0	50	0.0	-68.94	391.53	0.42	-68.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+](C)C	REAL300024368501	0	44	0.0	-71.89	369.00	-0.22	-72.11
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CCCCCC1	REAL300024368505	0	54	0.0	-70.78	420.08	1.83	-68.95
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N+]1=CN(C)C=C1	REAL300024368509	0	46	0.0	-68.98	400.23	3.29	-65.69
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC[N@H+](C)C1	REAL300024368515	0	51	0.0	-71.76	413.58	1.39	-70.37
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC[N@@H+](C)C1	REAL300024368515	1	51	0.0	-65.47	399.63	1.25	-64.22
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300024368520	0	52	0.0	-70.51	414.21	1.52	-68.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC[N@H+]1C1CC1	REAL300024368520	1	52	0.0	-68.44	413.62	1.41	-67.03
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)[NH+]1CCC1	REAL300024368543	1	48	0.0	-70.35	391.30	0.33	-70.02
CCC(CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024368547	0	56	0.0	-67.32	444.23	2.40	-64.92
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)(C)C[NH+](C)C	REAL300024368554	0	53	0.0	-67.54	416.52	1.47	-66.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024368568	0	53	0.0	-70.61	425.90	1.84	-68.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024368568	1	53	0.0	-70.33	417.98	2.63	-67.70
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CCC(O)CC1	REAL300024368576	1	52	0.0	-76.18	414.11	-2.07	-78.25
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+](C)C1CC1	REAL300024368577	0	48	0.0	-69.18	398.40	1.19	-67.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+](C)C1CC1	REAL300024368577	1	48	0.0	-69.08	398.40	1.19	-67.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)N1CC[NH+](C)CC1	REAL300024368578	1	56	0.0	-71.68	434.55	-0.75	-72.43
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1C[NH+](C)C1	REAL300024368596	0	48	0.0	-72.05	400.44	0.60	-71.45
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300024368600	0	55	0.0	-69.59	435.06	2.28	-67.31
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@H+]1C1CCCC1	REAL300024368600	1	55	0.0	-69.89	426.12	1.83	-68.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024368608	0	54	0.0	-67.57	430.51	1.52	-66.05
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300024368608	1	54	0.0	-68.69	409.65	1.25	-67.44
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H](C)[NH+](C)C	REAL300024368619	0	47	0.0	-70.53	379.40	-0.19	-70.72
CC(NC(=O)CN=[N+]=[N-])C(C)NC(=O)CSC1=NC(=O)NN1	REAL300024368626	0	38	0.0	-23.25	345.96	-4.62	-27.87
CCC1CCC[N@H+](CC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024368650	0	57	0.0	-71.64	449.97	2.90	-68.74
CCC1CCC[N@@H+](CC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024368650	1	57	0.0	-71.91	442.27	2.53	-69.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024368657	0	52	0.0	-79.67	435.84	0.95	-78.72
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN1C=CSC1=[NH2+]	REAL300024368698	0	44	0.0	-67.44	388.37	-0.41	-67.85
CC(NC(=O)CC[N@H+](C)CCO)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024368708	0	51	0.0	-72.55	419.44	-2.23	-74.78
CC(NC(=O)CC[N@@H+](C)CCO)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024368708	1	51	0.0	-72.09	419.39	-2.24	-74.33
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H](C)[NH+](C)C	REAL300024368709	0	47	0.0	-70.53	379.40	-0.19	-70.72
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024368713	0	51	0.0	-68.18	410.97	1.39	-66.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024368713	1	51	0.0	-68.86	393.94	0.84	-68.02
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300024368721	0	54	0.0	-76.25	414.10	-1.62	-77.87
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@H+]2CCN1CC2C	REAL300024368721	1	54	0.0	-75.73	420.34	-1.33	-77.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CCC1	REAL300024368781	1	45	0.0	-71.83	371.39	-0.17	-72.00
CC(NC(=O)C=C1CC[N@H+](C)C1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024368804	0	49	0.0	-74.58	406.88	1.36	-73.22
CC(NC(=O)C=C1CC[N@@H+](C)C1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024368804	1	49	0.0	-75.32	399.18	0.97	-74.35
CC(NC(=O)COCC[NH+](C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024368834	0	51	0.0	-71.17	424.87	0.83	-70.34
C=CCC(C)(C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024368853	0	54	0.0	-65.87	424.30	1.83	-64.04
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(O)CC[S+](C)C	REAL300024368857	0	50	0.0	-75.19	433.85	-0.58	-75.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024368882	0	52	0.0	-74.08	410.57	-2.43	-76.51
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300024368891	0	56	0.0	-69.76	438.97	-0.04	-69.80
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024368891	1	56	0.0	-69.76	438.97	-0.04	-69.80
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN1CC(C)C1	REAL300024368908	0	48	0.0	-71.76	392.56	0.51	-71.25
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CC(C)C1	REAL300024368908	1	48	0.0	-71.76	392.56	0.51	-71.25
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN(C)CCO	REAL300024368930	0	48	0.0	-72.51	389.38	-3.16	-75.67
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+](C)CCO	REAL300024368930	1	48	0.0	-71.75	396.86	-2.80	-74.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+](C)CCO	REAL300024368930	1	48	0.0	-71.75	396.86	-2.80	-74.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024368949	0	54	0.0	-78.62	408.18	-0.79	-79.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@H+]2CCN1CCC2	REAL300024368949	1	54	0.0	-78.62	408.18	-0.79	-79.41
CC[N@@H+]1CCCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024368954	0	54	0.0	-70.15	431.23	2.05	-68.10
CC[N@H+]1CCCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024368954	1	54	0.0	-70.15	431.23	2.05	-68.10
CC(CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024368956	0	53	0.0	-72.88	426.18	1.78	-71.10
CC[N@H+](C)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024368963	0	47	0.0	-71.39	379.02	0.07	-71.32
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300024368982	0	55	0.0	-65.92	414.92	2.04	-63.88
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CCC[N@H+]1CCCC2	REAL300024368982	1	55	0.0	-65.92	414.92	2.04	-63.88
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024368987	0	53	0.0	-68.84	415.63	2.29	-66.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300024368987	1	53	0.0	-68.84	415.63	2.29	-66.55
CC[N@H+](CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024369006	0	51	0.0	-69.89	410.39	1.69	-68.20
CC[NH+](CC)CCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369018	0	53	0.0	-71.70	426.95	1.69	-70.01
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024369059	0	52	0.0	-70.74	424.82	-1.82	-72.56
CC(NC(=O)C=CC[NH+](C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369066	0	48	0.0	-75.25	406.22	1.04	-74.21
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)OCC[NH+](C)C	REAL300024369083	0	54	0.0	-71.43	444.65	1.53	-69.90
CC(NC(=O)CCOCC[NH+](C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369090	0	54	0.0	-71.35	445.81	0.57	-70.78
COCCN(C)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369091	0	51	0.0	-71.61	419.11	-0.40	-72.01
COCC[N@H+](C)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369091	1	51	0.0	-72.74	411.62	-0.76	-73.50
COCC[N@@H+](C)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369091	1	51	0.0	-72.74	411.62	-0.76	-73.50
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1([NH+](C)C)CCCC1	REAL300024369115	0	54	0.0	-73.87	417.74	1.89	-71.98
CC(CCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024369118	0	53	0.0	-71.14	426.35	1.52	-69.62
CCN1CCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369124	0	48	0.0	-69.41	392.84	0.64	-68.77
CC[N@@H+]1CCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369124	1	48	0.0	-69.76	385.86	0.06	-69.70
CC[N@H+]1CCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369124	1	48	0.0	-69.76	385.86	0.06	-69.70
CC(C)[N@@H+]1CCCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024369132	0	57	0.0	-69.00	447.91	2.57	-66.43
CC(C)[N@H+]1CCCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024369132	1	57	0.0	-69.00	447.91	2.57	-66.43
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CCCC1CO	REAL300024369143	0	52	0.0	-70.19	423.78	-1.68	-71.87
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024369163	0	55	0.0	-70.92	436.50	2.54	-68.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024369163	1	55	0.0	-72.89	436.42	2.48	-70.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1(C)CC[NH+](C)CC1	REAL300024369169	0	54	0.0	-72.12	418.55	1.48	-70.64
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024369175	0	52	0.0	-75.27	435.39	1.10	-74.17
C=CCC(C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024369194	0	51	0.0	-68.16	412.66	1.27	-66.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024369203	0	54	0.0	-71.08	421.70	1.01	-70.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300024369203	1	54	0.0	-68.18	427.26	1.54	-66.64
CC(NC(=O)CCCCC[NH+](C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369206	0	56	0.0	-72.82	455.86	2.69	-70.13
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CC2CC2C1	REAL300024369213	0	49	0.0	-71.47	404.34	1.66	-69.81
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300024369236	0	54	0.0	-79.62	414.34	-1.60	-81.22
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300024369236	1	54	0.0	-71.63	399.30	-1.36	-72.99
CCCC(C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024369237	0	53	0.0	-69.71	420.91	1.56	-68.15
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)(C)[NH+](C)C	REAL300024369241	0	50	0.0	-72.32	396.46	0.94	-71.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC[N@@H+]1C	REAL300024369274	0	51	0.0	-68.15	410.94	1.38	-66.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC[N@H+]1C	REAL300024369274	1	51	0.0	-68.89	393.96	0.84	-68.05
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1=CC[N@H+](C)CC1	REAL300024369305	0	52	0.0	-70.58	428.14	2.10	-68.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300024369305	1	52	0.0	-69.47	420.42	1.73	-67.74
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1([NH+]2CCCC2)CC1	REAL300024369313	0	55	0.0	-68.66	426.39	2.15	-66.51
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024369350	1	51	0.0	-78.10	425.87	1.21	-76.89
CC(NC(=O)C=CC[NH+]1CCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369364	0	52	0.0	-75.06	421.85	1.70	-73.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300024369382	0	55	0.0	-72.57	435.15	2.48	-70.09
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1([NH+](C)C)CC1	REAL300024369399	0	48	0.0	-75.54	383.62	1.10	-74.44
CC(NC(=O)CC[NH+]1CCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369401	0	51	0.0	-72.16	417.32	1.50	-70.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[NH+]2CCN1CC2	REAL300024369433	0	51	0.0	-77.15	405.36	-1.76	-78.91
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024369441	0	49	0.0	-72.62	399.67	0.86	-71.76
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CC(C1)C[N@H+]2C	REAL300024369441	1	49	0.0	-71.99	399.94	0.92	-71.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300024369452	0	52	0.0	-68.83	405.18	1.31	-67.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CC2CCC1C2	REAL300024369452	1	52	0.0	-68.77	413.04	1.69	-67.08
CC(NC(=O)C=C1C[NH+]2CCC1CC2)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369488	0	53	0.0	-68.20	425.13	2.18	-66.02
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024369498	1	50	0.0	-69.85	401.27	1.40	-68.45
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300024369498	1	50	0.0	-69.93	400.52	1.40	-68.53
CC[NH+]1CCN(CC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024369524	0	56	0.0	-70.51	438.05	-0.40	-70.91
CC(C[NH+](C)C)C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369538	0	50	0.0	-72.28	407.40	1.05	-71.23
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1CCCC[N@@H+]1C	REAL300024369599	0	54	0.0	-66.21	413.06	1.47	-64.74
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1CCCC[N@H+]1C	REAL300024369599	1	54	0.0	-65.68	420.75	1.84	-63.84
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)[NH+]1CC(C)C1	REAL300024369613	1	51	0.0	-69.10	410.49	1.10	-68.00
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CCC1C	REAL300024369615	1	48	0.0	-69.12	394.79	0.60	-68.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CCC1C	REAL300024369615	1	48	0.0	-70.69	392.62	0.50	-70.19
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC(O)C[NH+](C)C	REAL300024369618	0	51	0.0	-75.89	421.59	-1.20	-77.09
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@H+](C)CC(C)O1	REAL300024369642	1	52	0.0	-81.99	412.61	0.16	-81.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300024369642	1	52	0.0	-81.91	420.31	0.54	-81.37
CCC[N@@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369651	0	57	0.0	-68.19	442.58	2.40	-65.79
CCC[N@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369651	1	57	0.0	-68.26	440.86	2.60	-65.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024369707	0	51	0.0	-71.56	410.85	1.13	-70.43
CC(CC[NH+](C)C)C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369714	0	53	0.0	-72.32	429.03	1.67	-70.65
C#CC[N@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369735	1	53	0.0	-67.61	436.25	2.58	-65.03
C#CC[N@@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369735	1	53	0.0	-68.50	419.15	2.03	-66.47
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN1CC[NH+](C)CC1	REAL300024369738	1	53	0.0	-71.86	420.69	-1.07	-72.93
CC[NH+]1CCN(CC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024369745	0	56	0.0	-70.51	438.05	-0.40	-70.91
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC[N@@H+]1C	REAL300024369915	0	48	0.0	-69.96	389.05	0.34	-69.62
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC[N@H+]1C	REAL300024369915	1	48	0.0	-69.75	381.31	-0.04	-69.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@H+](C)CCO1	REAL300024369941	1	49	0.0	-74.85	399.28	0.07	-74.78
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@@H+](C)CCO1	REAL300024369941	1	49	0.0	-72.33	391.57	-0.30	-72.63
CC1=[NH+]C=CN1CCCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370098	1	52	0.0	-68.95	439.97	2.68	-66.27
CC(NC(=O)CC[NH+]1CCOCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370102	1	52	0.0	-75.38	424.26	-0.21	-75.59
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CCC[NH+]1CCC2	REAL300024370120	0	52	0.0	-72.71	406.02	1.40	-71.31
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024370128	1	46	0.0	-76.82	391.73	2.92	-73.90
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC([NH+](C)C)C1	REAL300024370174	0	57	0.0	-66.96	441.31	2.45	-64.51
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1CC[N@H+](C)C1	REAL300024370176	0	51	0.0	-74.80	407.74	1.02	-73.78
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1CC[N@@H+](C)C1	REAL300024370176	1	51	0.0	-74.08	407.72	1.01	-73.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300024370186	0	50	0.0	-76.67	420.02	0.61	-76.06
CCC(C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024370190	0	50	0.0	-68.86	399.41	0.79	-68.07
CC(NC(=O)CCCC[NH+](C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370239	0	53	0.0	-73.45	434.36	1.92	-71.53
CC(C)C(C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024370257	0	53	0.0	-69.19	414.42	1.80	-67.39
CCC[N@H+](C)CCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370259	0	53	0.0	-73.40	430.60	1.73	-71.67
CCC[N@@H+](C)CCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370259	1	53	0.0	-73.41	430.60	1.74	-71.67
CCC[N@H+](C)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370264	0	50	0.0	-71.50	408.23	1.19	-70.31
CCC[N@@H+](C)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370264	1	50	0.0	-71.71	400.52	0.82	-70.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CC[N@H+](C1)CCC2	REAL300024370284	0	52	0.0	-71.83	410.72	1.00	-70.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300024370284	1	52	0.0	-72.93	403.42	0.56	-72.37
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CCC(C)CC1	REAL300024370333	0	54	0.0	-71.87	431.95	2.28	-69.59
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024370392	0	55	0.0	-70.92	436.50	2.54	-68.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024370392	1	55	0.0	-72.89	436.42	2.48	-70.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1(C[NH+](C)C)CC1	REAL300024370401	0	51	0.0	-70.54	413.08	1.19	-69.35
CC(C)[NH+]1CCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024370410	0	57	0.0	-73.54	436.54	2.02	-71.52
CC[N@H+](C)CCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370426	0	50	0.0	-72.61	409.09	0.99	-71.62
CC[N@@H+](C)CCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370426	1	50	0.0	-72.64	409.10	0.99	-71.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300024370445	0	57	0.0	-69.25	436.97	2.70	-66.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[NH+]2CCC1CC2	REAL300024370453	0	52	0.0	-76.06	410.35	1.58	-74.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[NH+](C)CC1	REAL300024370512	0	51	0.0	-75.21	405.90	1.06	-74.15
CC(C)[C@H](C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024370530	0	53	0.0	-69.58	416.23	1.73	-67.85
CC[NH+](CC)CC(F)C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370610	0	53	0.0	-71.51	430.92	1.67	-69.84
CC(C)C[N@@H+]1CCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024370636	0	57	0.0	-71.46	446.13	2.40	-69.06
CC(C)C[N@H+]1CCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024370636	1	57	0.0	-71.78	445.59	2.38	-69.40
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1([NH+](C)C)CCC1	REAL300024370639	0	51	0.0	-74.89	395.22	0.60	-74.29
CCC(C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024370669	0	56	0.0	-65.64	431.60	1.79	-63.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CCCC1C	REAL300024370685	0	51	0.0	-69.08	406.64	1.21	-67.87
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CCCC1C	REAL300024370685	1	51	0.0	-68.12	407.65	1.15	-66.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)[NH+]1CCCCCC1	REAL300024370730	0	57	0.0	-68.08	432.38	2.19	-65.89
CC(C)[N@@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370732	0	57	0.0	-65.71	435.97	2.34	-63.37
CC(C)[N@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370732	1	57	0.0	-65.70	435.97	2.35	-63.35
CC(C)[N@@H+]1CCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370750	0	54	0.0	-68.25	414.01	1.73	-66.52
CC(C)[N@H+]1CCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370750	1	54	0.0	-69.61	409.00	1.37	-68.24
CC(C)[N@@H+]1CCCC1CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370756	0	57	0.0	-65.09	440.51	1.92	-63.17
CC(C)[N@H+]1CCCC1CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370756	1	57	0.0	-69.89	440.73	2.05	-67.84
CC(C)[C@@H](C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024370766	0	53	0.0	-69.56	416.59	1.65	-67.91
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CCC(C)C1	REAL300024370784	0	51	0.0	-70.76	406.71	1.10	-69.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CCC(C)C1	REAL300024370784	1	51	0.0	-70.56	414.36	1.46	-69.10
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024370788	0	54	0.0	-70.68	433.87	2.02	-68.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300024370788	1	54	0.0	-70.88	426.25	1.67	-69.21
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300024370789	0	56	0.0	-71.38	431.08	1.95	-69.43
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300024370789	1	56	0.0	-71.64	429.13	1.82	-69.82
CC[C@@H](C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024370797	0	50	0.0	-68.94	391.53	0.42	-68.52
CC1=[NH+]C=CN1CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370956	1	46	0.0	-68.01	390.73	1.03	-66.98
CC(NC(=O)CCC[NH+]1CCCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024370970	0	57	0.0	-72.80	446.34	2.60	-70.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024370982	1	50	0.0	-79.03	419.39	0.38	-78.65
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371008	1	52	0.0	-66.64	434.64	2.52	-64.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300024371034	0	55	0.0	-64.52	433.55	2.63	-61.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC2CCC[N@H+]21	REAL300024371034	1	55	0.0	-64.68	433.54	2.62	-62.06
CC[N@@H+]1CCOC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024371047	1	52	0.0	-71.63	409.37	0.33	-71.30
CC[N@H+]1CCOC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024371047	1	52	0.0	-80.91	416.45	0.50	-80.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024371085	0	46	0.0	-72.64	391.46	2.91	-69.73
CC1=C[NH+]=CN1CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371089	1	46	0.0	-70.56	397.71	2.08	-68.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024371098	0	51	0.0	-73.81	398.84	0.61	-73.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024371098	1	51	0.0	-71.36	411.09	1.26	-70.10
CC[C@@H]1[C@@H](C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024371102	0	54	0.0	-72.30	425.94	1.45	-70.85
CC[C@@H]1[C@@H](C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024371102	1	54	0.0	-70.03	429.65	2.04	-67.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1C(C)CCC1C	REAL300024371112	0	54	0.0	-67.37	426.03	1.66	-65.71
CC(NC(=O)CCC[NH+]1CCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371116	0	54	0.0	-72.55	431.12	1.94	-70.61
C#CC[NH+]1CCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024371121	0	53	0.0	-76.26	430.58	2.22	-74.04
CC(NC(=O)CC[NH+]1CCCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371122	0	54	0.0	-72.15	432.54	2.17	-69.98
CC[N@@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371127	0	54	0.0	-67.60	411.67	1.48	-66.12
CC[N@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371127	1	54	0.0	-67.77	421.08	1.65	-66.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1([NH+](C)C)CCCC1	REAL300024371159	0	57	0.0	-74.45	425.12	1.83	-72.62
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+](C)C1CCC1	REAL300024371270	0	51	0.0	-69.62	415.11	1.76	-67.86
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+](C)C1CCC1	REAL300024371270	1	51	0.0	-69.45	407.51	1.39	-68.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)[NH+]1C(C)CCC1C	REAL300024371287	0	57	0.0	-65.12	438.36	2.26	-62.86
CC(NC(=O)CCCC[NH+]1CCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371298	0	57	0.0	-72.16	460.32	3.09	-69.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[NH+](C)CC1	REAL300024371307	0	51	0.0	-75.21	405.90	1.06	-74.15
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024371341	0	48	0.0	-68.31	394.79	0.81	-67.50
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H]1CCC[N@H+]1C	REAL300024371341	1	48	0.0	-69.70	381.30	-0.05	-69.75
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371360	1	50	0.0	-69.73	407.89	1.16	-68.57
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371360	1	50	0.0	-69.49	420.38	2.05	-67.44
CC(NC(=O)CCC1CCC[N@@H+]1C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371365	0	54	0.0	-70.88	430.93	1.79	-69.09
CC(NC(=O)CCC1CCC[N@H+]1C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371365	1	54	0.0	-75.02	428.68	1.90	-73.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CCC[NH+](CCC1)C2	REAL300024371372	0	55	0.0	-71.53	426.38	1.98	-69.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300024371375	0	55	0.0	-66.17	429.11	2.38	-63.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC2CCCC[N@H+]21	REAL300024371375	1	55	0.0	-65.94	436.76	2.70	-63.24
CCC[N@@H+]1CCCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024371434	0	57	0.0	-71.20	445.03	2.42	-68.78
CCC[N@H+]1CCCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024371434	1	57	0.0	-65.89	446.48	3.00	-62.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC[N@@H+]1C	REAL300024371467	0	51	0.0	-68.15	410.94	1.38	-66.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC[N@H+]1C	REAL300024371467	1	51	0.0	-68.89	393.96	0.84	-68.05
CC(C)C[N@@H+]1CCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371485	0	57	0.0	-67.80	453.93	2.96	-64.84
CC(C)C[N@H+]1CCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371485	1	57	0.0	-67.85	453.74	2.97	-64.88
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@H+](C)C1C	REAL300024371536	0	51	0.0	-71.26	411.12	1.24	-70.02
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@@H+](C)C1C	REAL300024371536	1	51	0.0	-74.76	404.42	0.69	-74.07
CC(NC(=O)CCC1CCCC[N@@H+]1C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371538	0	57	0.0	-73.81	442.95	2.51	-71.30
CC(NC(=O)CCC1CCCC[N@H+]1C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371538	1	57	0.0	-71.26	442.37	2.32	-68.94
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024371615	0	54	0.0	-67.57	430.51	1.52	-66.05
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300024371615	1	54	0.0	-68.69	409.65	1.25	-67.44
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H](C)[NH+](C)C	REAL300024371633	0	47	0.0	-70.53	379.40	-0.19	-70.72
C=CCC(C)(C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024371647	0	54	0.0	-65.87	424.30	1.83	-64.04
CC(NC(=O)CC[NH+]1CCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371667	0	51	0.0	-72.16	417.32	1.50	-70.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+](C)CCO	REAL300024371677	1	48	0.0	-72.51	389.38	-3.16	-75.67
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+](C)CCO	REAL300024371677	1	48	0.0	-71.75	396.86	-2.80	-74.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024371706	0	54	0.0	-78.65	408.14	-0.78	-79.43
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@H+]2CCN1CCC2	REAL300024371706	1	54	0.0	-78.62	408.18	-0.79	-79.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1=CC[N@H+](C)CC1	REAL300024371750	0	52	0.0	-70.58	428.14	2.10	-68.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300024371750	1	52	0.0	-69.47	420.42	1.73	-67.74
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(O)CC[S+](C)C	REAL300024371764	0	50	0.0	-75.19	433.85	-0.58	-75.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024371782	0	52	0.0	-75.17	415.43	-2.05	-77.22
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300024371782	1	52	0.0	-74.08	410.57	-2.43	-76.51
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300024371791	0	56	0.0	-69.75	439.11	-0.04	-69.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024371791	1	56	0.0	-69.76	438.97	-0.04	-69.80
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CC(C)C1	REAL300024371819	1	48	0.0	-71.76	392.56	0.51	-71.25
CC[N@@H+]1CCCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024371825	0	54	0.0	-65.12	417.26	1.91	-63.21
CC[N@H+]1CCCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024371825	1	54	0.0	-70.15	431.23	2.05	-68.10
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300024371840	0	52	0.0	-70.51	414.21	1.52	-68.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC[N@H+]1C1CC1	REAL300024371840	1	52	0.0	-68.44	413.62	1.41	-67.03
CC(NC(=O)C=CC[NH+]1CCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371875	0	52	0.0	-75.06	421.85	1.70	-73.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300024371893	0	55	0.0	-72.57	435.15	2.48	-70.09
CC[N@H+](C)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371930	0	47	0.0	-71.39	379.02	0.07	-71.32
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN1CC2C=CC1C2	REAL300024371973	0	50	0.0	-69.85	401.27	1.40	-68.45
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024371973	1	50	0.0	-69.93	400.52	1.40	-68.53
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300024371973	1	50	0.0	-69.93	400.52	1.40	-68.53
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300024372073	0	55	0.0	-65.92	414.92	2.04	-63.88
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CCC[N@H+]1CCCC2	REAL300024372073	1	55	0.0	-65.92	414.92	2.04	-63.88
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024372079	0	53	0.0	-68.84	415.63	2.29	-66.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300024372079	1	53	0.0	-68.84	415.63	2.29	-66.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)OCC[NH+](C)C	REAL300024372088	0	54	0.0	-71.43	444.65	1.53	-69.90
CC(NC(=O)CCOCC[NH+](C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372096	0	54	0.0	-71.35	445.81	0.57	-70.78
COCCN(C)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372098	0	51	0.0	-71.61	419.11	-0.40	-72.01
COCC[N@H+](C)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372098	1	51	0.0	-72.74	411.62	-0.76	-73.50
COCC[N@@H+](C)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372098	1	51	0.0	-72.74	411.62	-0.76	-73.50
CC(CCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024372103	0	53	0.0	-71.14	426.35	1.52	-69.62
CC[N@H+](CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024372123	0	51	0.0	-69.89	410.39	1.69	-68.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300024372136	0	54	0.0	-71.63	399.30	-1.36	-72.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024372156	0	49	0.0	-72.62	399.67	0.86	-71.76
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CC(C1)C[N@H+]2C	REAL300024372156	1	49	0.0	-71.99	399.94	0.92	-71.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300024372169	0	52	0.0	-68.83	405.18	1.31	-67.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CC2CCC1C2	REAL300024372169	1	52	0.0	-68.77	413.04	1.69	-67.08
CC(C[NH+](C)C)C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372188	0	50	0.0	-72.28	407.40	1.05	-71.23
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1([NH+](C)C)CC1	REAL300024372201	0	48	0.0	-75.54	383.62	1.10	-74.44
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@@H](C)[NH+](C)C	REAL300024372224	0	47	0.0	-69.60	379.46	-0.19	-69.79
CC[N@@H+]1CCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372230	1	48	0.0	-69.41	392.84	0.64	-68.77
CC[N@H+]1CCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372230	1	48	0.0	-69.76	385.86	0.06	-69.70
CC(C)[N@@H+]1CCCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024372240	0	57	0.0	-64.58	441.64	2.79	-61.79
CC(C)[N@H+]1CCCC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024372240	1	57	0.0	-69.00	447.91	2.57	-66.43
CCC(C)(C)[NH2+]C(C)C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372250	0	56	0.0	-69.75	431.98	0.33	-69.42
C#CC[N@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372287	1	53	0.0	-67.61	436.25	2.58	-65.03
C#CC[N@@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372287	1	53	0.0	-68.50	419.15	2.03	-66.47
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=C[NH+]=CC=C1N	REAL300024372289	0	44	0.0	-71.47	377.11	-1.72	-73.19
CCCC(C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024372298	0	53	0.0	-69.71	420.91	1.56	-68.15
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)(C)[NH+](C)C	REAL300024372305	0	50	0.0	-72.32	396.46	0.94	-71.38
CC(CC[NH+](C)C)C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372323	0	53	0.0	-72.32	429.03	1.67	-70.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024372375	0	53	0.0	-70.61	425.90	1.84	-68.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024372375	1	53	0.0	-70.33	417.98	2.63	-67.70
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024372402	0	54	0.0	-71.08	421.70	1.01	-70.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300024372402	1	54	0.0	-68.18	427.26	1.54	-66.64
CC(NC(=O)CCCCC[NH+](C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372405	0	56	0.0	-72.82	455.86	2.69	-70.13
CCC[N@@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372411	0	57	0.0	-68.19	442.58	2.40	-65.79
CCC[N@H+]1CCCCC1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372411	1	57	0.0	-68.26	440.86	2.60	-65.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN1CC[NH+](C)CC1	REAL300024372420	1	53	0.0	-71.86	420.69	-1.07	-72.93
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@H+](C)CC(C)O1	REAL300024372496	1	52	0.0	-81.99	412.61	0.16	-81.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300024372496	1	52	0.0	-81.91	420.31	0.54	-81.37
CCC1CCC[N@H+](CC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024372523	0	57	0.0	-71.64	449.97	2.90	-68.74
CCC1CCC[N@@H+](CC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024372523	1	57	0.0	-71.91	442.27	2.53	-69.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024372531	0	52	0.0	-79.67	435.84	0.95	-78.72
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CC2CC2C1	REAL300024372543	0	49	0.0	-71.47	404.34	1.66	-69.81
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1([NH+]2CCCC2)CC1	REAL300024372554	0	55	0.0	-68.66	426.39	2.15	-66.51
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC[N@@H+]1C	REAL300024372585	0	51	0.0	-68.15	410.94	1.38	-66.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCCC[N@H+]1C	REAL300024372585	1	51	0.0	-68.89	393.96	0.84	-68.05
CC(NC(=O)C=C1CC[N@H+](C)C1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372680	0	49	0.0	-74.58	406.88	1.36	-73.22
CC(NC(=O)C=C1CC[N@@H+](C)C1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372680	1	49	0.0	-75.32	399.18	0.97	-74.35
CC(NC(=O)CNC1=CC=[NH+]C=C1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372685	0	47	0.0	-71.55	397.01	-1.32	-72.87
CC(NC(=O)CN=[N+]=[N-])C(C)NC(=O)CSC1=NC(=O)NN1	REAL300024372725	0	38	0.0	-23.25	345.96	-4.62	-27.87
CC[NH+]1CCN(CC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024372732	0	56	0.0	-70.51	438.05	-0.40	-70.91
CC(NC(=O)C=C1C[NH+]2CCC1CC2)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372735	0	53	0.0	-68.20	425.13	2.18	-66.02
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1([NH+](C)C)CCCC1	REAL300024372765	0	54	0.0	-73.87	417.74	1.89	-71.98
CCC1C[NH+](CC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024372775	1	51	0.0	-72.23	421.65	1.64	-70.59
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1([NH+]2CCCC2)CCC1	REAL300024372778	0	55	0.0	-65.96	423.37	2.13	-63.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024372789	0	48	0.0	-70.52	388.96	0.33	-70.19
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024372789	1	48	0.0	-67.66	394.69	0.74	-66.92
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024372910	0	51	0.0	-71.56	410.85	1.13	-70.43
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC([NH+](C)C)CC1	REAL300024372921	0	57	0.0	-70.49	433.59	2.08	-68.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1(CC[NH+](C)C)CC1	REAL300024372922	0	54	0.0	-71.75	436.90	1.94	-69.81
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024372923	0	57	0.0	-68.67	441.29	2.46	-66.21
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1CC=CC[N@@H+]1C	REAL300024372924	0	52	0.0	-74.14	420.22	1.83	-72.31
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1CC=CC[N@H+]1C	REAL300024372924	1	52	0.0	-74.14	420.22	1.83	-72.31
CC(NC(=O)COCC[NH+](C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372974	0	51	0.0	-71.17	424.87	0.83	-70.34
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN1C=CSC1=[NH2+]	REAL300024373011	0	44	0.0	-67.44	388.37	-0.41	-67.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300024373075	0	54	0.0	-69.36	444.65	1.53	-67.83
CC(NC(=O)CC[NH+]1CCCCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373105	0	57	0.0	-73.92	443.02	2.40	-71.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CCCCC1	REAL300024373108	0	51	0.0	-71.29	403.40	1.30	-69.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC[N@H+](C)C1	REAL300024373110	0	51	0.0	-71.76	413.58	1.39	-70.37
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC[N@@H+](C)C1	REAL300024373110	1	51	0.0	-65.47	399.63	1.25	-64.22
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CCCCCC1	REAL300024373111	0	54	0.0	-70.78	420.08	1.83	-68.95
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N+]1=CN(C)C=C1	REAL300024373116	0	46	0.0	-68.98	400.23	3.29	-65.69
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024373131	1	51	0.0	-78.10	425.87	1.21	-76.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CCC(O)CC1	REAL300024373146	1	52	0.0	-76.18	414.11	-2.07	-78.25
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+](C)C1CC1	REAL300024373150	0	48	0.0	-69.18	398.40	1.19	-67.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+](C)C1CC1	REAL300024373150	1	48	0.0	-69.08	398.40	1.19	-67.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)N1CC[NH+](C)CC1	REAL300024373152	1	56	0.0	-71.68	434.55	-0.75	-72.43
CC(NC(=O)CC[N@@H+]1CCC(F)C1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373154	0	51	0.0	-77.09	423.61	1.59	-75.50
CC(NC(=O)CC[N@H+]1CCC(F)C1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373154	1	51	0.0	-78.03	422.31	1.53	-76.50
CCOCC(N=[N+]=[N-])C(=O)NC(C)C(C)NC(=O)CSC1=NC(=O)NN1	REAL300024373170	0	48	0.0	-22.99	422.17	-3.94	-26.93
CC(CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024373176	0	53	0.0	-72.88	426.18	1.78	-71.10
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@@H+]2CCOCC12	REAL300024373188	0	53	0.0	-74.65	427.95	0.08	-74.57
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@H+]2CCOCC12	REAL300024373188	1	53	0.0	-75.83	420.26	-0.31	-76.14
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1COCC[N@@H+]1C	REAL300024373204	1	52	0.0	-69.44	404.41	-0.92	-70.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1COCC[N@H+]1C	REAL300024373204	1	52	0.0	-76.99	419.63	-0.41	-77.40
CC[NH+]1CCN(CC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024373211	0	56	0.0	-70.51	438.05	-0.40	-70.91
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024373295	0	52	0.0	-70.67	424.98	-1.81	-72.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CCC(C)(O)C1	REAL300024373295	1	52	0.0	-70.74	424.82	-1.82	-72.56
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1C[NH+](C)C1	REAL300024373325	0	48	0.0	-72.05	400.44	0.60	-71.45
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300024373329	0	55	0.0	-69.59	435.06	2.28	-67.31
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@H+]1C1CCCC1	REAL300024373329	1	55	0.0	-69.89	426.12	1.83	-68.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+](C)C	REAL300024373337	0	44	0.0	-71.89	369.00	-0.22	-72.11
CC(NC(=O)CC[N@H+](C)CCO)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373361	0	51	0.0	-72.55	419.44	-2.23	-74.78
CC(NC(=O)CC[N@@H+](C)CCO)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373361	1	51	0.0	-72.09	419.39	-2.24	-74.33
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H](C)[NH+](C)C	REAL300024373362	0	47	0.0	-70.53	379.40	-0.19	-70.72
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1CCCC[N@@H+]1C	REAL300024373379	0	54	0.0	-66.21	413.06	1.47	-64.74
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1CCCC[N@H+]1C	REAL300024373379	1	54	0.0	-65.68	420.75	1.84	-63.84
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)[NH+]1CC(C)C1	REAL300024373396	1	51	0.0	-69.10	410.49	1.10	-68.00
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CCC1C	REAL300024373398	1	48	0.0	-69.12	394.79	0.60	-68.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CCC1C	REAL300024373398	1	48	0.0	-70.69	392.62	0.50	-70.19
CC(NC(=O)C=CC[NH+](C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373409	0	48	0.0	-75.25	406.22	1.04	-74.21
CC1=C(C)[NH+]=C(CCC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024373432	1	52	0.0	-66.84	439.23	1.06	-65.78
CC(NC(=O)CSCC[NH+](C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373449	0	51	0.0	-76.29	435.89	1.71	-74.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@@H+]1CCCC1CO	REAL300024373471	0	52	0.0	-70.63	415.38	-2.09	-72.72
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[N@H+]1CCCC1CO	REAL300024373471	1	52	0.0	-70.19	423.78	-1.68	-71.87
CC[NH+](CC)CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373475	0	50	0.0	-69.55	405.09	1.14	-68.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CCC1	REAL300024373485	1	45	0.0	-71.83	371.39	-0.17	-72.00
CC[NH+](CC)CCC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373523	0	53	0.0	-71.70	426.95	1.69	-70.01
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024373577	0	52	0.0	-75.27	435.39	1.10	-74.17
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300024373597	0	53	0.0	-72.98	427.74	0.12	-72.86
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2COCC[N@H+]2C1	REAL300024373597	1	53	0.0	-70.59	419.69	-0.24	-70.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)[NH+]1CCC1	REAL300024373607	1	48	0.0	-70.35	391.30	0.33	-70.02
CCC(CC(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024373612	0	56	0.0	-67.32	444.23	2.40	-64.92
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(C)(C)C[NH+](C)C	REAL300024373620	0	53	0.0	-67.54	416.52	1.47	-66.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024373670	0	51	0.0	-68.18	410.97	1.39	-66.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024373670	1	51	0.0	-68.86	393.94	0.84	-68.02
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300024373682	0	54	0.0	-76.25	414.10	-1.62	-77.87
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1C[N@H+]2CCN1CC2C	REAL300024373682	1	54	0.0	-75.73	420.34	-1.33	-77.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC(O)C[NH+](C)C	REAL300024373702	0	51	0.0	-75.89	421.59	-1.20	-77.09
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300024373704	0	55	0.0	-68.43	403.77	1.84	-66.59
C=CCC(C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024373732	0	51	0.0	-68.16	412.66	1.27	-66.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024373738	0	55	0.0	-70.92	436.50	2.54	-68.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024373738	1	55	0.0	-72.89	436.42	2.48	-70.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1(C)CC[NH+](C)CC1	REAL300024373749	0	54	0.0	-72.12	418.55	1.48	-70.64
CC(NC(=O)CSC(N)=[NH2+])C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373774	0	42	0.0	-72.73	376.91	-3.28	-76.01
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CCC([NH+](C)C)CC1	REAL300024373810	0	57	0.0	-70.49	433.59	2.08	-68.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1(CC[NH+](C)C)CC1	REAL300024373811	0	54	0.0	-71.75	436.90	1.94	-69.81
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024373812	0	57	0.0	-68.67	441.29	2.46	-66.21
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1CC=CC[N@@H+]1C	REAL300024373813	0	52	0.0	-74.14	420.22	1.83	-72.31
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1CC=CC[N@H+]1C	REAL300024373813	1	52	0.0	-74.14	420.22	1.83	-72.31
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300024373834	0	54	0.0	-69.36	444.65	1.53	-67.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300024373857	0	55	0.0	-68.43	403.77	1.84	-66.59
CCC1C[NH+](CC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024373947	1	51	0.0	-72.23	421.65	1.64	-70.59
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1([NH+]2CCCC2)CCC1	REAL300024373949	0	55	0.0	-65.96	423.37	2.13	-63.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024373956	1	48	0.0	-67.66	394.69	0.74	-66.92
CC(NC(=O)CC[N@H+]1CCC(F)C1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373963	1	51	0.0	-78.03	422.31	1.53	-76.50
CC(NC(=O)CC[NH+]1CCCCCC1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373977	0	57	0.0	-73.92	443.02	2.40	-71.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C[NH+]1CCCCC1	REAL300024373979	0	51	0.0	-71.29	403.40	1.30	-69.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@H+](C)C1C	REAL300024373987	0	51	0.0	-71.26	411.12	1.24	-70.02
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@@H+](C)C1C	REAL300024373987	1	51	0.0	-74.76	404.42	0.69	-74.07
CC(NC(=O)CCC1CCCC[N@@H+]1C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373989	0	57	0.0	-73.81	442.95	2.51	-71.30
CC(NC(=O)CCC1CCCC[N@H+]1C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024373989	1	57	0.0	-71.26	442.37	2.32	-68.94
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@@H+]2CCOCC12	REAL300024374010	0	53	0.0	-74.65	427.95	0.08	-74.57
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC[N@H+]2CCOCC12	REAL300024374010	1	53	0.0	-75.83	420.26	-0.31	-76.14
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1COCCN1C	REAL300024374026	0	52	0.0	-76.99	419.63	-0.41	-77.40
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1COCC[N@@H+]1C	REAL300024374026	1	52	0.0	-69.44	404.41	-0.92	-70.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1COCC[N@H+]1C	REAL300024374026	1	52	0.0	-76.99	419.63	-0.41	-77.40
CC1=C(C)[NH+]=C(CCC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024374033	1	52	0.0	-66.84	439.23	1.06	-65.78
CCOCC(N=[N+]=[N-])C(=O)NC(C)C(C)NC(=O)CSC1=NC(=O)NN1	REAL300024374037	0	48	0.0	-22.99	422.17	-3.94	-26.93
CC(NC(=O)CSCC[NH+](C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024374101	0	51	0.0	-76.29	435.89	1.71	-74.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300024374107	0	53	0.0	-72.98	427.74	0.12	-72.86
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1CC2COCC[N@H+]2C1	REAL300024374107	1	53	0.0	-70.59	419.69	-0.24	-70.83
CN(C(=O)C1CCC[N@@H+]1C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374208	0	55	0.0	-69.89	425.07	2.69	-67.20
CN(C(=O)C1CCC[N@H+]1C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374208	1	55	0.0	-67.72	426.26	3.42	-64.30
CCC(C(=O)N(C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024374308	0	57	0.0	-69.97	430.64	3.60	-66.37
CCC[N@H+](C)CC(=O)N(C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374313	0	57	0.0	-72.17	444.99	3.57	-68.60
CCC[N@@H+](C)CC(=O)N(C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374313	1	57	0.0	-72.16	444.99	3.56	-68.60
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374321	0	55	0.0	-69.36	415.91	2.99	-66.37
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374321	1	55	0.0	-71.19	409.99	2.66	-68.53
CC[NH+](CC)CC(=O)N(C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374326	0	57	0.0	-68.99	432.91	3.65	-65.34
CC[N@H+](C)CCC(=O)N(C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374382	0	57	0.0	-72.63	441.43	3.83	-68.80
CC[N@@H+](C)CCC(=O)N(C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374382	1	57	0.0	-72.70	441.43	3.82	-68.88
CC[C@@H](C(=O)N(C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024374385	0	57	0.0	-73.80	431.59	3.55	-70.25
CN(C(=O)C[NH+](C)C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374403	0	51	0.0	-71.39	401.34	2.57	-68.82
CC(C(=O)N(C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024374407	1	55	0.0	-73.10	427.96	3.38	-69.72
CN(C(=O)C[N@H+](C)C1CC1)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374413	0	55	0.0	-68.36	430.74	3.98	-64.38
CN(C(=O)C[N@@H+](C)C1CC1)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374413	1	55	0.0	-68.12	430.60	3.98	-64.14
CN(C(=O)CC1C[NH+](C)C1)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374419	0	55	0.0	-71.91	432.78	3.43	-68.48
C[C@@H](C(=O)N(C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024374426	0	54	0.0	-70.70	420.75	2.47	-68.23
CN(C(=O)CN=[N+]=[N-])C1CCC(NC(=O)CSC2=NC(=O)NN2)CC1	REAL300024374429	0	45	0.0	-24.43	378.29	-1.82	-26.25
C[C@@H](C(=O)N(C)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024374447	0	54	0.0	-70.70	420.75	2.47	-68.23
CN(C(=O)C[NH+]1CCC1)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374465	1	52	0.0	-71.15	411.43	2.99	-68.16
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CC[N@H+](C)CCC(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024375833	0	56	0.0	-74.07	432.95	3.17	-70.90
CC[N@@H+](C)CCC(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024375833	1	56	0.0	-74.11	432.95	3.14	-70.97
CC1CCC[N@@H+]1CC(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024375841	0	57	0.0	-69.33	438.88	3.55	-65.78
CC1CCC[N@H+]1CC(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024375841	1	57	0.0	-69.08	431.55	3.25	-65.83
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CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024376032	1	54	0.0	-72.82	420.76	-0.70	-73.52
CC[N@H+](C)CC(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024376044	0	53	0.0	-71.92	410.57	2.56	-69.36
CC[N@@H+](C)CC(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024376044	1	53	0.0	-72.01	410.58	2.56	-69.45
CC[N@H+](CC(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024376054	0	57	0.0	-68.39	438.09	3.69	-64.70
CC[N@@H+](CC(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024376054	1	57	0.0	-69.57	438.84	3.89	-65.68
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024376066	1	57	0.0	-72.78	443.45	3.49	-69.29
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024376073	0	54	0.0	-76.74	429.25	3.15	-73.59
CC[N@@H+]1CCC1C(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024376090	1	54	0.0	-71.82	422.87	2.74	-69.08
CC[N@H+]1CCC1C(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024376090	1	54	0.0	-70.04	413.38	2.43	-67.61
C=CCC(C(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024376109	0	57	0.0	-68.68	431.44	3.17	-65.51
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024376116	0	55	0.0	-72.39	428.19	3.76	-68.63
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024376121	0	56	0.0	-74.91	410.03	2.55	-72.36
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024376131	0	57	0.0	-68.77	433.42	3.41	-65.36
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024376131	1	57	0.0	-68.28	431.27	3.42	-64.86
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300024376163	0	54	0.0	-74.35	413.65	2.60	-71.75
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024376164	0	57	0.0	-73.52	441.17	3.66	-69.86
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024376174	0	55	0.0	-75.13	417.32	3.11	-72.02
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C	REAL300024376174	1	55	0.0	-75.05	417.77	3.22	-71.83
CC(C[NH+](C)C)C(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024376208	0	56	0.0	-73.88	426.34	2.89	-70.99
CC(C(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024376227	0	57	0.0	-69.64	434.58	3.25	-66.39
CC1CC[N@@H+]1CC(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024376228	1	54	0.0	-70.20	418.64	2.72	-67.48
CC1CC[N@H+]1CC(=O)N(C)CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024376228	1	54	0.0	-70.28	418.62	2.68	-67.60
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024376256	0	57	0.0	-73.22	442.12	3.65	-69.57
CN(CC(C)(C)CNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376416	0	54	0.0	-70.86	412.87	2.52	-68.34
CN(CC(C)(C)CNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376416	1	54	0.0	-67.87	419.18	3.01	-64.86
CN(CC(C)(C)CNC(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376583	0	57	0.0	-73.18	439.16	3.56	-69.62
CN(CC(C)(C)CNC(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376583	1	57	0.0	-74.39	439.38	3.57	-70.82
CCC(C(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024376586	0	56	0.0	-68.38	423.51	2.97	-65.41
CCC[N@H+](C)CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376598	0	56	0.0	-70.48	432.08	3.39	-67.09
CCC[N@@H+](C)CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376598	1	56	0.0	-70.56	432.07	3.36	-67.20
CN(CC(C)(C)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376634	0	57	0.0	-74.35	444.64	3.70	-70.65
CC[N@H+](C)CCC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376639	0	56	0.0	-72.30	432.95	3.17	-69.13
CC[N@@H+](C)CCC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376639	1	56	0.0	-72.23	432.95	3.20	-69.03
CN(CC(C)(C)CNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376661	0	57	0.0	-74.03	437.43	3.61	-70.42
CN(CC(C)(C)CNC(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376693	0	57	0.0	-72.59	423.69	3.50	-69.09
CC1CCC[N@@H+]1CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376715	0	57	0.0	-67.15	431.56	3.35	-63.80
CC1CCC[N@H+]1CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376715	1	57	0.0	-67.84	438.01	3.72	-64.12
CC1CC[N@H+](CC(=O)NCC(C)(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024376732	0	57	0.0	-69.67	438.91	3.69	-65.98
CC1CC[N@@H+](CC(=O)NCC(C)(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024376732	1	57	0.0	-69.76	438.23	3.70	-66.06
CC[C@@H](C(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024376734	0	56	0.0	-68.15	423.09	2.97	-65.18
CC1=[NH+]C=CN1CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376769	1	52	0.0	-67.17	422.28	3.59	-63.58
CC1=C[NH+]=CN1CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376787	1	52	0.0	-70.89	421.56	4.26	-66.63
C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024376788	0	57	0.0	-72.82	429.47	2.94	-69.88
C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024376788	1	57	0.0	-70.27	434.93	3.48	-66.79
CN(CC(C)(C)CNC(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376815	0	57	0.0	-68.68	438.97	3.92	-64.76
CN(CC(C)(C)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376815	1	57	0.0	-68.21	439.06	3.95	-64.26
CN(CC(C)(C)CNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376820	0	57	0.0	-74.03	437.43	3.61	-70.42
CN(CC(C)(C)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376832	0	54	0.0	-67.87	419.16	3.04	-64.83
CN(CC(C)(C)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376832	1	54	0.0	-68.08	412.87	2.49	-65.59
CN(CC(C)(C)CNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376872	0	57	0.0	-68.87	425.49	3.40	-65.47
CN(CC(C)(C)CNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376872	1	57	0.0	-67.80	425.51	3.40	-64.40
CC1C(C(=O)NCC(C)(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024376900	0	57	0.0	-70.91	438.92	3.51	-67.40
CC1C(C(=O)NCC(C)(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024376900	1	57	0.0	-68.89	434.04	3.19	-65.70
C[C@@H](C(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024376937	0	53	0.0	-69.76	410.75	2.36	-67.40
CN(CC(C)(C)CNC(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376954	0	57	0.0	-71.77	441.18	3.68	-68.09
CN(CC(C)(C)CNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376959	1	54	0.0	-71.44	420.93	-0.60	-72.04
CN(CC(C)(C)CNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376959	1	54	0.0	-70.47	420.71	-0.60	-71.07
CC1C[NH+](CC(=O)NCC(C)(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024376997	1	54	0.0	-70.62	424.12	3.04	-67.58
CC[N@H+](C)CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377026	0	53	0.0	-70.05	410.57	2.61	-67.44
CC[N@@H+](C)CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377026	1	53	0.0	-70.13	410.58	2.62	-67.51
CC[N@H+](CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024377079	0	57	0.0	-67.67	439.19	3.94	-63.73
CC[N@@H+](CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024377079	1	57	0.0	-67.50	439.22	3.97	-63.53
CN(CC(C)(C)CNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377091	0	55	0.0	-73.47	423.15	3.26	-70.21
CN(CC(C)(C)CNC(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377091	1	55	0.0	-72.24	423.06	3.33	-68.91
CC(C[NH+](C)C)C(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377100	0	56	0.0	-65.36	431.04	3.34	-62.02
CN(CC(C)(C)CNC(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377106	0	54	0.0	-71.29	414.70	3.63	-67.66
C[C@H](C(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024377115	0	53	0.0	-68.30	410.98	2.37	-65.93
CC[N@@H+]1CCC1C(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377118	1	54	0.0	-69.58	416.68	2.84	-66.74
CC[N@H+]1CCC1C(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377118	1	54	0.0	-69.62	424.48	3.01	-66.61
CN(CC(C)(C)CNC(=O)C1=C[NH+]=CC=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377128	0	50	0.0	-71.25	400.97	0.44	-70.81
CN(CC(C)(C)CNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377134	0	56	0.0	-70.93	420.30	3.16	-67.77
CN(CC(C)(C)CNC(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377195	0	55	0.0	-70.26	428.20	3.83	-66.43
CN(CC(C)(C)CNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377201	0	57	0.0	-68.87	425.49	3.40	-65.47
CN(CC(C)(C)CNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377201	1	57	0.0	-67.80	425.51	3.40	-64.40
CN(CC(C)(C)CNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377222	0	55	0.0	-75.00	431.69	3.52	-71.48
CN(CC(C)(C)CNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377222	1	55	0.0	-75.07	430.73	3.54	-71.53
CN(CC(C)(C)CNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024377229	0	44	0.0	-23.29	369.79	-2.43	-25.72
CCC1C[NH+](CC(=O)NCC(C)(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024377243	1	57	0.0	-71.38	445.51	3.81	-67.57
CN(CC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377248	0	54	0.0	-70.66	412.78	2.49	-68.17
CN(CC(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377248	1	54	0.0	-67.26	418.91	3.01	-64.25
CN(CC(C)(C)CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377281	0	57	0.0	-70.50	442.40	3.69	-66.81
CN(CC(C)(C)CNC(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377319	0	57	0.0	-70.01	434.96	3.84	-66.17
CN(CC(C)(C)CNC(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377320	0	57	0.0	-66.23	431.17	3.78	-62.45
CN(CC(C)(C)CNC(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377320	1	57	0.0	-64.61	431.17	3.77	-60.84
CN(CC(C)(C)CNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377321	0	52	0.0	-68.06	424.08	5.46	-62.60
CN(CC(C)(C)CNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377331	0	54	0.0	-68.30	422.25	3.36	-64.94
CN(CC(C)(C)CNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377331	1	54	0.0	-67.97	422.25	3.36	-64.61
CN(CC(C)(C)CNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377380	0	54	0.0	-72.83	424.28	2.80	-70.03
CN(CC(C)(C)CNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377386	0	50	0.0	-71.03	392.84	1.97	-69.06
C[C@@H](C(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024377394	0	53	0.0	-69.76	410.75	2.36	-67.40
CC(C(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024377408	1	57	0.0	-67.86	443.19	3.62	-64.24
CC1CC[N@@H+]1CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377409	1	54	0.0	-68.24	418.63	2.77	-65.47
CC1CC[N@H+]1CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377409	1	54	0.0	-69.66	424.18	3.05	-66.61
CN(CC(C)(C)CNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377411	0	54	0.0	-75.76	428.81	3.19	-72.57
CC[NH+](CC)CC(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377427	0	56	0.0	-68.41	428.94	3.33	-65.08
CC(C(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024377471	1	54	0.0	-67.99	422.85	2.91	-65.08
CN(CC(C)(C)CNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377492	0	57	0.0	-68.30	434.80	3.56	-64.74
CN(CC(C)(C)CNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377492	1	57	0.0	-67.71	425.49	3.38	-64.33
C=CCC(C(=O)NCC(C)(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024377511	0	57	0.0	-67.83	436.51	3.45	-64.38
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300024377532	0	48	0.0	-74.72	400.77	-1.07	-75.79
CCC1C[NH+](CC(=O)N(C)CC(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024377581	1	57	0.0	-73.31	445.50	3.75	-69.56
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024377585	0	54	0.0	-70.69	411.90	2.45	-68.24
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024377585	1	54	0.0	-69.37	417.44	2.75	-66.62
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300024377591	0	57	0.0	-72.18	434.69	3.78	-68.40
CC1C(C(=O)N(C)CC(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024377595	0	57	0.0	-73.12	435.05	3.15	-69.97
CC1C(C(=O)N(C)CC(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024377595	1	57	0.0	-74.45	420.00	2.88	-71.57
CC(CNC(=O)C1CCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377794	0	48	0.0	-60.27	383.88	1.31	-58.96
CC(CNC(=O)C1CCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377794	1	48	0.0	-60.41	383.83	1.30	-59.11
CC(CNC(=O)C1C[N@H+](C)CCO1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377818	1	49	0.0	-63.94	394.15	1.05	-62.89
CC(CNC(=O)C1C[N@@H+](C)CCO1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377818	1	49	0.0	-65.70	401.24	1.21	-64.49
CC(CNC(=O)C(C)[NH+]1CCCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377973	0	57	0.0	-58.24	434.95	3.55	-54.69
CC(C)[N@@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377975	0	57	0.0	-56.05	437.12	3.28	-52.77
CC(C)[N@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377975	1	57	0.0	-56.56	430.85	3.34	-53.22
CC(C)[N@@H+]1CCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377993	0	54	0.0	-57.84	416.35	3.00	-54.84
CC(C)[N@H+]1CCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377993	1	54	0.0	-57.24	422.68	2.87	-54.37
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378008	0	55	0.0	-59.79	431.38	3.51	-56.28
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378008	1	55	0.0	-59.75	431.37	3.44	-56.31
CC(C)C1=[NH+]C=CN1CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378025	1	52	0.0	-58.26	429.52	3.49	-54.77
CC1=[NH+]C=CN1CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378048	1	46	0.0	-59.65	393.30	2.37	-57.28
CC(CNC(=O)CCC[NH+]1CCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378062	0	57	0.0	-63.47	448.92	3.96	-59.51
CC(CNC(=O)C(C)(C)[NH+]1CCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378075	0	57	0.0	-55.78	433.23	3.73	-52.05
CC(CNC(=O)C1C[NH+]2CCC1CC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378083	0	52	0.0	-63.14	405.24	2.56	-60.58
CC(CNC(=O)C1CCCC2CCC[N@@H+]21)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378116	0	55	0.0	-57.74	420.54	3.33	-54.41
CC(CNC(=O)C1CCCC2CCC[N@H+]21)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378116	1	55	0.0	-57.34	420.02	3.31	-54.03
CC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378126	0	51	0.0	-62.72	400.93	1.94	-60.78
CC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378126	1	51	0.0	-62.54	406.93	2.04	-60.50
CC[C@@H]1[C@@H](C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024378130	0	54	0.0	-62.60	420.80	2.48	-60.12
CC[C@@H]1[C@@H](C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024378130	1	54	0.0	-61.08	424.60	3.02	-58.06
CC[N@@H+]1CCOC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024378139	1	52	0.0	-64.70	419.05	1.86	-62.84
CC[N@H+]1CCOC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024378139	1	52	0.0	-61.68	411.94	1.69	-59.99
CC[NH+](CC)CC(F)C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378176	0	53	0.0	-61.79	425.78	2.67	-59.12
CC(CNC(=O)C[NH+]1C(C)CCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378232	0	54	0.0	-57.26	420.91	2.63	-54.63
CC(CNC(=O)CCC[NH+]1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378236	0	54	0.0	-63.63	433.68	3.30	-60.33
C#CC[NH+]1CCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024378240	0	53	0.0	-65.55	433.62	3.64	-61.91
CC(CNC(=O)CC[NH+]1CCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378241	0	54	0.0	-62.37	427.42	3.16	-59.21
CC[N@@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378245	0	54	0.0	-58.31	414.21	2.83	-55.48
CC[N@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378245	1	54	0.0	-58.35	414.23	2.83	-55.52
CC(C)C[N@@H+]1CCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024378257	0	57	0.0	-61.78	448.97	3.73	-58.05
CC(C)C[N@H+]1CCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024378257	1	57	0.0	-62.30	449.57	3.67	-58.63
CC(CNC(=O)C1([NH+](C)C)CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378260	0	51	0.0	-58.20	394.70	2.30	-55.90
CC(C)[N@@H+]1CCCC1CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378262	0	57	0.0	-56.69	433.08	3.30	-53.39
CC(C)[N@H+]1CCCC1CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378262	1	57	0.0	-57.20	434.32	2.86	-54.34
CC(C)[C@@H](C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024378272	0	53	0.0	-59.09	409.49	2.30	-56.79
CC(CNC(=O)C[N@H+](C)C1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378307	0	51	0.0	-59.77	409.98	2.74	-57.03
CC(CNC(=O)C[N@@H+](C)C1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378307	1	51	0.0	-59.65	410.08	2.75	-56.90
CC(CNC(=O)C(C)[NH+]1C(C)CCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378348	0	57	0.0	-55.71	433.23	3.22	-52.49
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378398	1	50	0.0	-58.47	410.45	2.53	-55.94
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378398	1	50	0.0	-58.63	416.40	3.06	-55.57
CC(CNC(=O)CCC1CCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378403	0	54	0.0	-63.45	425.83	2.79	-60.66
CC(CNC(=O)CCC1CCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378403	1	54	0.0	-62.60	431.26	3.26	-59.34
CC(CNC(=O)C12CCC[NH+](CCC1)C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378410	0	55	0.0	-64.52	421.27	2.95	-61.57
CC(CNC(=O)C1CCC2CCCC[N@@H+]21)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378413	0	55	0.0	-56.12	431.23	3.64	-52.48
CC(CNC(=O)C1CCC2CCCC[N@H+]21)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378413	1	55	0.0	-56.12	431.35	3.65	-52.47
CC(CNC(=O)CCCC[NH+]1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378427	0	57	0.0	-64.28	455.19	4.08	-60.20
CC(CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378436	0	51	0.0	-64.29	408.44	2.44	-61.85
CC(CNC(=O)C1=NOC(C[NH+](C)C)=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378462	1	50	0.0	-73.17	422.99	1.78	-71.39
CC(CNC(=O)C1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378484	0	51	0.0	-59.88	396.53	2.20	-57.68
CC(CNC(=O)C1CCCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378484	1	51	0.0	-58.87	405.82	2.36	-56.51
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378501	0	57	0.0	-58.18	448.30	3.92	-54.26
CC(C)C[N@H+]1CCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378501	1	57	0.0	-58.03	448.60	3.95	-54.08
CC(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378582	0	46	0.0	-64.05	394.04	4.25	-59.80
CC1=[NH+]C=CN1CCCC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378588	1	52	0.0	-61.44	434.84	3.66	-57.78
CC(CNC(=O)CC[NH+]1CCOCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378592	1	52	0.0	-65.30	419.14	0.76	-64.54
CC1=C[NH+]=CN1CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378614	1	46	0.0	-62.22	392.59	3.06	-59.16
CC(CNC(=O)C12CCC[NH+]1CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378645	0	52	0.0	-55.90	408.51	2.75	-53.15
CC(CNC(=O)C1CCCC([NH+](C)C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378664	0	57	0.0	-62.03	436.18	3.41	-58.62
CC(CNC(=O)CC1CC[N@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378666	0	51	0.0	-64.58	410.19	2.35	-62.23
CC(CNC(=O)CC1CC[N@@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378666	1	51	0.0	-65.03	410.39	2.36	-62.67
CC(CNC(=O)C1=C[NH+]=CC=C1N(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378676	0	50	0.0	-61.74	414.76	1.57	-60.17
CCC(C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024378680	0	50	0.0	-59.88	394.51	1.76	-58.12
CC(CNC(=O)CC1([NH+](C)C)CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378688	0	57	0.0	-62.96	427.70	3.19	-59.77
CC(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378718	1	46	0.0	-64.71	394.32	4.26	-60.45
CC(CNC(=O)CCCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378761	0	53	0.0	-65.67	429.22	2.91	-62.76
CC(C)C(C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024378777	0	53	0.0	-59.54	408.07	2.31	-57.23
CCC[N@H+](C)CCC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378779	0	53	0.0	-63.59	425.47	2.71	-60.88
CCC[N@@H+](C)CCC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378779	1	53	0.0	-63.49	425.45	2.70	-60.79
CCC[N@H+](C)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378784	0	50	0.0	-61.49	403.08	2.17	-59.32
CCC[N@@H+](C)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378784	1	50	0.0	-61.46	403.10	2.16	-59.30
CC(CNC(=O)C12CC[N@H+](C1)CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378804	0	52	0.0	-62.53	405.81	1.97	-60.56
CC(CNC(=O)C12CC[N@@H+](C1)CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378804	1	52	0.0	-63.21	405.45	1.97	-61.24
CC(CNC(=O)[C@H]1CCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378834	0	48	0.0	-59.16	388.96	1.82	-57.34
CC(CNC(=O)[C@H]1CCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378834	1	48	0.0	-60.47	383.84	1.30	-59.17
CC[NH+](CC)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378887	0	50	0.0	-59.91	395.44	1.85	-58.06
CCC[N@@H+]1CCCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024378918	0	57	0.0	-61.89	447.62	3.79	-58.10
CCC[N@H+]1CCCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024378918	1	57	0.0	-61.95	447.60	3.79	-58.16
CC(CNC(=O)C[NH+]1CCC(C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378957	0	54	0.0	-60.93	426.81	3.26	-57.67
CC(CNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378989	0	51	0.0	-62.12	415.68	2.54	-59.58
CC(C)[NH+]1CCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024379048	0	57	0.0	-61.87	439.12	3.38	-58.49
CC(CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379063	0	51	0.0	-64.29	408.44	2.44	-61.85
CC(C)[C@H](C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024379081	0	53	0.0	-59.55	408.95	2.31	-57.24
CCC(C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024379111	0	56	0.0	-56.91	426.45	2.79	-54.12
CC[N@H+](C)CCC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379158	0	50	0.0	-62.98	403.97	1.98	-61.00
CC[N@@H+](C)CCC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379158	1	50	0.0	-62.96	403.95	1.96	-61.00
CC(CNC(=O)C[N@@H+]1CCCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379204	0	51	0.0	-58.65	409.22	2.56	-56.09
CC(CNC(=O)C[N@H+]1CCCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379204	1	51	0.0	-58.55	402.58	2.12	-56.43
CC(CNC(=O)C[N@@H+]1CCC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379206	0	51	0.0	-60.54	409.42	2.51	-58.03
CC(CNC(=O)C[N@H+]1CCC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379206	1	51	0.0	-60.43	409.42	2.49	-57.94
CC(CNC(=O)C[N@@H+]1CCC(C)(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379210	0	54	0.0	-60.28	429.42	3.02	-57.26
CC(CNC(=O)C[N@H+]1CCC(C)(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379210	1	54	0.0	-60.25	428.87	3.01	-57.24
CC(CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379211	0	56	0.0	-60.78	433.66	3.31	-57.47
CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379211	1	56	0.0	-61.02	431.69	3.17	-57.85
CC[C@@H](C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024379219	0	50	0.0	-59.77	394.11	1.78	-57.99
CC(CNC(=O)C[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379360	0	44	0.0	-62.16	363.86	0.76	-61.40
CC(CNC(=O)C[NH+]1CCCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379364	0	54	0.0	-60.55	414.93	2.82	-57.73
CC(CNC(=O)C[N+]1=CN(C)C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379368	0	46	0.0	-60.47	395.09	4.28	-56.19
CC(CNC(=O)C1CCC[N@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379374	0	51	0.0	-59.31	402.18	2.58	-56.73
CC(CNC(=O)C1CCC[N@@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379374	1	51	0.0	-63.15	408.45	2.38	-60.77
CC(CNC(=O)C1CCC[N@@H+]1C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379379	0	52	0.0	-58.30	416.33	2.75	-55.55
CC(CNC(=O)C1CCC[N@H+]1C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379379	1	52	0.0	-58.37	414.29	2.61	-55.76
CC(CNC(=O)C(C)[NH+]1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379402	1	48	0.0	-59.50	393.88	1.69	-57.81
CCC(CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024379406	0	56	0.0	-62.26	439.09	3.38	-58.88
CC(CNC(=O)C(C)(C)C[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379413	0	53	0.0	-61.19	411.38	2.46	-58.73
CC(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379427	0	53	0.0	-57.62	412.34	2.85	-54.77
CC(CNC(=O)C12CC(C1)C[N@H+]2C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379427	1	53	0.0	-55.77	421.89	4.09	-51.68
CC(CNC(=O)C[NH+]1CCC(O)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379435	1	52	0.0	-64.52	416.69	-0.72	-65.24
CC(CNC(=O)C[N@H+](C)C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379436	0	48	0.0	-59.47	393.28	2.17	-57.30
CC(CNC(=O)C[N@@H+](C)C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379436	1	48	0.0	-59.43	393.28	2.16	-57.27
CC(CNC(=O)C(C)N1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379437	1	56	0.0	-65.08	437.13	0.59	-64.49
CC(CNC(=O)CC1C[NH+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379455	0	48	0.0	-64.02	395.30	1.59	-62.43
CC(CNC(=O)C1CC[N@@H+]1C1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379459	0	55	0.0	-59.44	430.54	3.21	-56.23
CC(CNC(=O)C1CC[N@H+]1C1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379459	1	55	0.0	-59.46	429.15	3.20	-56.26
CC(CNC(=O)C1CC[N@@H+]1C(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379467	0	54	0.0	-57.50	425.39	2.50	-55.00
CC(CNC(=O)C1CC[N@H+]1C(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379467	1	54	0.0	-57.62	425.86	2.51	-55.11
CC(CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379478	0	47	0.0	-60.25	381.98	1.15	-59.10
CC(CNC(=O)CN=[N+]=[N-])N(C)C(=O)CSC1=NC(=O)NN1	REAL300024379485	0	38	0.0	-21.46	340.84	-3.65	-25.11
CCC1CCC[N@H+](CC(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024379509	0	57	0.0	-60.89	444.84	3.88	-57.01
CCC1CCC[N@@H+](CC(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024379509	1	57	0.0	-60.88	444.84	3.87	-57.01
CC(CNC(=O)C1=CC=C(C[NH+](C)C)N1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379516	0	52	0.0	-63.52	430.72	1.93	-61.59
CC(CNC(=O)CN1C=CSC1=[NH2+])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379557	0	44	0.0	-58.62	390.94	0.94	-57.68
CC(CNC(=O)CC[N@H+](C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379567	0	51	0.0	-63.07	414.32	-1.25	-64.32
CC(CNC(=O)CC[N@@H+](C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379567	1	51	0.0	-63.14	414.29	-1.26	-64.40
CC(CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379568	0	47	0.0	-60.25	381.98	1.15	-59.10
CC(CNC(=O)[C@H]1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379572	0	51	0.0	-58.93	405.84	2.35	-56.58
CC(CNC(=O)[C@H]1CCCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379572	1	51	0.0	-59.92	396.52	2.18	-57.74
CC(CNC(=O)C1C[N@@H+]2CCN1CC2C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379580	0	54	0.0	-62.54	415.15	-0.35	-62.89
CC(CNC(=O)C1C[N@H+]2CCN1CC2C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379580	1	54	0.0	-62.26	416.70	-0.25	-62.51
CC(CNC(=O)C[NH+]1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379640	1	45	0.0	-61.57	373.95	1.19	-60.38
CC(CNC(=O)C=C1CC[N@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379663	0	49	0.0	-67.15	402.72	2.29	-64.86
CC(CNC(=O)C=C1CC[N@@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379663	1	49	0.0	-67.43	401.76	2.31	-65.12
CC(CNC(=O)COCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379693	0	51	0.0	-64.20	419.73	1.82	-62.38
C=CCC(C)(C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024379712	0	54	0.0	-58.96	419.23	2.82	-56.14
CC(CNC(=O)C(O)CC[S+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379716	0	50	0.0	-62.44	428.70	0.43	-62.01
CC(CNC(=O)C1(C)CC(O)C[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379741	0	52	0.0	-61.18	411.58	-0.90	-62.08
CC(CNC(=O)C1CN(C)CC[N@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379750	0	56	0.0	-62.93	433.98	0.93	-62.00
CC(CNC(=O)C1CN(C)CC[N@@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379750	1	56	0.0	-62.93	433.98	0.93	-62.00
CC(CNC(=O)CN1CC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379767	0	48	0.0	-61.40	395.13	1.86	-59.54
CC(CNC(=O)C[NH+]1CC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379767	1	48	0.0	-61.40	395.13	1.86	-59.54
CC(CNC(=O)CN(C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379789	0	48	0.0	-61.92	391.96	-1.81	-63.73
CC(CNC(=O)C[N@H+](C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379789	1	48	0.0	-61.40	391.71	-1.82	-63.22
CC(CNC(=O)C[N@@H+](C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379789	1	48	0.0	-61.40	391.71	-1.82	-63.22
CC(CNC(=O)C1C[N@@H+]2CCN1CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379808	0	54	0.0	-65.26	413.49	0.54	-64.72
CC(CNC(=O)C1C[N@H+]2CCN1CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379808	1	54	0.0	-65.26	413.49	0.54	-64.72
CC[N@@H+]1CCCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024379813	0	54	0.0	-61.45	426.12	3.04	-58.41
CC[N@H+]1CCCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024379813	1	54	0.0	-61.45	426.12	3.04	-58.41
CC(CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024379815	0	53	0.0	-64.93	421.04	2.76	-62.17
CC[N@H+](C)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379822	0	47	0.0	-61.16	381.59	1.44	-59.72
CC(CNC(=O)C12CCC[N@@H+]1CCCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379841	0	55	0.0	-56.91	418.21	3.34	-53.57
CC(CNC(=O)C12CCC[N@H+]1CCCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379841	1	55	0.0	-56.91	418.21	3.34	-53.57
CC(CNC(=O)C12CCC[N@@H+]1CC=CC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379846	0	53	0.0	-57.65	410.07	3.25	-54.40
CC(CNC(=O)C12CCC[N@H+]1CC=CC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379846	1	53	0.0	-57.65	410.07	3.25	-54.40
CC[N@H+](CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024379865	0	51	0.0	-59.51	405.27	2.66	-56.85
CC[NH+](CC)CCC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379877	0	53	0.0	-62.02	421.80	2.67	-59.35
CC(CNC(=O)C[N@@H+]1CCC(C)(O)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379918	0	52	0.0	-61.32	420.27	-0.84	-62.16
CC(CNC(=O)C=CC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379925	0	48	0.0	-66.70	401.08	2.01	-64.69
CC(CNC(=O)C(C)OCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379942	0	54	0.0	-64.34	439.51	2.51	-61.83
CC(CNC(=O)CCOCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379949	0	54	0.0	-63.71	440.67	1.56	-62.15
COCCN(C)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379950	0	51	0.0	-61.25	413.97	0.60	-60.65
COCC[N@H+](C)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379950	1	51	0.0	-61.80	414.21	0.59	-61.21
COCC[N@@H+](C)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379950	1	51	0.0	-61.80	414.21	0.59	-61.21
CC(CNC(=O)C1([NH+](C)C)CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379974	0	54	0.0	-58.63	415.00	2.97	-55.66
CC(CNC(=O)CCC(C)[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379977	0	53	0.0	-63.62	421.14	2.49	-61.13
CCN1CCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379983	0	48	0.0	-60.16	395.55	1.73	-58.43
CC[N@@H+]1CCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379983	1	48	0.0	-60.05	395.51	1.78	-58.27
CC[N@H+]1CCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379983	1	48	0.0	-60.05	395.51	1.78	-58.27
CC(C)[N@@H+]1CCCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024379991	0	57	0.0	-60.11	442.77	3.55	-56.56
CC(C)[N@H+]1CCCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024379991	1	57	0.0	-60.11	442.77	3.55	-56.56
CC(CNC(=O)C[N@@H+]1CCCC1CO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380002	0	52	0.0	-60.40	413.47	-1.18	-61.58
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380022	0	55	0.0	-59.75	431.37	3.44	-56.31
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380022	1	55	0.0	-59.75	431.37	3.44	-56.31
CC(CNC(=O)C1(C)CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380028	0	54	0.0	-62.48	421.13	2.83	-59.65
CC(CNC(=O)C1=CC(C[NH+](C)C)=CN1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380034	0	52	0.0	-65.91	430.27	2.08	-63.83
C=CCC(C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024380053	0	51	0.0	-58.84	407.52	2.25	-56.59
CC(CNC(=O)C1CC(C)(C)C[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380062	0	54	0.0	-59.75	423.73	2.47	-57.28
CC(CNC(=O)CCCCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380065	0	56	0.0	-66.22	450.72	3.68	-62.54
CC(CNC(=O)C1C[N@@H+]2CCN1C(C)C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380095	0	54	0.0	-63.44	403.36	0.12	-63.32
CC(CNC(=O)C1C[N@H+]2CCN1C(C)C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380095	1	54	0.0	-63.44	403.36	0.12	-63.32
CCCC(C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024380096	0	53	0.0	-60.85	415.76	2.54	-58.31
CC(CNC(=O)C(C)(C)[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380100	0	50	0.0	-58.64	390.90	1.92	-56.72
CC(CNC(=O)C1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380133	0	51	0.0	-58.87	405.82	2.36	-56.51
CC(CNC(=O)CC1=CC[N@H+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380164	0	52	0.0	-65.39	423.00	3.10	-62.29
CC(CNC(=O)CC1=CC[N@@H+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380164	1	52	0.0	-64.51	422.99	3.10	-61.41
CC(CNC(=O)CC1([NH+]2CCCC2)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380172	0	55	0.0	-59.26	427.84	3.43	-55.83
CC(CNC(=O)C1=CC=C(C[NH+](C)C)O1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380209	1	51	0.0	-61.99	428.46	2.56	-59.43
CC(CNC(=O)C=CC[NH+]1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380223	0	52	0.0	-64.75	424.41	3.03	-61.72
CC(CNC(=O)C1CC[NH+](C2CC2)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380241	0	55	0.0	-61.18	433.30	3.63	-57.55
CC(CNC(=O)C1([NH+](C)C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380258	0	48	0.0	-59.37	387.65	1.79	-57.58
CC(CNC(=O)CC[NH+]1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380260	0	51	0.0	-62.44	412.20	2.49	-59.95
CC(CNC(=O)C1C[NH+]2CCN1CC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380292	0	51	0.0	-64.57	400.13	-0.77	-65.34
CC(CNC(=O)C12CC(C1)C[N@@H+]2C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380300	0	49	0.0	-57.84	394.07	2.12	-55.72
CC(CNC(=O)C12CC(C1)C[N@H+]2C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380300	1	49	0.0	-58.11	396.16	1.92	-56.19
CC(CNC(=O)C[N@@H+]1CC2CCC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380311	0	52	0.0	-58.95	410.58	2.87	-56.08
CC(CNC(=O)C[N@H+]1CC2CCC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380311	1	52	0.0	-59.00	410.26	2.86	-56.14
CC(CNC(=O)C=C1C[NH+]2CCC1CC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380347	0	53	0.0	-64.26	420.01	3.14	-61.12
CC(CNC(=O)C[N@@H+]1CC2C=CC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380357	1	50	0.0	-59.14	403.34	2.72	-56.42
CC(CNC(=O)C[N@H+]1CC2C=CC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380357	1	50	0.0	-59.02	403.20	2.73	-56.29
CC[NH+]1CCN(CC(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024380383	0	56	0.0	-63.79	440.63	0.94	-62.85
CC(C[NH+](C)C)C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380397	0	50	0.0	-60.18	402.05	2.13	-58.05
CC(CNC(=O)CC1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380458	0	54	0.0	-62.95	423.13	2.95	-60.00
CC(CNC(=O)CC1CCCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380458	1	54	0.0	-57.67	415.61	2.83	-54.84
CC(CNC(=O)C(C)[NH+]1CC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380472	1	51	0.0	-59.22	413.07	2.43	-56.79
CC(CNC(=O)C[N@@H+]1CCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380474	1	48	0.0	-60.21	395.21	1.84	-58.37
CC(CNC(=O)C[N@H+]1CCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380474	1	48	0.0	-60.03	395.14	1.88	-58.15
CC(CNC(=O)CC(O)C[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380477	0	51	0.0	-67.16	416.56	-0.23	-67.39
CC(CNC(=O)C1C[N@H+](C)CC(C)O1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380501	1	52	0.0	-66.60	422.45	1.94	-64.66
CC(CNC(=O)C1C[N@@H+](C)CC(C)O1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380501	1	52	0.0	-64.05	415.35	1.78	-62.27
CCC[N@@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380510	0	57	0.0	-58.60	435.73	3.57	-55.03
CCC[N@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380510	1	57	0.0	-57.77	445.14	3.75	-54.02
CC(CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380566	0	51	0.0	-63.47	413.40	2.48	-60.99
CC(CC[NH+](C)C)C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380573	0	53	0.0	-65.05	423.89	2.64	-62.41
C#CC[N@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380594	1	53	0.0	-57.76	431.10	3.56	-54.20
C#CC[N@@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380594	1	53	0.0	-58.57	421.76	3.39	-55.18
CC(CNC(=O)CN1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380597	1	53	0.0	-65.23	422.89	0.26	-64.97
CC[NH+]1CCN(CC(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024380604	0	56	0.0	-63.79	440.63	0.94	-62.85
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@@H+]1C	REAL300024380774	0	48	0.0	-64.23	378.32	1.29	-62.94
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@H+]1C	REAL300024380774	1	48	0.0	-65.75	388.08	1.52	-64.23
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@H+](C)CCO1	REAL300024380800	1	49	0.0	-74.63	396.05	0.94	-73.69
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@@H+](C)CCO1	REAL300024380800	1	49	0.0	-75.61	388.46	0.73	-74.88
CC1=[NH+]C=CN1CCCC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024380957	1	52	0.0	-65.19	434.83	3.63	-61.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[NH+]1CCOCC1	REAL300024380961	1	52	0.0	-71.79	419.14	0.75	-71.04
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CCC[NH+]1CCC2	REAL300024380979	0	52	0.0	-62.44	401.53	2.07	-60.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024380987	1	46	0.0	-71.94	390.99	3.87	-68.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC([NH+](C)C)C1	REAL300024381033	0	57	0.0	-70.66	434.40	3.57	-67.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CC[N@H+](C)C1	REAL300024381035	0	51	0.0	-68.11	410.30	2.33	-65.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CC[N@@H+](C)C1	REAL300024381035	1	51	0.0	-68.09	410.29	2.33	-65.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=C[NH+]=CC=C1N(C)C	REAL300024381045	0	50	0.0	-72.70	415.22	0.54	-72.16
CCC(C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024381049	0	50	0.0	-66.94	393.47	1.68	-65.26
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCCC[NH+](C)C	REAL300024381098	0	53	0.0	-69.22	429.22	2.86	-66.36
CC(C)C(C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024381116	0	53	0.0	-64.63	407.88	2.42	-62.21
CCC[N@H+](C)CCC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381118	0	53	0.0	-69.19	425.47	2.69	-66.50
CCC[N@@H+](C)CCC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381118	1	53	0.0	-69.53	425.45	2.69	-66.84
CCC[N@H+](C)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381123	0	50	0.0	-67.69	403.10	2.12	-65.57
CCC[N@@H+](C)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381123	1	50	0.0	-67.64	403.08	2.08	-65.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC[N@H+](C1)CCC2	REAL300024381143	0	52	0.0	-70.38	390.50	1.63	-68.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC[N@@H+](C1)CCC2	REAL300024381143	1	52	0.0	-74.06	395.67	1.55	-72.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCC(C)CC1	REAL300024381192	0	54	0.0	-68.00	426.92	3.18	-64.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024381251	0	55	0.0	-66.05	428.34	3.26	-62.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024381251	1	55	0.0	-65.07	428.16	3.31	-61.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1(C[NH+](C)C)CC1	REAL300024381260	0	51	0.0	-63.22	412.16	2.27	-60.95
CC(C)[NH+]1CCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024381269	0	57	0.0	-71.46	435.58	3.24	-68.22
CC[N@H+](C)CCC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381285	0	50	0.0	-68.77	403.95	1.97	-66.80
CC[N@@H+](C)CCC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381285	1	50	0.0	-68.81	403.95	1.95	-66.86
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300024381304	0	57	0.0	-65.55	426.19	3.02	-62.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[NH+]2CCC1CC2	REAL300024381312	0	52	0.0	-77.55	399.83	2.15	-75.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[NH+](C)CC1	REAL300024381371	0	51	0.0	-72.05	403.46	2.08	-69.97
CC(C)[C@H](C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024381389	0	53	0.0	-66.89	403.21	2.67	-64.22
CC[NH+](CC)CC(F)C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381469	0	53	0.0	-68.64	422.18	2.40	-66.24
CC(C)C[N@@H+]1CCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024381495	0	57	0.0	-68.26	444.58	3.53	-64.73
CC(C)C[N@H+]1CCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024381495	1	57	0.0	-67.59	444.64	3.51	-64.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1([NH+](C)C)CCC1	REAL300024381498	0	51	0.0	-64.74	389.09	1.96	-62.78
CCC(C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024381528	0	56	0.0	-61.71	425.03	2.87	-58.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCCC1C	REAL300024381544	0	51	0.0	-64.88	408.81	2.37	-62.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCCC1C	REAL300024381544	1	51	0.0	-64.03	402.53	2.07	-61.96
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)[NH+]1CCCCCC1	REAL300024381589	0	57	0.0	-64.16	432.42	3.41	-60.75
CC(C)[N@@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381591	0	57	0.0	-61.87	434.63	3.15	-58.72
CC(C)[N@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381591	1	57	0.0	-63.28	426.87	2.90	-60.38
CC(C)[N@@H+]1CCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381609	0	54	0.0	-65.22	413.96	2.86	-62.36
CC(C)[N@H+]1CCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381609	1	54	0.0	-62.47	423.27	2.59	-59.88
CC(C)[N@@H+]1CCCC1CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381615	0	57	0.0	-62.23	435.54	2.84	-59.39
CC(C)[N@H+]1CCCC1CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381615	1	57	0.0	-62.62	434.05	2.83	-59.79
CC(C)[C@@H](C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024381625	0	53	0.0	-65.43	399.76	2.10	-63.33
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCC(C)C1	REAL300024381643	0	51	0.0	-66.70	409.73	2.45	-64.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCC(C)C1	REAL300024381643	1	51	0.0	-66.98	410.11	2.34	-64.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024381647	0	54	0.0	-66.52	428.86	2.93	-63.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300024381647	1	54	0.0	-66.88	428.82	2.94	-63.94
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+](C)CC(C)(C)C	REAL300024381648	0	56	0.0	-67.63	433.64	3.24	-64.39
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300024381648	1	56	0.0	-67.57	431.71	3.07	-64.50
CC[C@@H](C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024381656	0	50	0.0	-65.08	390.09	1.58	-63.50
CC1=[NH+]C=CN1CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381815	1	46	0.0	-63.00	393.31	2.28	-60.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC[NH+]1CCCCC1	REAL300024381829	0	57	0.0	-68.01	448.90	3.92	-64.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024381841	1	50	0.0	-73.38	420.33	2.06	-71.32
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381867	1	52	0.0	-62.14	429.51	3.42	-58.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC2CCC[N@@H+]21	REAL300024381893	0	55	0.0	-62.28	415.89	2.80	-59.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC2CCC[N@H+]21	REAL300024381893	1	55	0.0	-62.30	415.89	2.80	-59.50
CC[N@@H+]1CCOC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024381906	1	52	0.0	-64.57	400.91	1.39	-63.18
CC[N@H+]1CCOC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024381906	1	52	0.0	-74.35	406.25	1.36	-72.99
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024381944	0	46	0.0	-71.57	398.79	4.05	-67.52
CC1=C[NH+]=CN1CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381948	1	46	0.0	-67.32	392.57	2.98	-64.34
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024381957	0	51	0.0	-66.22	394.20	2.16	-64.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024381957	1	51	0.0	-70.64	404.97	1.90	-68.74
CC[C@@H]1[C@@H](C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024381961	0	54	0.0	-66.81	416.55	2.23	-64.58
CC[C@@H]1[C@@H](C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024381961	1	54	0.0	-69.17	422.56	2.54	-66.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1C(C)CCC1C	REAL300024381971	0	54	0.0	-63.41	420.59	2.56	-60.85
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC[NH+]1CCCC1	REAL300024381975	0	54	0.0	-67.49	433.69	3.27	-64.22
C#CC[NH+]1CCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024381980	0	53	0.0	-71.25	428.17	3.25	-68.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[NH+]1CCCCC1	REAL300024381981	0	54	0.0	-68.29	427.42	3.12	-65.17
CC[N@@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381986	0	54	0.0	-63.95	420.74	2.82	-61.13
CC[N@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024381986	1	54	0.0	-63.04	410.01	2.42	-60.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1([NH+](C)C)CCCC1	REAL300024382018	0	57	0.0	-69.25	427.70	3.15	-66.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+](C)C1CCC1	REAL300024382129	0	51	0.0	-65.95	409.99	2.64	-63.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+](C)C1CCC1	REAL300024382129	1	51	0.0	-65.02	410.09	2.65	-62.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)[NH+]1C(C)CCC1C	REAL300024382146	0	57	0.0	-60.72	433.57	3.00	-57.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCCC[NH+]1CCCC1	REAL300024382157	0	57	0.0	-67.98	455.18	4.05	-63.93
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[NH+](C)CC1	REAL300024382166	0	51	0.0	-72.05	403.46	2.08	-69.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024382200	0	48	0.0	-64.90	386.66	1.58	-63.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CCC[N@H+]1C	REAL300024382200	1	48	0.0	-66.93	382.84	1.24	-65.69
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024382219	1	50	0.0	-62.62	405.18	2.53	-60.09
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024382219	1	50	0.0	-65.85	415.67	2.84	-63.01
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC1CCC[N@@H+]1C	REAL300024382224	0	54	0.0	-67.19	425.81	2.76	-64.43
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC1CCC[N@H+]1C	REAL300024382224	1	54	0.0	-70.85	431.26	3.21	-67.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CCC[NH+](CCC1)C2	REAL300024382231	0	55	0.0	-70.42	404.85	2.66	-67.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC2CCCC[N@@H+]21	REAL300024382234	0	55	0.0	-61.87	431.31	3.47	-58.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC2CCCC[N@H+]21	REAL300024382234	1	55	0.0	-61.83	427.81	3.47	-58.36
CCC[N@@H+]1CCCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024382293	0	57	0.0	-70.69	438.68	3.77	-66.92
CCC[N@H+]1CCCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024382293	1	57	0.0	-66.53	442.65	3.44	-63.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC[N@@H+]1C	REAL300024382326	0	51	0.0	-62.54	403.83	2.23	-60.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC[N@H+]1C	REAL300024382326	1	51	0.0	-62.18	402.58	2.20	-59.98
CC(C)C[N@@H+]1CCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024382344	0	57	0.0	-65.44	430.43	3.68	-61.76
CC(C)C[N@H+]1CCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024382344	1	57	0.0	-63.77	432.31	3.05	-60.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@H+](C)C1C	REAL300024382395	0	51	0.0	-66.42	409.80	2.12	-64.30
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@@H+](C)C1C	REAL300024382395	1	51	0.0	-66.42	409.16	2.06	-64.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC1CCCC[N@@H+]1C	REAL300024382397	0	57	0.0	-68.38	437.83	3.47	-64.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC1CCCC[N@H+]1C	REAL300024382397	1	57	0.0	-65.57	444.91	3.66	-61.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024382474	0	54	0.0	-65.00	405.83	1.67	-63.33
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300024382474	1	54	0.0	-63.24	399.57	1.86	-61.38
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL300024382492	0	47	0.0	-64.75	380.41	1.07	-63.68
C=CCC(C)(C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024382506	0	54	0.0	-67.96	406.32	3.03	-64.93
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[NH+]1CCCC1	REAL300024382526	0	51	0.0	-68.47	412.18	2.46	-66.01
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+](C)CCO	REAL300024382536	1	48	0.0	-68.36	391.95	-1.89	-70.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+](C)CCO	REAL300024382536	1	48	0.0	-67.90	391.74	-1.88	-69.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300024382565	0	54	0.0	-70.86	406.47	0.10	-70.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@H+]2CCN1CCC2	REAL300024382565	1	54	0.0	-68.41	409.28	-0.15	-68.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1=CC[N@H+](C)CC1	REAL300024382609	0	52	0.0	-66.13	423.02	3.05	-63.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1=CC[N@@H+](C)CC1	REAL300024382609	1	52	0.0	-64.72	422.97	3.04	-61.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(O)CC[S+](C)C	REAL300024382623	0	50	0.0	-65.53	425.62	0.18	-65.35
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024382641	0	52	0.0	-64.15	402.00	-2.10	-66.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1(C)CC(O)C[N@H+]1C	REAL300024382641	1	52	0.0	-63.31	402.32	-2.30	-65.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300024382650	0	56	0.0	-65.22	429.92	0.47	-64.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024382650	1	56	0.0	-65.85	430.05	0.07	-65.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CC(C)C1	REAL300024382678	1	48	0.0	-67.47	395.12	1.78	-65.69
CC[N@@H+]1CCCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024382684	0	54	0.0	-65.85	421.13	2.69	-63.16
CC[N@H+]1CCCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024382684	1	54	0.0	-67.37	421.57	2.77	-64.60
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@@H+]1C1CC1	REAL300024382699	0	52	0.0	-68.13	410.84	2.61	-65.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@H+]1C1CC1	REAL300024382699	1	52	0.0	-65.97	412.80	2.52	-63.45
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=CC[NH+]1CCCC1	REAL300024382734	0	52	0.0	-70.39	423.59	2.99	-67.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[NH+](C2CC2)CC1	REAL300024382752	0	55	0.0	-70.98	424.82	3.61	-67.37
CC[N@H+](C)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024382789	0	47	0.0	-67.21	381.59	1.35	-65.86
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1CC2C=CC1C2	REAL300024382832	0	50	0.0	-65.02	402.99	2.55	-62.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024382832	1	50	0.0	-65.60	403.11	2.69	-62.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CC2C=CC1C2	REAL300024382832	1	50	0.0	-65.60	403.11	2.69	-62.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CCC[N@@H+]1CCCC2	REAL300024382932	0	55	0.0	-60.55	410.94	2.30	-58.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CCC[N@H+]1CCCC2	REAL300024382932	1	55	0.0	-60.55	410.94	2.30	-58.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300024382938	0	53	0.0	-62.49	405.55	2.44	-60.05
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CCC[N@H+]1CC=CC2	REAL300024382938	1	53	0.0	-62.49	405.55	2.44	-60.05
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)OCC[NH+](C)C	REAL300024382947	0	54	0.0	-69.47	434.96	2.21	-67.26
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCOCC[NH+](C)C	REAL300024382955	0	54	0.0	-65.93	440.67	1.54	-64.39
COCCN(C)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024382957	0	51	0.0	-68.14	413.99	0.53	-67.61
COCC[N@H+](C)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024382957	1	51	0.0	-68.69	414.21	0.51	-68.18
COCC[N@@H+](C)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024382957	1	51	0.0	-68.69	414.21	0.51	-68.18
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC(C)[NH+](C)C	REAL300024382962	0	53	0.0	-66.58	421.14	2.47	-64.11
CC[N@H+](CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024382982	0	51	0.0	-65.87	405.25	2.58	-63.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300024382995	0	54	0.0	-75.70	413.74	-0.61	-76.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024383015	0	49	0.0	-69.18	390.25	1.97	-67.21
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CC2CCC1C2	REAL300024383028	0	52	0.0	-65.15	410.41	2.80	-62.35
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CC2CCC1C2	REAL300024383028	1	52	0.0	-65.15	410.41	2.80	-62.35
CC(C[NH+](C)C)C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024383047	0	50	0.0	-61.81	397.10	1.80	-60.01
CCN1CCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024383089	0	48	0.0	-66.40	394.00	1.56	-64.84
CC[N@@H+]1CCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024383089	1	48	0.0	-65.40	387.08	1.33	-64.07
CC[N@H+]1CCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024383089	1	48	0.0	-65.40	387.08	1.33	-64.07
CC(C)[N@@H+]1CCCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024383099	0	57	0.0	-59.44	428.80	3.46	-55.98
CC(C)[N@H+]1CCCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024383099	1	57	0.0	-59.44	428.80	3.46	-55.98
CCC(C)(C)[NH2+]C(C)C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024383109	0	56	0.0	-65.97	427.26	1.31	-64.66
C#CCN1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024383146	0	53	0.0	-64.14	417.54	2.97	-61.17
C#CC[N@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024383146	1	53	0.0	-65.00	429.60	3.46	-61.54
C#CC[N@@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024383146	1	53	0.0	-65.00	429.60	3.46	-61.54
CCCC(C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024383157	0	53	0.0	-66.64	413.11	2.35	-64.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)(C)[NH+](C)C	REAL300024383164	0	50	0.0	-66.21	383.55	1.42	-64.79
CC(CC[NH+](C)C)C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024383182	0	53	0.0	-67.78	419.00	2.31	-65.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024383234	0	53	0.0	-64.82	413.10	3.11	-61.71
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024383234	1	53	0.0	-65.93	413.26	2.83	-63.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024383261	0	54	0.0	-63.71	422.55	2.39	-61.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300024383261	1	54	0.0	-63.01	426.05	2.64	-60.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCCCC[NH+](C)C	REAL300024383264	0	56	0.0	-68.60	450.72	3.64	-64.96
CCC[N@@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024383270	0	57	0.0	-62.02	442.24	3.59	-58.43
CCC[N@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024383270	1	57	0.0	-64.85	428.37	3.25	-61.60
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1CC[NH+](C)CC1	REAL300024383279	1	53	0.0	-65.48	423.01	0.19	-65.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@H+](C)CC(C)O1	REAL300024383355	1	52	0.0	-73.53	419.18	1.72	-71.81
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@@H+](C)CC(C)O1	REAL300024383355	1	52	0.0	-82.81	410.45	1.21	-81.60
CCC1CCC[N@H+](CC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024383382	0	57	0.0	-67.76	444.83	3.80	-63.96
CCC1CCC[N@@H+](CC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024383382	1	57	0.0	-65.40	437.36	3.34	-62.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024383390	0	52	0.0	-76.16	426.22	2.16	-74.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CC2CC2C1	REAL300024383402	0	49	0.0	-67.74	399.20	2.56	-65.18
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1([NH+]2CCCC2)CC1	REAL300024383413	0	55	0.0	-64.01	428.96	3.48	-60.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC[N@@H+]1C	REAL300024383444	0	51	0.0	-62.54	403.83	2.23	-60.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC[N@H+]1C	REAL300024383444	1	51	0.0	-62.18	402.58	2.20	-59.98
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=C1CC[N@H+](C)C1	REAL300024383539	0	49	0.0	-70.34	401.88	2.24	-68.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=C1CC[N@@H+](C)C1	REAL300024383539	1	49	0.0	-70.36	401.91	2.25	-68.11
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CNC1=CC=[NH+]C=C1	REAL300024383544	0	47	0.0	-66.67	399.59	-0.05	-66.72
CC(CNC(=O)CSC1=NC(=O)NN1)N(C)C(=O)CN=[N+]=[N-]	REAL300024383584	0	38	0.0	-22.30	340.82	-3.72	-26.02
CC[NH+]1CCN(CC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024383591	0	56	0.0	-64.82	440.62	0.85	-63.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=C1C[NH+]2CCC1CC2	REAL300024383594	0	53	0.0	-64.07	419.17	3.09	-60.98
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1([NH+](C)C)CCCC1	REAL300024383624	0	54	0.0	-72.54	406.02	2.48	-70.06
CCC1C[NH+](CC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024383634	0	51	0.0	-68.32	416.51	2.53	-65.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1([NH+]2CCCC2)CCC1	REAL300024383637	0	55	0.0	-66.21	418.03	2.92	-63.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024383648	0	48	0.0	-64.56	379.97	1.28	-63.28
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024383648	1	48	0.0	-65.21	389.20	1.58	-63.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024383769	0	51	0.0	-64.84	412.35	2.37	-62.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC([NH+](C)C)CC1	REAL300024383780	0	57	0.0	-69.73	437.76	3.24	-66.49
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1(CC[NH+](C)C)CC1	REAL300024383781	0	54	0.0	-63.84	434.30	3.00	-60.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024383782	0	57	0.0	-67.67	431.25	3.10	-64.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CC=CC[N@@H+]1C	REAL300024383783	0	52	0.0	-69.28	415.19	2.78	-66.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CC=CC[N@H+]1C	REAL300024383783	1	52	0.0	-69.28	415.19	2.78	-66.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)COCC[NH+](C)C	REAL300024383833	0	51	0.0	-65.52	419.75	1.78	-63.74
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1C=CSC1=[NH2+]	REAL300024383870	0	44	0.0	-62.10	390.95	0.86	-61.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H](C)OCC[NH+](C)C	REAL300024383934	0	54	0.0	-65.29	434.46	2.22	-63.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[NH+]1CCCCCC1	REAL300024383964	0	57	0.0	-70.72	437.90	3.36	-67.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCCCC1	REAL300024383967	0	51	0.0	-67.01	405.69	2.56	-64.45
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@H+](C)C1	REAL300024383969	0	51	0.0	-68.91	403.90	2.09	-66.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@@H+](C)C1	REAL300024383969	1	51	0.0	-68.04	403.45	2.06	-65.98
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCCCCC1	REAL300024383970	0	54	0.0	-66.21	414.95	2.74	-63.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N+]1=CN(C)C=C1	REAL300024383975	0	46	0.0	-65.24	395.10	4.19	-61.05
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024383990	1	51	0.0	-73.50	425.17	2.53	-70.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCC(O)CC1	REAL300024384005	1	52	0.0	-71.69	416.69	-0.79	-72.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+](C)C1CC1	REAL300024384009	1	48	0.0	-64.72	393.14	2.09	-62.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)N1CC[NH+](C)CC1	REAL300024384011	1	56	0.0	-64.13	438.99	0.56	-63.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[N@H+]1CCC(F)C1	REAL300024384013	1	51	0.0	-73.75	418.07	2.53	-71.22
CCOCC(N=[N+]=[N-])C(=O)N(C)C(C)CNC(=O)CSC1=NC(=O)NN1	REAL300024384029	0	48	0.0	-22.29	413.78	-3.16	-25.45
CC(CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024384035	0	53	0.0	-68.04	421.06	2.73	-65.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@@H+]2CCOCC12	REAL300024384047	0	53	0.0	-64.18	412.28	1.04	-63.14
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@H+]2CCOCC12	REAL300024384047	1	53	0.0	-65.64	414.71	0.94	-64.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1COCCN1C	REAL300024384063	0	52	0.0	-73.53	414.59	0.54	-72.99
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1COCC[N@@H+]1C	REAL300024384063	1	52	0.0	-66.55	406.98	0.40	-66.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1COCC[N@H+]1C	REAL300024384063	1	52	0.0	-73.53	414.59	0.54	-72.99
CC[NH+]1CCN(CC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024384070	0	56	0.0	-64.82	440.62	0.85	-63.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024384154	0	52	0.0	-66.34	419.90	-0.90	-67.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCC(C)(O)C1	REAL300024384154	1	52	0.0	-67.26	420.40	-0.89	-68.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1C[NH+](C)C1	REAL300024384184	0	48	0.0	-66.95	395.30	1.54	-65.41
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300024384188	0	55	0.0	-66.46	435.99	3.64	-62.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@H+]1C1CCCC1	REAL300024384188	1	55	0.0	-66.83	424.36	3.22	-63.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+](C)C	REAL300024384196	0	44	0.0	-67.70	363.87	0.68	-67.02
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[N@H+](C)CCO	REAL300024384220	0	51	0.0	-69.23	414.30	-1.27	-70.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[N@@H+](C)CCO	REAL300024384220	1	51	0.0	-67.64	414.28	-1.28	-68.92
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL300024384221	0	47	0.0	-64.75	380.41	1.07	-63.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CCCC[N@@H+]1C	REAL300024384238	0	54	0.0	-59.89	415.59	2.79	-57.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CCCC[N@H+]1C	REAL300024384238	1	54	0.0	-68.70	423.22	2.90	-65.80
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)[NH+]1CC(C)C1	REAL300024384255	0	51	0.0	-64.96	408.15	2.09	-62.87
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCC1C	REAL300024384257	1	48	0.0	-65.27	389.60	1.47	-63.80
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCC1C	REAL300024384257	1	48	0.0	-65.58	395.18	1.76	-63.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=CC[NH+](C)C	REAL300024384268	0	48	0.0	-71.57	400.28	1.96	-69.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CC(C)(C)C1	REAL300024384278	1	51	0.0	-67.55	414.27	2.25	-65.30
CC1=C(C)[NH+]=C(CCC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024384291	1	52	0.0	-62.55	434.09	2.01	-60.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CSCC[NH+](C)C	REAL300024384308	0	51	0.0	-71.95	430.77	2.69	-69.26
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCCC1CO	REAL300024384330	0	52	0.0	-66.07	417.00	-0.71	-66.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCCC1CO	REAL300024384330	1	52	0.0	-65.81	418.66	-0.78	-66.59
CC[NH+](CC)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024384334	0	50	0.0	-65.30	399.70	2.04	-63.26
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCC1	REAL300024384344	1	45	0.0	-67.70	373.95	1.10	-66.60
CC[NH+](CC)CCC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024384382	0	53	0.0	-67.82	417.47	2.37	-65.45
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024384436	0	52	0.0	-70.20	425.86	2.26	-67.94
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2COCC[N@@H+]2C1	REAL300024384456	0	53	0.0	-69.13	419.13	0.86	-68.27
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2COCC[N@H+]2C1	REAL300024384456	1	53	0.0	-67.50	418.74	0.91	-66.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)[NH+]1CCC1	REAL300024384466	0	48	0.0	-69.31	388.02	1.65	-67.66
CCC(CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024384471	0	56	0.0	-68.35	435.48	3.20	-65.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)(C)C[NH+](C)C	REAL300024384479	0	53	0.0	-67.14	395.16	2.19	-64.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024384529	0	51	0.0	-65.33	404.22	2.29	-63.04
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CCCC[N@H+]1C	REAL300024384529	1	51	0.0	-66.01	389.16	1.86	-64.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@@H+]2CCN1CC2C	REAL300024384541	0	54	0.0	-73.91	412.09	-0.76	-74.67
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@H+]2CCN1CC2C	REAL300024384541	1	54	0.0	-66.98	408.85	-0.76	-67.74
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC(O)C[NH+](C)C	REAL300024384561	0	51	0.0	-71.17	416.57	-0.29	-71.46
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300024384563	0	55	0.0	-61.77	383.96	2.89	-58.88
C=CCC(C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024384591	0	51	0.0	-64.67	405.05	2.06	-62.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024384597	0	55	0.0	-66.05	428.34	3.26	-62.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024384597	1	55	0.0	-65.07	428.16	3.31	-61.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1(C)CC[NH+](C)CC1	REAL300024384608	0	54	0.0	-64.18	401.96	2.55	-61.63
CC(CNC(=O)CSC(N)=[NH2+])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384633	0	42	0.0	-62.07	372.39	-2.36	-64.43
CC(CNC(=O)C1CCC([NH+](C)C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384669	0	57	0.0	-63.98	442.69	3.58	-60.40
CC(CNC(=O)C1(CC[NH+](C)C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384670	0	54	0.0	-62.14	439.82	2.95	-59.19
CC(CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384671	0	57	0.0	-62.67	436.14	3.44	-59.23
CC(CNC(=O)CC1CC=CC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384672	0	52	0.0	-63.37	415.08	2.82	-60.55
CC(CNC(=O)CC1CC=CC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384672	1	52	0.0	-63.37	415.08	2.82	-60.55
CC(CNC(=O)[C@@H](C)OCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384693	0	54	0.0	-63.27	439.54	2.50	-60.77
CC(CNC(=O)C1CC2CCC(C1)[NH+]2C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384716	0	55	0.0	-58.38	406.50	3.26	-55.12
CCC1C[NH+](CC(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024384806	1	51	0.0	-62.04	416.52	2.62	-59.42
CC(CNC(=O)C1([NH+]2CCCC2)CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384808	0	55	0.0	-55.85	423.87	3.47	-52.38
CC(CNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384815	1	48	0.0	-59.29	389.67	1.77	-57.52
CC(CNC(=O)CC[N@H+]1CCC(F)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384822	1	51	0.0	-65.38	418.45	2.57	-62.81
CC(CNC(=O)CC[NH+]1CCCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384836	0	57	0.0	-63.48	437.89	3.38	-60.10
CC(CNC(=O)C[NH+]1CCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384838	0	51	0.0	-60.53	405.96	2.65	-57.88
CC(CNC(=O)C1CC[N@H+](C)C1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384846	0	51	0.0	-61.41	409.87	2.31	-59.10
CC(CNC(=O)C1CC[N@@H+](C)C1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384846	1	51	0.0	-61.40	405.05	1.97	-59.43
CC(CNC(=O)CCC1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384848	0	57	0.0	-63.33	444.88	3.67	-59.66
CC(CNC(=O)CCC1CCCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384848	1	57	0.0	-63.22	445.23	3.69	-59.53
CC(CNC(=O)C1CC[N@@H+]2CCOCC12)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384869	0	53	0.0	-64.08	422.79	1.04	-63.04
CC(CNC(=O)C1CC[N@H+]2CCOCC12)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384869	1	53	0.0	-61.31	419.00	1.07	-60.24
CC(CNC(=O)CC1COCCN1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384885	0	52	0.0	-60.44	406.98	0.44	-60.00
CC(CNC(=O)CC1COCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384885	1	52	0.0	-60.39	407.00	0.44	-59.95
CC(CNC(=O)CC1COCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384885	1	52	0.0	-60.44	406.98	0.44	-60.00
CC1=C(C)[NH+]=C(CCC(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024384892	1	52	0.0	-57.87	434.11	2.05	-55.82
CCOCC(N=[N+]=[N-])C(=O)NCC(C)N(C)C(=O)CSC1=NC(=O)NN1	REAL300024384896	0	48	0.0	-21.10	417.05	-2.96	-24.06
CC(CNC(=O)CSCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384960	0	51	0.0	-67.78	430.75	2.70	-65.08
CC(CNC(=O)C1CC2COCC[N@@H+]2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384966	0	53	0.0	-61.62	422.21	1.12	-60.50
CC(CNC(=O)C1CC2COCC[N@H+]2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384966	1	53	0.0	-61.61	422.25	1.13	-60.48
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCC[N@H+]1C	REAL300024385128	1	52	0.0	-69.75	412.39	2.73	-67.02
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1C[N@H+](C)CCO1	REAL300024385152	1	53	0.0	-88.93	424.14	2.22	-86.71
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1C[N@@H+](C)CCO1	REAL300024385152	1	53	0.0	-73.03	413.87	2.24	-70.79
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385291	1	50	0.0	-58.46	413.01	3.56	-54.90
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)CC[N@@H+]1C	REAL300024385309	0	55	0.0	-68.78	420.18	2.93	-65.85
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)CC[N@H+]1C	REAL300024385309	1	55	0.0	-67.71	426.42	3.20	-64.51
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1([NH+](C)C)CCC1	REAL300024385329	0	55	0.0	-79.78	419.16	3.32	-76.46
CC(C)[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024385331	0	57	0.0	-63.43	426.82	3.57	-59.86
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@H+](C)C1CCC1	REAL300024385340	0	55	0.0	-60.57	429.82	3.94	-56.63
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@@H+](C)C1CCC1	REAL300024385340	1	55	0.0	-59.24	429.66	3.92	-55.32
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CC[NH+](C)CC1	REAL300024385364	0	55	0.0	-64.30	428.17	3.61	-60.69
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCCC[N@@H+]1C	REAL300024385370	0	55	0.0	-70.72	428.65	3.36	-67.36
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCCC[N@H+]1C	REAL300024385370	1	55	0.0	-69.39	428.70	3.37	-66.02
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385387	1	50	0.0	-64.23	413.34	4.29	-59.94
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1CC[N@H+](C)C1	REAL300024385397	0	55	0.0	-66.52	429.74	3.56	-62.96
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1CC[N@@H+](C)C1	REAL300024385397	1	55	0.0	-67.87	430.10	3.55	-64.32
CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024385400	0	54	0.0	-69.76	417.15	2.78	-66.98
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CCCC[NH+](C)C	REAL300024385414	0	57	0.0	-67.46	448.95	4.08	-63.38
CC(C)C(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024385417	0	57	0.0	-72.30	435.79	4.00	-68.30
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385418	0	57	0.0	-64.70	445.17	3.90	-60.80
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385418	1	57	0.0	-64.34	445.18	3.89	-60.45
CCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385419	0	54	0.0	-61.62	422.79	3.35	-58.27
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385419	1	54	0.0	-61.74	422.81	3.35	-58.39
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024385434	0	52	0.0	-70.48	413.06	2.83	-67.65
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@H]1CCC[N@H+]1C	REAL300024385434	1	52	0.0	-56.79	403.53	2.49	-54.30
CC[NH+](CC)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385446	0	54	0.0	-60.60	415.17	3.02	-57.58
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1(C[NH+](C)C)CC1	REAL300024385500	0	55	0.0	-69.59	432.13	3.59	-66.00
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CC[NH+](C)CC1	REAL300024385522	0	55	0.0	-64.30	428.17	3.61	-60.69
CC(C)[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024385537	0	57	0.0	-71.30	430.32	3.31	-67.99
CC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385564	0	54	0.0	-64.05	423.67	3.15	-60.90
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385564	1	54	0.0	-63.78	423.68	3.15	-60.63
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385574	0	55	0.0	-70.97	432.03	3.57	-67.40
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385574	1	55	0.0	-59.13	422.27	3.32	-55.81
CC1CC[N@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)C1	REAL300024385575	0	55	0.0	-72.76	432.74	3.51	-69.25
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)C1	REAL300024385575	1	55	0.0	-61.00	429.46	3.71	-57.29
CC[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024385577	0	54	0.0	-69.29	416.95	2.79	-66.50
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[NH+](C)C	REAL300024385613	0	48	0.0	-62.32	383.58	1.94	-60.38
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N+]1=CN(C)C=C1	REAL300024385614	0	50	0.0	-59.11	414.82	5.45	-53.66
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCC[N@H+](C)C1	REAL300024385617	0	55	0.0	-59.95	421.86	3.76	-56.19
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCC[N@@H+](C)C1	REAL300024385617	1	55	0.0	-75.01	431.30	3.38	-71.63
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+]1CCC1	REAL300024385624	1	52	0.0	-58.91	411.34	2.99	-55.92
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C(C)(C)C[NH+](C)C	REAL300024385627	0	57	0.0	-63.73	430.54	3.64	-60.09
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@H+](C)C1CC1	REAL300024385634	0	52	0.0	-71.11	416.12	3.19	-67.92
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@@H+](C)C1CC1	REAL300024385634	1	52	0.0	-70.18	415.98	3.18	-67.00
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1C[NH+](C)C1	REAL300024385645	0	52	0.0	-62.67	414.68	2.68	-59.99
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024385657	0	51	0.0	-58.41	401.68	2.35	-56.06
CC1CCN(C(=O)CSC2=NC(=O)NN2)CC1NC(=O)CN=[N+]=[N-]	REAL300024385664	0	42	0.0	-23.96	360.55	-2.46	-26.42
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024385695	0	51	0.0	-58.41	401.68	2.35	-56.06
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024385698	0	55	0.0	-70.72	428.65	3.36	-67.36
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024385698	1	55	0.0	-70.45	419.36	3.20	-67.25
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C=C1CC[N@H+](C)C1	REAL300024385734	0	53	0.0	-77.60	424.61	3.36	-74.24
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C=C1CC[N@@H+](C)C1	REAL300024385734	1	53	0.0	-68.55	422.46	3.50	-65.05
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024385752	0	51	0.0	-58.32	401.74	2.36	-55.96
CC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)C1	REAL300024385768	1	52	0.0	-61.64	414.83	3.05	-58.59
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@H+](C)CCO	REAL300024385781	1	52	0.0	-63.60	411.66	-0.63	-64.23
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@@H+](C)CCO	REAL300024385781	1	52	0.0	-62.59	411.44	-0.64	-63.23
CC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)C[NH+](C)C	REAL300024385793	0	57	0.0	-69.98	440.70	3.93	-66.05
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385795	0	51	0.0	-61.38	401.30	2.61	-58.77
CC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385795	1	51	0.0	-61.35	401.31	2.61	-58.74
CC[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)C1CC1	REAL300024385805	0	55	0.0	-69.79	435.32	3.81	-65.98
CC[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)C1CC1	REAL300024385805	1	55	0.0	-58.97	429.95	3.92	-55.05
CC[NH+](CC)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385811	0	57	0.0	-63.08	437.18	3.58	-59.50
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C=CC[NH+](C)C	REAL300024385826	0	52	0.0	-69.32	419.54	3.18	-66.14
CC(CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024385843	0	57	0.0	-65.10	440.86	3.66	-61.44
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385847	1	52	0.0	-58.34	407.42	2.81	-55.53
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385847	1	52	0.0	-58.37	408.12	2.59	-55.78
C=CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024385868	0	55	0.0	-73.60	433.35	3.45	-70.15
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[NH+]1CC2CC2C1	REAL300024385876	0	53	0.0	-61.18	418.91	3.82	-57.36
CCCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024385881	0	57	0.0	-73.49	440.85	3.69	-69.80
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C(C)(C)[NH+](C)C	REAL300024385883	0	54	0.0	-60.28	406.67	2.98	-57.30
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCCC[N@@H+]1C	REAL300024385893	0	55	0.0	-70.72	428.65	3.36	-67.36
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCCC[N@H+]1C	REAL300024385893	1	55	0.0	-69.39	428.70	3.37	-66.02
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1([NH+](C)C)CC1	REAL300024385929	0	52	0.0	-68.64	408.39	3.07	-65.57
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC[NH+]1CCCC1	REAL300024385930	0	55	0.0	-63.58	431.91	3.67	-59.91
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024385940	0	53	0.0	-79.10	417.63	2.88	-76.22
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C12CC(C1)C[N@H+]2C	REAL300024385940	1	53	0.0	-66.77	415.84	3.10	-63.67
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385975	0	54	0.0	-65.00	421.99	3.21	-61.79
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+]1CC(C)C1	REAL300024385995	1	55	0.0	-59.16	432.21	3.62	-55.54
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385996	1	52	0.0	-71.30	412.50	2.60	-68.70
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024385996	1	52	0.0	-61.58	414.84	3.02	-58.56
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024386027	0	55	0.0	-76.05	436.38	3.51	-72.54
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024386028	0	57	0.0	-66.44	443.63	3.84	-62.60
CC1CCN(C(=O)C2CCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386197	0	52	0.0	-68.33	406.30	2.70	-65.63
CC1CCN(C(=O)C2CCC[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386197	1	52	0.0	-53.59	408.54	2.71	-50.88
CC1CCN(C(=O)C2C[N@H+](C)CCO2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386223	1	53	0.0	-89.13	416.40	2.08	-87.05
CC1CCN(C(=O)C2C[N@@H+](C)CCO2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386223	1	53	0.0	-81.51	412.68	1.74	-79.77
CC1CCN(C(=O)CC2CC[N@H+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386373	0	55	0.0	-75.56	429.45	3.51	-72.05
CC1CCN(C(=O)CC2CC[N@@H+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386373	1	55	0.0	-79.14	432.60	3.32	-75.82
CCC(C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024386376	0	54	0.0	-66.97	411.79	2.75	-64.22
CC1CCN(C(=O)CCCC[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386386	0	57	0.0	-75.75	448.94	4.02	-71.73
CC(C)C(C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024386389	0	57	0.0	-72.30	423.04	3.36	-68.94
CCC[N@H+](C)CCC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386390	0	57	0.0	-75.34	445.15	3.85	-71.49
CCC[N@@H+](C)CCC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386390	1	57	0.0	-75.36	445.17	3.86	-71.50
CCC[N@H+](C)CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386391	0	54	0.0	-71.76	422.79	3.24	-68.52
CCC[N@@H+](C)CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386391	1	54	0.0	-71.76	422.80	3.25	-68.51
CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386430	0	55	0.0	-70.87	431.47	3.34	-67.53
CC[N@H+](C)CCC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386436	0	54	0.0	-74.56	423.66	3.11	-71.45
CC[N@@H+](C)CCC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386436	1	54	0.0	-74.53	423.66	3.12	-71.41
CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386458	0	55	0.0	-62.21	427.48	3.40	-58.81
CC(C)[C@H](C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024386473	0	57	0.0	-71.88	429.91	3.22	-68.66
CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386495	0	55	0.0	-75.67	406.27	2.93	-72.74
CC1CCC[N@@H+]1CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386519	0	55	0.0	-68.83	429.62	3.51	-65.32
CC1CCC[N@H+]1CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386519	1	55	0.0	-71.56	432.01	3.45	-68.11
CC(C)[C@@H](C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024386530	0	57	0.0	-74.90	426.19	3.23	-71.67
CC1CC[N@H+](CC(=O)N2CCC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024386538	0	55	0.0	-70.78	428.94	3.54	-67.24
CC1CC[N@@H+](CC(=O)N2CCC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024386538	1	55	0.0	-71.14	429.59	3.56	-67.58
CC[C@@H](C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024386540	0	54	0.0	-69.94	411.05	2.49	-67.45
CC1=[NH+]C=CN1CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386577	1	50	0.0	-66.82	412.97	3.44	-63.38
CC1=C[NH+]=CN1CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386595	1	50	0.0	-71.17	413.32	4.18	-66.99
C[C@@H]1[C@H](C(=O)N2CCC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024386596	0	55	0.0	-73.26	413.20	3.52	-69.74
C[C@@H]1[C@H](C(=O)N2CCC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024386596	1	55	0.0	-76.34	424.03	3.06	-73.28
CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386626	0	55	0.0	-70.06	429.80	3.82	-66.24
CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386626	1	55	0.0	-69.67	429.68	3.83	-65.84
CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386632	0	55	0.0	-62.21	427.48	3.40	-58.81
CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386645	0	52	0.0	-68.28	406.29	2.70	-65.58
CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386645	1	52	0.0	-71.48	402.68	2.37	-69.11
CC1CCN(C(=O)C2CCCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386688	0	55	0.0	-69.02	426.01	3.19	-65.83
CC1CCN(C(=O)C2CCCC[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386688	1	55	0.0	-73.89	416.21	3.07	-70.82
CC1C(C(=O)N2CCC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024386717	0	55	0.0	-74.63	426.37	3.11	-71.52
CC1C(C(=O)N2CCC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024386717	1	55	0.0	-74.33	424.08	2.76	-71.57
C[C@@H](C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024386758	0	51	0.0	-70.39	400.27	2.23	-68.16
CC1CCN(C(=O)CC[NH+]2CCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386776	0	55	0.0	-73.82	431.90	3.61	-70.21
CC1CCN(C(=O)C[N@H+](C)CCO)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386781	1	52	0.0	-72.07	411.66	-0.72	-72.79
CC1CCN(C(=O)C[N@@H+](C)CCO)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386781	1	52	0.0	-72.16	411.44	-0.73	-72.89
CC1C[NH+](CC(=O)N2CCC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024386824	1	52	0.0	-74.79	418.00	2.75	-72.04
CC[N@H+](C)CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386856	0	51	0.0	-71.44	401.29	2.50	-68.94
CC[N@@H+](C)CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386856	1	51	0.0	-71.44	401.30	2.51	-68.93
CC(CCC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024386909	0	57	0.0	-78.35	437.23	3.61	-74.74
CC[N@H+](CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024386914	0	55	0.0	-68.64	432.72	3.87	-64.77
CC[N@@H+](CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024386914	1	55	0.0	-70.25	424.91	3.75	-66.50
CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386927	0	53	0.0	-75.17	410.40	2.86	-72.31
CC1CCN(C(=O)C23CC(C2)C[N@H+]3C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386927	1	53	0.0	-77.46	410.56	2.87	-74.59
CC(C[NH+](C)C)C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386936	0	54	0.0	-76.31	422.76	3.01	-73.30
CC1CCN(C(=O)C2([NH+](C)C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386942	0	52	0.0	-77.16	405.66	2.33	-74.83
C[C@H](C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024386952	0	51	0.0	-68.84	398.86	2.14	-66.70
CC[N@@H+]1CCC1C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386955	1	52	0.0	-70.80	405.15	2.39	-68.41
CC[N@H+]1CCC1C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386955	1	52	0.0	-72.80	408.46	2.22	-70.58
CC1CCN(C(=O)C2=C[NH+]=CC=C2N)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386966	0	48	0.0	-74.85	394.46	-0.24	-75.09
CCCC(C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024386970	0	57	0.0	-67.56	433.29	3.50	-64.06
CC1CCN(C(=O)C(C)(C)[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386973	0	54	0.0	-77.83	404.53	2.54	-75.29
CC(CC[NH+](C)C)C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024386982	0	57	0.0	-76.31	444.41	3.64	-72.67
CC1CCN(C(=O)C[NH+]2CC3CC3C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387041	0	53	0.0	-72.13	419.03	3.72	-68.41
CC1CCN(C(=O)C2CCCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387049	0	55	0.0	-69.02	426.01	3.19	-65.83
CC1CCN(C(=O)C2CCCC[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387049	1	55	0.0	-73.89	416.21	3.07	-70.82
CC1CCN(C(=O)C=C2CC[N@H+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387074	0	53	0.0	-79.45	423.42	3.29	-76.16
CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387074	1	53	0.0	-74.75	420.22	3.43	-71.32
CC1CCN(C(=O)CN=[N+]=[N-])CC1NC(=O)CSC1=NC(=O)NN1	REAL300024387081	0	42	0.0	-26.82	363.69	-2.73	-29.55
CCC1C[NH+](CC(=O)N2CCC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024387097	0	55	0.0	-75.82	439.37	3.52	-72.30
CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387102	0	52	0.0	-72.91	405.35	2.21	-70.70
CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387102	1	52	0.0	-71.67	411.35	2.53	-69.14
CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387142	0	55	0.0	-78.18	435.88	3.42	-74.76
CC1CCN(C(=O)C[NH+]2CCCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387183	0	55	0.0	-71.80	425.29	3.70	-68.10
CC1CCN(C(=O)C2CCC[N@H+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387184	0	55	0.0	-73.70	427.55	3.38	-70.32
CC1CCN(C(=O)C2CCC[N@@H+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387184	1	55	0.0	-73.09	426.68	3.32	-69.77
CC1CCN(C(=O)C[N+]2=CN(C)C=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387185	0	50	0.0	-67.69	414.82	5.35	-62.34
CC1CCN(C(=O)C[N@H+](C)C2CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387195	0	52	0.0	-69.06	412.99	3.24	-65.82
CC1CCN(C(=O)C[N@@H+](C)C2CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387195	1	52	0.0	-68.68	412.83	3.25	-65.43
CC(CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024387203	0	57	0.0	-74.80	440.61	3.90	-70.90
CC1CCN(C(=O)CC2C[NH+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387252	0	52	0.0	-72.27	414.87	2.70	-69.57
CC1CCN(C(=O)C[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387259	0	48	0.0	-71.95	383.57	1.84	-70.11
C[C@@H](C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024387267	0	51	0.0	-70.39	400.27	2.23	-68.16
CC(C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024387281	0	55	0.0	-69.60	432.78	3.35	-66.25
CC1CC[N@@H+]1CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024387282	1	52	0.0	-69.63	409.32	2.64	-66.99
CC1CC[N@H+]1CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024387282	1	52	0.0	-72.17	412.52	2.49	-69.68
CC1CCN(C(=O)C=CC[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387284	0	52	0.0	-76.92	418.47	3.07	-73.85
CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387288	1	55	0.0	-72.78	433.94	3.40	-69.38
CC[NH+](CC)CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024387301	0	54	0.0	-69.89	414.93	2.90	-66.99
CC1CCN(C(=O)C[NH+]2CCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387306	1	49	0.0	-72.28	393.86	2.30	-69.98
CC[NH+](CC)CCC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024387324	0	57	0.0	-73.54	441.53	3.81	-69.73
CC(C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024387352	1	52	0.0	-70.03	404.06	2.41	-67.62
CC1CCN(C(=O)C(C)(C)C[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387356	0	57	0.0	-63.46	420.33	2.91	-60.55
CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387376	0	55	0.0	-69.87	427.30	3.29	-66.58
CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387376	1	55	0.0	-71.09	416.08	2.72	-68.37
C=CCC(C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024387395	0	55	0.0	-66.23	425.02	3.22	-63.01
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CSC(N)=[NH2+]	REAL300024387418	0	46	0.0	-64.23	391.51	-1.12	-65.35
CCC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)C1	REAL300024387473	1	55	0.0	-74.53	439.41	3.63	-70.90
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024387477	0	52	0.0	-64.71	403.60	2.50	-62.21
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024387477	1	52	0.0	-60.20	409.29	2.92	-57.28
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[NH+]1CCCCC1	REAL300024387484	0	55	0.0	-60.80	425.31	3.81	-56.99
CC1C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)CC[N@@H+]1C	REAL300024387488	0	55	0.0	-67.23	420.37	3.12	-64.11
CC1C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)CC[N@H+]1C	REAL300024387488	1	55	0.0	-58.45	429.18	3.54	-54.91
CC(C)C(CCN(C)C(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387627	0	57	0.0	-70.16	439.83	3.19	-66.97
CC(C)C(CCN(C)C(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387627	1	57	0.0	-71.03	446.74	3.84	-67.19
CC(C)C(CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387720	0	57	0.0	-70.04	442.85	3.51	-66.53
CC(C)C(CCN(C)C(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387720	1	57	0.0	-72.30	443.20	3.50	-68.80
CC(C)C(CCN(C)C(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387795	0	53	0.0	-73.39	420.43	2.65	-70.74
CC(C)C(CCN(C)C(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387799	0	57	0.0	-70.88	446.10	3.55	-67.33
CC(C)C(CCN(C)C(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387804	0	57	0.0	-70.11	449.70	4.05	-66.06
CC(C)C(CCN(C)C(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387804	1	57	0.0	-69.87	449.70	4.06	-65.81
CC(C)C(CCN(C)C(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387809	0	57	0.0	-71.82	451.68	3.90	-67.92
CC(C)C(CCN(C)C(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387816	0	56	0.0	-72.08	435.80	3.42	-68.66
CC(C)C(CCN(C)C(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024387819	0	47	0.0	-25.35	401.33	-1.54	-26.89
CC(C)C(CCN(C)C(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387836	0	56	0.0	-72.08	435.80	3.42	-68.66
CC(C)C(CCN(C)C(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387848	1	54	0.0	-73.00	430.26	3.05	-69.95
CC(C)C(CCN(C)C(=O)[C@@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387856	0	56	0.0	-69.66	436.61	3.01	-66.65
CC(C)C(CCN(C)C(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387862	1	57	0.0	-71.74	451.43	3.72	-68.02
CC[N@H+](C)CC(=O)N(C)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024387877	0	56	0.0	-71.30	438.16	3.31	-67.99
CC[N@@H+](C)CC(=O)N(C)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024387877	1	56	0.0	-72.46	437.89	3.30	-69.16
CC(C)C(CCN(C)C(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387892	0	57	0.0	-76.49	455.31	3.87	-72.62
CC[N@@H+]1CCC1C(=O)N(C)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024387896	0	57	0.0	-72.50	450.28	3.52	-68.98
CC[N@H+]1CCC1C(=O)N(C)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024387896	1	57	0.0	-73.33	454.10	3.83	-69.50
CC(C)C(CCN(C)C(=O)C1([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387925	0	57	0.0	-74.09	441.11	3.66	-70.43
CC(C)C(CCN(C)C(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387948	0	57	0.0	-70.82	446.21	3.45	-67.37
CC(C)C(CCN(C)C(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387948	1	57	0.0	-69.11	446.08	3.85	-65.26
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C	REAL300024388048	0	57	0.0	-61.63	446.72	3.80	-57.83
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300024388048	1	57	0.0	-71.32	446.12	3.68	-67.64
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024388198	0	57	0.0	-61.00	445.84	3.66	-57.34
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300024388198	1	57	0.0	-73.83	439.66	3.60	-70.23
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024388249	0	56	0.0	-62.92	435.04	3.01	-59.91
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)C1	REAL300024388270	1	57	0.0	-75.76	454.97	4.12	-71.64
CC[N@H+](C)CC(=O)NC(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024388287	0	56	0.0	-63.87	441.82	3.59	-60.28
CC[N@@H+](C)CC(=O)NC(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024388287	1	56	0.0	-74.86	437.89	3.37	-71.49
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CC1	REAL300024388313	0	57	0.0	-62.55	444.04	3.66	-58.89
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)[NH+](C)C	REAL300024388317	0	56	0.0	-62.61	438.33	3.11	-59.50
CC[N@@H+]1CCC1C(=O)NC(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024388319	1	57	0.0	-74.51	451.86	3.69	-70.82
CC[N@H+]1CCC1C(=O)NC(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024388319	1	57	0.0	-74.60	452.09	3.70	-70.90
CC(C)C(CCN(C)C(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300024388364	0	47	0.0	-25.08	397.40	-1.67	-26.75
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024388375	0	57	0.0	-62.93	443.99	3.61	-59.32
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024388375	1	57	0.0	-71.97	446.36	3.77	-68.20
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CC1	REAL300024388406	0	57	0.0	-73.11	449.37	4.52	-68.59
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CC1	REAL300024388406	1	57	0.0	-61.87	449.57	4.12	-57.75
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300024388428	0	57	0.0	-66.03	451.87	3.54	-62.49
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+](C)C	REAL300024388431	0	53	0.0	-76.00	423.96	3.05	-72.95
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024388434	0	56	0.0	-62.92	435.04	3.01	-59.91
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC1C	REAL300024388441	1	57	0.0	-73.82	451.76	3.82	-70.00
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC1C	REAL300024388441	1	57	0.0	-62.08	446.20	3.54	-58.54
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300024388442	0	57	0.0	-78.24	457.64	3.99	-74.25
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCC1	REAL300024388465	1	57	0.0	-62.19	454.35	3.87	-58.32
CC(C)C(CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024388519	0	57	0.0	-74.60	442.81	3.49	-71.11
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[N-]=[N+]=NCC(=O)N1CCC(OCCCNC(=O)CSC2=NC(=O)NN2)CC1	REAL300024388567	0	49	0.0	-25.86	421.10	-2.81	-28.67
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CC[N@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024388865	0	57	0.0	-69.18	439.74	2.84	-66.34
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CC[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+](C)C	REAL300024388868	0	57	0.0	-64.73	429.47	2.76	-61.97
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[N-]=[N+]=NCC(=O)NC1(CNC(=O)CSC2=NC(=O)NN2)CCCCC1	REAL300024388908	0	45	0.0	-24.29	376.60	-2.75	-27.04
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CC1CC[N@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024389601	1	55	0.0	-68.19	431.02	2.75	-65.44
C[NH+](C)CC=CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024389602	0	55	0.0	-70.79	436.86	2.89	-67.90
CC[NH+](CC)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024389608	0	57	0.0	-66.21	435.06	2.92	-63.29
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+]1CCC1	REAL300024389631	1	55	0.0	-66.73	429.66	2.66	-64.07
C[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024389695	0	55	0.0	-65.94	424.43	2.60	-63.34
C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024389695	1	55	0.0	-65.99	419.29	2.14	-63.85
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C	REAL300024389866	0	54	0.0	-66.82	427.41	1.52	-65.30
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300024389866	1	54	0.0	-69.04	423.14	1.33	-67.71
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=C[NH+]=C1C	REAL300024390017	1	52	0.0	-64.90	436.81	2.59	-62.31
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024390035	0	57	0.0	-70.93	438.67	2.14	-68.79
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024390035	1	57	0.0	-67.90	450.19	2.21	-65.69
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCC1	REAL300024390052	0	57	0.0	-68.30	439.74	2.16	-66.14
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCC1	REAL300024390062	0	57	0.0	-66.95	453.53	2.95	-64.00
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCC1	REAL300024390062	1	57	0.0	-66.68	453.59	2.95	-63.73
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024390083	0	57	0.0	-71.33	451.98	2.62	-68.71
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024390089	0	57	0.0	-64.73	449.34	2.56	-62.17
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024390089	1	57	0.0	-66.10	435.21	2.24	-63.86
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=[NH+]C=C1C	REAL300024390106	1	52	0.0	-68.29	436.09	3.27	-65.02
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300024390115	0	57	0.0	-70.29	453.82	2.55	-67.74
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300024390115	1	57	0.0	-69.61	454.32	2.54	-67.07
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(CC)[NH+](C)C	REAL300024390118	0	56	0.0	-66.75	436.38	1.90	-64.85
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCC	REAL300024390134	0	56	0.0	-69.15	446.61	2.38	-66.77
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCC	REAL300024390134	1	56	0.0	-68.85	446.60	2.38	-66.47
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024390148	0	54	0.0	-65.30	432.47	2.03	-63.27
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300024390148	1	54	0.0	-66.72	427.38	1.52	-65.20
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+](CC)CC	REAL300024390160	0	56	0.0	-66.75	446.29	2.44	-64.31
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CC1	REAL300024390212	0	57	0.0	-70.92	455.55	2.80	-68.12
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024390233	0	57	0.0	-71.33	451.98	2.62	-68.71
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)CC	REAL300024390270	0	56	0.0	-69.29	447.47	2.16	-67.13
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)CC	REAL300024390270	1	56	0.0	-69.27	447.47	2.18	-67.09
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300024390278	0	57	0.0	-65.71	446.07	2.33	-63.38
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1C	REAL300024390278	1	57	0.0	-66.30	452.63	2.75	-63.55
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300024390279	0	57	0.0	-68.19	452.71	2.64	-65.55
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)C1	REAL300024390279	1	57	0.0	-67.78	453.62	2.60	-65.18
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](CC)[NH+](C)C	REAL300024390281	0	56	0.0	-66.57	436.60	1.94	-64.63
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+](C)C	REAL300024390312	0	50	0.0	-69.11	407.38	0.97	-68.14
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N+]1=CN(C)C=C1	REAL300024390313	0	52	0.0	-66.58	438.61	4.47	-62.11
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C)C1	REAL300024390316	0	57	0.0	-68.37	451.94	2.57	-65.80
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C)C1	REAL300024390316	1	57	0.0	-62.82	445.71	2.81	-60.01
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCC1	REAL300024390323	1	54	0.0	-66.11	437.39	1.89	-64.22
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CC1	REAL300024390331	0	54	0.0	-66.80	436.78	2.38	-64.42
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CC1	REAL300024390331	1	54	0.0	-66.79	436.78	2.38	-64.41
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300024390341	0	54	0.0	-68.21	438.82	1.78	-66.43
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024390352	0	53	0.0	-67.70	422.28	1.26	-66.44
CCCCC(CNC(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300024390359	0	44	0.0	-22.88	384.34	-3.44	-26.32
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024390390	0	53	0.0	-67.70	422.28	1.26	-66.44
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024390393	0	57	0.0	-64.76	449.35	2.56	-62.20
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024390393	1	57	0.0	-66.06	435.11	2.24	-63.82
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC1	REAL300024390418	1	51	0.0	-68.91	417.44	1.39	-67.52
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@H+](C)C1	REAL300024390425	0	55	0.0	-70.64	445.24	2.54	-68.10
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300024390425	1	55	0.0	-70.57	445.26	2.53	-68.04
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)[NH+](C)C	REAL300024390442	0	53	0.0	-66.52	425.54	1.36	-65.16
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)C1	REAL300024390456	1	54	0.0	-68.68	438.64	2.06	-66.62
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCO	REAL300024390469	1	54	0.0	-69.61	435.46	-1.60	-71.21
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCO	REAL300024390469	1	54	0.0	-68.53	435.24	-1.61	-70.14
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CC	REAL300024390481	0	53	0.0	-68.58	425.11	1.63	-66.95
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CC	REAL300024390481	1	53	0.0	-68.60	425.11	1.62	-66.98
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](CC)C1CC1	REAL300024390491	0	57	0.0	-65.99	455.27	3.04	-62.95
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](CC)C1CC1	REAL300024390491	1	57	0.0	-65.19	452.62	2.76	-62.43
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300024390510	0	54	0.0	-71.41	443.33	2.19	-69.22
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1CC	REAL300024390527	1	54	0.0	-66.21	431.93	1.61	-64.60
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1CC	REAL300024390527	1	54	0.0	-66.24	432.20	1.69	-64.55
C=CCC(C(=O)NC(CCCC)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024390546	0	57	0.0	-66.08	449.90	2.41	-63.67
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC2CC2C1	REAL300024390553	0	55	0.0	-68.89	442.72	2.84	-66.05
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+](C)C	REAL300024390558	0	56	0.0	-69.78	433.32	2.12	-67.66
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024390568	0	57	0.0	-64.73	449.34	2.56	-62.17
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024390568	1	57	0.0	-66.10	435.21	2.24	-63.86
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CC1	REAL300024390600	0	54	0.0	-68.57	426.40	2.72	-65.85
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300024390601	0	57	0.0	-68.72	455.70	2.68	-66.04
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024390611	0	55	0.0	-67.98	438.64	2.05	-65.93
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@H+]2C	REAL300024390611	1	55	0.0	-68.60	437.59	2.34	-66.26
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)C[NH+](C)C	REAL300024390645	0	56	0.0	-64.09	445.57	2.32	-61.77
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CC(C)C1	REAL300024390664	1	57	0.0	-66.00	456.57	2.65	-63.35
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC1C	REAL300024390665	1	54	0.0	-67.68	438.71	2.05	-65.63
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC1C	REAL300024390665	1	54	0.0	-66.45	433.18	1.80	-64.65
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024390693	0	57	0.0	-66.74	456.94	2.70	-64.04
CCCCC(CNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024390853	0	54	0.0	-66.16	427.40	1.51	-64.65
CCCCC(CNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024390853	1	54	0.0	-66.12	427.38	1.49	-64.63
CCCCC(CNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391020	0	57	0.0	-69.16	453.67	2.56	-66.60
CCCCC(CNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391020	1	57	0.0	-69.26	453.91	2.54	-66.72
CCCCC(CNC(=O)C(CC)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391023	0	56	0.0	-65.09	438.03	1.95	-63.14
CCCCC(CNC(=O)C[N@H+](C)CCC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391035	0	56	0.0	-67.44	446.60	2.37	-65.07
CCCCC(CNC(=O)C[N@@H+](C)CCC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391035	1	56	0.0	-67.44	446.60	2.37	-65.07
CCCCC(CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391071	0	57	0.0	-66.72	459.01	2.72	-64.00
CCCCC(CNC(=O)CC[N@H+](C)CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391076	0	56	0.0	-68.23	447.47	2.16	-66.07
CCCCC(CNC(=O)CC[N@@H+](C)CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391076	1	56	0.0	-68.23	447.47	2.18	-66.05
CCCCC(CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391098	0	57	0.0	-69.62	451.97	2.62	-67.00
CCCCC(CNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391130	0	57	0.0	-66.65	438.22	2.49	-64.16
CCCCC(CNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391152	0	57	0.0	-64.61	452.56	2.73	-61.88
CCCCC(CNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391152	1	57	0.0	-64.33	453.40	2.62	-61.71
CCCCC(CNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391169	0	57	0.0	-66.68	452.94	2.71	-63.97
CCCCC(CNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391169	1	57	0.0	-66.55	452.94	2.69	-63.86
CCCCC(CNC(=O)[C@H](CC)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391171	0	56	0.0	-65.05	437.61	1.98	-63.07
CCCCC(CNC(=O)CN1C=C[NH+]=C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391206	1	52	0.0	-64.77	436.81	2.57	-62.20
CCCCC(CNC(=O)CN1C=[NH+]C=C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391224	1	52	0.0	-67.16	436.09	3.26	-63.90
CCCCC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391225	0	57	0.0	-68.03	444.95	2.18	-65.85
CCCCC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391225	1	57	0.0	-67.58	450.25	2.21	-65.37
CCCCC(CNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391252	0	57	0.0	-65.68	453.50	2.94	-62.74
CCCCC(CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391252	1	57	0.0	-65.43	453.59	2.93	-62.50
CCCCC(CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391257	0	57	0.0	-69.62	451.97	2.62	-67.00
CCCCC(CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391269	0	54	0.0	-64.50	432.48	2.01	-62.49
CCCCC(CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391269	1	54	0.0	-66.21	427.32	1.50	-64.71
CCCCC(CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391309	0	57	0.0	-64.28	449.32	2.55	-61.73
CCCCC(CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391309	1	57	0.0	-64.26	449.37	2.54	-61.72
CCCCC(CNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391337	0	57	0.0	-67.08	447.56	2.10	-64.98
CCCCC(CNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391337	1	57	0.0	-65.96	448.61	2.16	-63.80
CCCCC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391374	0	53	0.0	-65.91	425.48	1.35	-64.56
CCCCC(CNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391391	0	57	0.0	-67.73	455.71	2.69	-65.04
CCCCC(CNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391396	1	54	0.0	-67.87	435.46	-1.62	-69.49
CCCCC(CNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391396	1	54	0.0	-67.37	435.24	-1.61	-68.98
CCCCC(CNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391434	1	54	0.0	-67.18	438.64	2.06	-65.12
CCCCC(CNC(=O)C[N@H+](C)CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391463	0	53	0.0	-67.10	425.10	1.62	-65.48
CCCCC(CNC(=O)C[N@@H+](C)CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391463	1	53	0.0	-67.01	425.11	1.62	-65.39
CCCCC(CNC(=O)C[N@H+](CC)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391516	0	57	0.0	-64.56	453.75	2.99	-61.57
CCCCC(CNC(=O)C[N@@H+](CC)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391516	1	57	0.0	-63.94	452.61	2.76	-61.18
CCCCC(CNC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391528	0	55	0.0	-65.75	438.21	2.07	-63.68
CCCCC(CNC(=O)C12CC(C1)C[N@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391528	1	55	0.0	-65.47	437.58	2.33	-63.14
CCCCC(CNC(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391537	0	56	0.0	-68.08	445.78	2.23	-65.85
CCCCC(CNC(=O)C1([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391543	0	54	0.0	-66.99	431.15	1.97	-65.02
CCCCC(CNC(=O)[C@@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391552	0	53	0.0	-65.87	425.51	1.38	-64.49
CCCCC(CNC(=O)C1CC[N@@H+]1CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391555	1	54	0.0	-65.93	439.01	1.99	-63.94
CCCCC(CNC(=O)C1CC[N@H+]1CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391555	1	54	0.0	-65.18	432.17	1.68	-63.50
CCCCC(CNC(=O)C1=C[NH+]=CC=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391565	0	50	0.0	-65.14	415.49	-0.57	-65.71
CCCCC(CNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391571	0	56	0.0	-66.36	434.61	2.13	-64.23
CCCCC(CNC(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391632	0	55	0.0	-67.01	442.72	2.84	-64.17
CCCCC(CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391638	0	57	0.0	-64.28	449.32	2.55	-61.73
CCCCC(CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391638	1	57	0.0	-64.26	449.37	2.54	-61.72
CCCCC(CNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391659	0	55	0.0	-70.90	446.22	2.50	-68.40
CCCCC(CNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391659	1	55	0.0	-71.09	445.27	2.52	-68.57
CCCCC(CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024391666	0	44	0.0	-22.66	384.31	-3.44	-26.10
CCCCC(CNC(=O)C[NH+]1CC(CC)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391680	1	57	0.0	-67.89	460.04	2.81	-65.08
CCCCC(CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391685	0	54	0.0	-66.25	427.35	1.50	-64.75
CCCCC(CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391685	1	54	0.0	-64.73	433.18	1.98	-62.75
CCCCC(CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391718	0	57	0.0	-67.72	456.94	2.68	-65.04
CCCCC(CNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391756	0	57	0.0	-66.70	449.48	2.85	-63.85
CCCCC(CNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391757	0	57	0.0	-63.17	445.69	2.78	-60.39
CCCCC(CNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391757	1	57	0.0	-63.10	445.73	2.78	-60.32
CCCCC(CNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391758	0	52	0.0	-65.69	438.60	4.47	-61.22
CCCCC(CNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391768	0	54	0.0	-65.26	436.78	2.37	-62.89
CCCCC(CNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391768	1	54	0.0	-65.29	436.78	2.37	-62.92
CCCCC(CNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391817	0	54	0.0	-68.30	438.82	1.79	-66.51
CCCCC(CNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391823	0	50	0.0	-67.92	407.38	0.96	-66.96
CCCCC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391831	0	53	0.0	-65.91	425.48	1.35	-64.56
CCCCC(CNC(=O)C(C)[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391845	1	57	0.0	-64.75	456.57	2.64	-62.11
CCCCC(CNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391846	1	54	0.0	-66.08	438.71	2.04	-64.04
CCCCC(CNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391846	1	54	0.0	-65.85	438.66	2.07	-63.78
CCCCC(CNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391848	0	54	0.0	-70.69	443.34	2.17	-68.52
CCCCC(CNC(=O)C[NH+](CC)CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391864	0	56	0.0	-65.67	438.96	2.03	-63.64
CCCCC(CNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391869	1	51	0.0	-67.37	417.48	1.39	-65.98
CCCCC(CNC(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391908	1	54	0.0	-65.26	437.38	1.89	-63.37
CCCCC(CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391929	0	57	0.0	-64.44	449.34	2.55	-61.89
CCCCC(CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391929	1	57	0.0	-65.17	440.03	2.37	-62.80
C=CCC(C(=O)NCC(CCCC)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024391948	0	57	0.0	-64.40	451.04	2.44	-61.96
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC(N)=[NH2+]	REAL300024391969	0	48	0.0	-69.02	415.30	-2.09	-71.11
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(CC)C1	REAL300024392018	1	57	0.0	-69.49	460.01	2.83	-66.66
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024392022	0	54	0.0	-67.82	431.50	1.82	-66.00
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024392022	1	54	0.0	-65.21	433.05	1.91	-63.30
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCC1	REAL300024392028	0	57	0.0	-68.34	449.48	2.85	-65.49
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300024392032	0	57	0.0	-72.54	437.65	2.23	-70.31
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300024392032	1	57	0.0	-67.73	453.22	2.56	-65.17
C[N@@H+]1CCCC1C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392171	0	55	0.0	-58.50	421.05	3.87	-54.63
C[N@H+]1CCCC1C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392171	1	55	0.0	-57.77	420.64	4.22	-53.55
CCC(C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024392271	0	57	0.0	-60.13	423.87	4.00	-56.13
CCC[N@H+](C)CC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392276	0	57	0.0	-61.41	434.45	4.30	-57.11
CCC[N@@H+](C)CC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392276	1	57	0.0	-61.71	434.44	4.31	-57.40
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392284	0	55	0.0	-64.56	417.32	3.71	-60.85
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392284	1	55	0.0	-60.04	420.14	4.36	-55.68
CC[NH+](CC)CC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392289	0	57	0.0	-60.50	426.22	3.97	-56.53
CC[N@H+](C)CCC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392345	0	57	0.0	-64.68	435.31	4.13	-60.55
CC[N@@H+](C)CCC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392345	1	57	0.0	-64.38	435.32	4.12	-60.26
CC[C@@H](C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024392348	0	57	0.0	-63.23	428.22	4.08	-59.15
C[NH+](C)CC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392366	0	51	0.0	-62.17	395.23	2.90	-59.27
CC(C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024392370	1	55	0.0	-59.76	424.50	4.42	-55.34
C[N@H+](CC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024392376	0	55	0.0	-59.56	424.48	4.31	-55.25
C[N@@H+](CC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024392376	1	55	0.0	-59.59	424.50	4.31	-55.28
C[NH+]1CC(CC(=O)NCC2CCCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024392382	0	55	0.0	-62.45	426.67	3.73	-58.72
C[C@@H](C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024392389	0	54	0.0	-61.79	414.62	3.74	-58.05
[N-]=[N+]=NCC(=O)NCC1CCCCCN1C(=O)CSC1=NC(=O)NN1	REAL300024392392	0	45	0.0	-24.05	372.19	-1.51	-25.56
C[C@@H](C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024392410	0	54	0.0	-61.79	414.62	3.74	-58.05
O=C(C[NH+]1CCC1)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392428	1	52	0.0	-60.98	407.04	3.62	-57.36
C[C@H](C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024392439	0	54	0.0	-57.96	413.01	3.34	-54.62
CC1C[NH+](CC(=O)NCC2CCCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024392445	1	55	0.0	-60.04	427.03	4.36	-55.68
CC[N@H+](C)CC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392462	0	54	0.0	-59.86	414.68	3.86	-56.00
CC[N@@H+](C)CC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392462	1	54	0.0	-61.46	412.94	3.57	-57.89
C[NH+](C)CC=CC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392478	0	55	0.0	-66.59	431.19	4.11	-62.48
CC[N@@H+]1CCC1C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392484	1	55	0.0	-59.53	419.18	3.87	-55.66
CC[N@H+]1CCC1C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392484	1	55	0.0	-60.68	420.02	3.62	-57.06
C[NH+](C)C(C)(C)C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392497	0	57	0.0	-59.93	420.58	3.76	-56.17
C[NH+](C)C1(C(=O)NCC2CCCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024392519	0	55	0.0	-67.44	418.78	5.03	-62.41
CC(C[NH+](C)C)C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392541	0	57	0.0	-63.96	433.63	4.17	-59.79
CC1CC[N@@H+]1CC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392550	1	55	0.0	-58.27	422.71	4.03	-54.24
CC1CC[N@H+]1CC(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024392550	1	55	0.0	-60.54	427.71	4.43	-56.11
C[N@@H+]1CCCC1C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392659	0	55	0.0	-64.05	413.51	3.47	-60.58
C[N@H+]1CCCC1C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392659	1	55	0.0	-65.34	417.96	3.72	-61.62
CCC(C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024392730	0	57	0.0	-65.08	421.12	3.82	-61.26
CCC[N@H+](C)CC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392733	0	57	0.0	-68.31	434.58	4.23	-64.08
CCC[N@@H+](C)CC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392733	1	57	0.0	-68.54	434.58	4.25	-64.29
CC[N@H+](C)CCC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392749	0	57	0.0	-69.77	435.31	4.08	-65.69
CC[N@@H+](C)CCC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392749	1	57	0.0	-68.71	437.04	4.37	-64.34
CC[C@@H](C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024392774	0	57	0.0	-62.28	422.05	3.97	-58.31
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392811	0	55	0.0	-64.48	409.43	4.05	-60.43
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392811	1	55	0.0	-64.16	418.82	4.02	-60.14
C[C@@H](C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024392855	0	54	0.0	-65.00	402.97	3.17	-61.83
CC1C[NH+](CC(=O)N2CCCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024392879	1	55	0.0	-68.54	427.65	4.37	-64.17
CC[N@H+](C)CC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392895	0	54	0.0	-67.92	413.07	3.49	-64.43
CC[N@@H+](C)CC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392895	1	54	0.0	-68.10	413.08	3.50	-64.60
CC(C[NH+](C)C)C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392920	0	57	0.0	-61.21	427.75	4.06	-57.15
C[C@H](C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024392924	0	54	0.0	-65.49	411.09	3.49	-62.00
CC[N@@H+]1CCC1C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392927	1	55	0.0	-67.21	416.76	3.12	-64.09
CC[N@H+]1CCC1C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392927	1	55	0.0	-67.19	426.84	3.98	-63.21
[N-]=[N+]=NCC(=O)N1CCCCCC1CNC(=O)CSC1=NC(=O)NN1	REAL300024392974	0	45	0.0	-24.24	372.18	-1.59	-25.83
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392983	0	55	0.0	-63.99	413.39	3.45	-60.54
C[N@H+]1CCC[C@H]1C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024392983	1	55	0.0	-68.90	413.23	3.52	-65.38
C[N@H+](CC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024393013	0	55	0.0	-64.71	424.61	4.23	-60.48
C[N@@H+](CC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024393013	1	55	0.0	-65.29	425.75	4.68	-60.61
C[NH+]1CC(CC(=O)N2CCCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393037	0	55	0.0	-69.03	426.79	3.70	-65.33
C[NH+](C)CC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024393040	0	51	0.0	-68.42	395.22	2.81	-65.61
C[C@@H](C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024393043	0	54	0.0	-65.00	402.97	3.17	-61.83
CC1CC[N@@H+]1CC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024393048	1	55	0.0	-65.09	422.61	3.94	-61.15
CC1CC[N@H+]1CC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024393048	1	55	0.0	-66.80	426.56	3.89	-62.91
C[NH+](C)CC=CC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024393049	0	55	0.0	-73.03	429.59	4.19	-68.84
CC[NH+](CC)CC(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024393055	0	57	0.0	-67.11	430.72	4.17	-62.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCCN1C(=O)C[NH+]1CCC1	REAL300024393056	1	52	0.0	-67.57	407.20	3.59	-63.98
CC(C(=O)N1CCCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024393073	1	55	0.0	-66.32	418.92	4.06	-62.26
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024393132	0	55	0.0	-57.28	422.06	4.31	-52.97
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024393132	1	55	0.0	-56.47	415.21	3.44	-53.03
CC(NC(=O)C1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393314	0	49	0.0	-72.92	399.56	1.47	-71.45
CC(NC(=O)C1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393314	1	49	0.0	-70.19	404.67	1.77	-68.42
CC(NC(=O)C1C[N@H+](C)CCO1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393338	1	50	0.0	-78.11	409.94	1.12	-76.99
CC(NC(=O)C1C[N@@H+](C)CCO1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393338	1	50	0.0	-78.23	409.00	1.02	-77.21
CC(C)[N@@H+]1CCCC1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393482	0	55	0.0	-68.72	438.80	2.95	-65.77
CC(C)[N@H+]1CCCC1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393482	1	55	0.0	-68.72	437.45	2.82	-65.90
CC1=[NH+]C=CN1CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393505	1	47	0.0	-70.05	409.15	2.44	-67.61
CC(NC(=O)C1C[NH+]2CCC1CC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393525	0	53	0.0	-77.10	419.98	2.51	-74.59
CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393553	0	52	0.0	-76.71	416.56	1.82	-74.89
CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393553	1	52	0.0	-74.55	422.61	2.06	-72.49
CC[C@@H]1[C@@H](C(=O)NC(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024393555	0	55	0.0	-73.59	435.43	2.37	-71.22
CC[C@@H]1[C@@H](C(=O)NC(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024393555	1	55	0.0	-72.78	440.84	2.64	-70.14
CC[N@@H+]1CCOC(C(=O)NC(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024393560	1	53	0.0	-82.21	434.92	1.94	-80.27
CC[N@H+]1CCOC(C(=O)NC(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024393560	1	53	0.0	-77.15	426.56	1.63	-75.52
CC(NC(=O)C[NH+]1C(C)CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393605	0	55	0.0	-70.05	436.82	2.83	-67.22
CC(NC(=O)CCC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393607	0	55	0.0	-73.80	449.54	3.36	-70.44
CC(NC(=O)CC[NH+]1CCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393610	0	55	0.0	-74.24	443.26	3.23	-71.01
CC[N@@H+]1CCCCC1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393613	0	55	0.0	-69.47	430.42	2.81	-66.66
CC[N@H+]1CCCCC1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393613	1	55	0.0	-69.97	430.30	2.92	-67.05
CC(NC(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393623	0	52	0.0	-69.08	412.82	2.12	-66.96
CC(C)[C@@H](C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024393629	0	54	0.0	-70.86	426.78	2.85	-68.01
CC(NC(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393647	0	52	0.0	-71.89	425.83	2.81	-69.08
CC(NC(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393647	1	52	0.0	-71.35	424.86	2.61	-68.74
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393701	1	51	0.0	-71.61	425.09	2.48	-69.13
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393701	1	51	0.0	-71.02	431.28	2.99	-68.03
CC(NC(=O)CCC1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393706	0	55	0.0	-72.83	434.47	2.48	-70.35
CC(NC(=O)CCC1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393706	1	55	0.0	-76.10	443.29	3.16	-72.94
CC(NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393722	0	52	0.0	-76.49	424.32	2.49	-74.00
CC(NC(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393749	0	52	0.0	-70.71	411.25	2.04	-68.67
CC(NC(=O)C1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393749	1	52	0.0	-70.71	411.26	2.06	-68.65
CC(NC(=O)CC[NH+]1CCOCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393802	1	53	0.0	-77.61	434.98	0.82	-76.79
CC1=C[NH+]=CN1CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393814	1	47	0.0	-73.08	408.43	3.13	-69.95
CC(NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393830	0	53	0.0	-74.12	423.29	2.61	-71.51
CC(NC(=O)CC1CC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393835	0	52	0.0	-75.28	426.17	2.42	-72.86
CC(NC(=O)CC1CC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393835	1	52	0.0	-74.91	425.18	2.32	-72.59
CCC(C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024393841	0	51	0.0	-70.48	409.05	1.61	-68.87
CC(NC(=O)CCCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393888	0	54	0.0	-74.89	443.99	2.74	-72.15
CC(C)C(C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024393899	0	54	0.0	-70.26	422.85	2.16	-68.10
CCC[N@H+](C)CCC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393900	0	54	0.0	-75.01	440.24	2.56	-72.45
CCC[N@@H+](C)CCC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393900	1	54	0.0	-75.41	441.31	2.77	-72.64
CCC[N@H+](C)CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393903	0	51	0.0	-73.77	417.98	2.13	-71.64
CCC[N@@H+](C)CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393903	1	51	0.0	-73.74	418.95	2.24	-71.50
CC(NC(=O)C12CC[N@H+](C1)CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393916	0	53	0.0	-73.68	421.58	2.07	-71.61
CC(NC(=O)C12CC[N@@H+](C1)CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393916	1	53	0.0	-79.73	419.46	1.96	-77.77
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393938	0	49	0.0	-70.64	404.77	1.79	-68.85
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393938	1	49	0.0	-72.27	398.77	1.27	-71.00
CC[NH+](CC)CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393965	0	51	0.0	-71.81	414.73	1.98	-69.83
CC(NC(=O)C[NH+]1CCC(C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394018	0	55	0.0	-74.04	442.88	3.34	-70.70
CC(NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394036	0	52	0.0	-74.09	429.39	2.41	-71.68
CC(NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394082	0	52	0.0	-76.49	424.32	2.49	-74.00
CC(C)[C@H](C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024394097	0	54	0.0	-71.13	428.24	3.06	-68.07
CCC(C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024394124	0	57	0.0	-67.30	444.90	2.98	-64.32
CC[N@H+](C)CCC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394154	0	51	0.0	-74.74	412.62	1.68	-73.06
CC[N@@H+](C)CCC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394154	1	51	0.0	-74.34	418.74	1.82	-72.52
CC(NC(=O)C[N@@H+]1CCCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394177	0	52	0.0	-70.01	418.70	2.13	-67.88
CC(NC(=O)C[N@H+]1CCCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394177	1	52	0.0	-70.32	418.33	2.20	-68.12
CC(NC(=O)C[N@@H+]1CCC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394178	0	52	0.0	-72.50	425.34	2.43	-70.07
CC(NC(=O)C[N@H+]1CCC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394178	1	52	0.0	-72.99	425.24	2.58	-70.41
CC(NC(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394180	0	55	0.0	-73.10	443.74	2.95	-70.15
CC(NC(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394180	1	55	0.0	-72.64	444.97	3.02	-69.62
CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394181	0	57	0.0	-73.30	448.53	3.26	-70.04
CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394181	1	57	0.0	-73.54	447.79	3.25	-70.29
CC[C@@H](C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024394188	0	51	0.0	-70.94	410.29	1.83	-69.11
CC(NC(=O)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394260	0	45	0.0	-73.77	378.63	0.61	-73.16
CC(NC(=O)C[NH+]1CCCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394263	0	55	0.0	-73.32	423.60	2.53	-70.79
CC(NC(=O)C[N+]1=CN(C)C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394266	0	47	0.0	-71.09	410.95	4.34	-66.75
CC(NC(=O)C1CCC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394270	0	52	0.0	-73.55	424.63	2.35	-71.20
CC(NC(=O)C1CCC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394270	1	52	0.0	-67.35	418.18	2.68	-64.67
CC(NC(=O)C1CCC[N@@H+]1C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394275	0	53	0.0	-68.47	437.28	3.37	-65.10
CC(NC(=O)C1CCC[N@H+]1C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394275	1	53	0.0	-68.35	432.28	3.24	-65.11
CC(NC(=O)C(C)[NH+]1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394287	1	49	0.0	-71.40	409.10	1.72	-69.68
CCC(CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024394291	0	57	0.0	-69.46	453.87	3.24	-66.22
CC(NC(=O)C(C)(C)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394296	0	54	0.0	-73.00	425.83	2.29	-70.71
CC(NC(=O)C[NH+]1CCC(O)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394307	1	53	0.0	-77.98	432.53	-0.65	-78.63
CC(NC(=O)C[N@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394308	0	49	0.0	-71.33	409.12	2.24	-69.09
CC(NC(=O)C[N@@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394308	1	49	0.0	-71.20	409.12	2.24	-68.96
CC(NC(=O)CC1C[NH+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394322	0	49	0.0	-74.04	411.48	1.56	-72.48
CC(NC(=O)C1CC[N@@H+]1C(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394332	0	55	0.0	-69.67	440.01	2.44	-67.23
CC(NC(=O)C1CC[N@H+]1C(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394332	1	55	0.0	-71.13	422.68	2.29	-68.84
CC(NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394342	0	48	0.0	-71.79	396.86	1.12	-70.67
CC(NC(=O)CN=[N+]=[N-])C1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024394349	0	39	0.0	-25.15	355.60	-3.79	-28.94
CC(NC(=O)CN1C=CSC1=[NH2+])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394391	0	45	0.0	-69.61	406.79	1.01	-68.60
CC(NC(=O)CC[N@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394396	0	52	0.0	-74.40	429.08	-1.40	-75.80
CC(NC(=O)CC[N@@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394396	1	52	0.0	-74.28	430.15	-1.19	-75.47
CC(NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394397	0	48	0.0	-71.79	396.86	1.12	-70.67
CC(NC(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394400	0	52	0.0	-69.85	421.89	2.44	-67.41
CC(NC(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394400	1	52	0.0	-70.87	412.61	2.27	-68.60
CC(NC(=O)C[NH+]1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394445	1	46	0.0	-73.32	390.10	1.16	-72.16
CC(NC(=O)C=C1CC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394459	0	50	0.0	-76.04	416.37	2.30	-73.74
CC(NC(=O)C=C1CC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394459	1	50	0.0	-76.19	417.93	2.33	-73.86
CC(NC(=O)COCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394479	0	52	0.0	-73.43	434.50	1.66	-71.77
C=CCC(C)(C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024394490	0	55	0.0	-67.12	434.02	2.64	-64.48
CC(NC(=O)C1(C)CC(O)C[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394507	0	53	0.0	-76.52	427.26	-0.91	-77.43
CC(NC(=O)CN1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394524	0	49	0.0	-73.63	410.02	1.81	-71.82
CC(NC(=O)C[NH+]1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394524	1	49	0.0	-73.63	410.02	1.81	-71.82
CC(NC(=O)CN(C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394541	0	49	0.0	-73.99	406.84	-1.85	-75.84
CC(NC(=O)C[N@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394541	1	49	0.0	-73.72	407.60	-1.73	-75.45
CC(NC(=O)C[N@@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394541	1	49	0.0	-73.72	407.60	-1.73	-75.45
CC[N@@H+]1CCCC(C(=O)NC(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024394560	0	55	0.0	-67.45	435.81	3.33	-64.12
CC[N@H+]1CCCC(C(=O)NC(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024394560	1	55	0.0	-67.45	435.81	3.33	-64.12
CC(CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024394562	0	54	0.0	-74.21	435.82	2.61	-71.60
CC[N@H+](C)CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394565	0	48	0.0	-73.28	396.49	1.39	-71.89
CC[N@H+](CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024394589	0	52	0.0	-70.62	424.68	2.64	-67.98
CC[NH+](CC)CCC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394597	0	54	0.0	-73.80	432.23	2.26	-71.54
CC(NC(=O)CN1CC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394611	0	52	0.0	-73.76	429.16	2.29	-71.47
CC(NC(=O)C[NH+]1CC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394611	1	52	0.0	-73.76	429.16	2.29	-71.47
CC(NC(=O)C[N@@H+]1CCC(C)(O)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394627	0	53	0.0	-72.77	435.86	-0.85	-73.62
CC(NC(=O)C=CC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394630	0	49	0.0	-76.35	415.86	1.87	-74.48
COCCN(C)CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394643	0	52	0.0	-73.91	428.87	0.54	-73.37
COCC[N@H+](C)CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394643	1	52	0.0	-74.53	430.06	0.66	-73.87
COCC[N@@H+](C)CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394643	1	52	0.0	-74.53	430.06	0.66	-73.87
CC(NC(=O)C1([NH+](C)C)CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394660	0	55	0.0	-76.79	429.67	2.82	-73.97
CC(CCC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024394662	0	54	0.0	-72.80	435.98	2.35	-70.45
CCN1CCC1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394668	0	49	0.0	-72.42	410.29	1.57	-70.85
CC[N@@H+]1CCC1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394668	1	49	0.0	-71.28	403.05	1.36	-69.92
CC[N@H+]1CCC1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394668	1	49	0.0	-71.28	403.05	1.36	-69.92
CC(NC(=O)C[N@@H+]1CCCC1CO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394678	0	53	0.0	-73.08	428.12	-1.22	-74.30
CC(NC(=O)C1(C)CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394694	0	55	0.0	-73.15	436.97	2.90	-70.25
C=CCC(C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024394710	0	52	0.0	-72.31	425.25	2.28	-70.03
CC(NC(=O)C1CC(C)(C)C[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394717	0	55	0.0	-71.48	439.59	2.54	-68.94
CC(NC(=O)CCCCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394719	0	57	0.0	-74.34	465.49	3.53	-70.81
CCCC(C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024394736	0	54	0.0	-72.76	432.74	2.52	-70.24
CC(NC(=O)C(C)(C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394739	0	51	0.0	-75.64	405.83	1.79	-73.85
CC(NC(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394762	0	52	0.0	-70.71	411.26	2.06	-68.65
CC(NC(=O)CC1=CC[N@H+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394781	0	53	0.0	-71.10	438.83	3.15	-67.95
CC(NC(=O)CC1=CC[N@@H+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394781	1	53	0.0	-71.10	438.83	3.15	-67.95
CC(NC(=O)C=CC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394811	0	53	0.0	-76.27	440.27	3.11	-73.16
CC(NC(=O)CC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394838	0	52	0.0	-73.80	426.96	2.34	-71.46
CC(NC(=O)C12CC(C1)C[N@@H+]2C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394863	0	50	0.0	-75.75	411.97	1.98	-73.77
CC(NC(=O)C[N@@H+]1CC2CCC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394868	0	53	0.0	-71.49	425.77	2.82	-68.67
CC(NC(=O)C[N@H+]1CC2CCC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394868	1	53	0.0	-71.49	425.77	2.82	-68.67
CC(NC(=O)CN1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394903	0	51	0.0	-70.43	417.88	2.59	-67.84
CC(NC(=O)C[N@@H+]1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394903	1	51	0.0	-71.59	419.10	2.70	-68.89
CC(NC(=O)C[N@H+]1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394903	1	51	0.0	-71.59	419.10	2.70	-68.89
CC(C[NH+](C)C)C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394933	0	51	0.0	-73.80	417.04	1.88	-71.92
CC(NC(=O)CC1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394972	0	55	0.0	-75.25	438.88	3.01	-72.24
CC(NC(=O)CC1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394972	1	55	0.0	-75.25	438.88	3.01	-72.24
CC(NC(=O)C(C)N1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394981	0	52	0.0	-70.83	427.97	2.41	-68.42
CC(NC(=O)C(C)[NH+]1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394981	1	52	0.0	-70.83	427.97	2.41	-68.42
CC(NC(=O)CN1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394983	0	49	0.0	-72.04	410.01	1.83	-70.21
CC(NC(=O)C[N@@H+]1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394983	1	49	0.0	-71.11	405.82	1.55	-69.56
CC(NC(=O)C[N@H+]1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394983	1	49	0.0	-71.11	405.82	1.55	-69.56
CC(NC(=O)CC(O)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394985	0	52	0.0	-77.40	431.33	-0.41	-77.81
CC(NC(=O)C1CN(C)CC(C)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395002	0	53	0.0	-78.60	431.16	1.86	-76.74
CC(NC(=O)C1C[N@H+](C)CC(C)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395002	1	53	0.0	-83.26	431.71	2.01	-81.25
CC(NC(=O)C1C[N@@H+](C)CC(C)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395002	1	53	0.0	-83.26	431.71	2.01	-81.25
CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395040	0	52	0.0	-72.53	428.15	2.33	-70.20
CC(CC[NH+](C)C)C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395044	0	54	0.0	-73.73	438.67	2.50	-71.23
CC(NC(=O)CN1CCN(C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395059	0	54	0.0	-72.89	438.16	0.24	-72.65
CC(NC(=O)CN1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395059	1	54	0.0	-72.89	438.16	0.24	-72.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300024395229	0	49	0.0	-70.85	403.26	1.75	-69.10
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+]2C)C1	REAL300024395229	1	49	0.0	-71.70	398.71	1.38	-70.32
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300024395255	1	50	0.0	-80.46	405.47	0.94	-79.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300024395255	1	50	0.0	-79.61	413.75	0.95	-78.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024395403	1	53	0.0	-78.43	427.80	0.47	-77.96
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024395411	0	53	0.0	-69.53	420.53	2.34	-67.19
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300024395434	0	52	0.0	-77.46	426.17	2.42	-75.04
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300024395434	1	52	0.0	-73.03	425.29	2.24	-70.79
CCC(C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024395440	0	51	0.0	-70.92	402.89	1.40	-69.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCCC[NH+](C)C)C1	REAL300024395472	0	54	0.0	-76.78	437.89	2.60	-74.18
CC(C)C(C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024395485	0	54	0.0	-72.01	423.29	2.69	-69.32
CCC[N@H+](C)CCC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395486	0	54	0.0	-76.34	434.12	2.43	-73.91
CCC[N@@H+](C)CCC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395486	1	54	0.0	-76.94	441.31	2.77	-74.17
CCC[N@H+](C)CC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395489	0	51	0.0	-70.30	417.85	2.00	-68.30
CCC[N@@H+](C)CC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395489	1	51	0.0	-70.28	417.86	2.00	-68.28
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024395502	0	53	0.0	-72.69	414.82	1.59	-71.10
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024395502	1	53	0.0	-76.94	415.95	1.73	-75.21
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300024395527	0	55	0.0	-74.09	442.30	3.28	-70.81
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300024395564	0	52	0.0	-78.42	418.88	2.26	-76.16
CC[N@H+](C)CCC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395581	0	51	0.0	-72.24	418.73	1.82	-70.42
CC[N@@H+](C)CCC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395581	1	51	0.0	-75.62	412.63	1.68	-73.94
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024395593	0	53	0.0	-74.24	418.68	2.39	-71.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300024395631	0	52	0.0	-79.64	421.71	2.24	-77.40
CC(C)[C@H](C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024395646	0	54	0.0	-72.53	424.69	2.47	-70.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300024395709	0	52	0.0	-70.11	408.87	1.92	-68.19
CCC(C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024395736	0	57	0.0	-67.49	436.62	2.71	-64.78
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300024395745	0	52	0.0	-70.06	418.71	2.09	-67.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300024395745	1	52	0.0	-66.89	417.27	1.97	-64.92
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395772	0	55	0.0	-69.52	438.15	2.80	-66.72
CC(C)[N@H+]1CCCC1C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395772	1	55	0.0	-68.07	429.78	3.12	-64.95
CC(C)[C@@H](C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024395779	0	54	0.0	-71.75	424.54	2.34	-69.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300024395789	0	52	0.0	-69.11	423.97	2.29	-66.82
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300024395789	1	52	0.0	-72.36	426.16	2.39	-69.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300024395791	0	55	0.0	-73.08	445.28	3.05	-70.03
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300024395791	1	55	0.0	-69.11	443.48	2.83	-66.28
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300024395792	0	57	0.0	-73.48	450.14	3.40	-70.08
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300024395792	1	57	0.0	-69.92	446.59	3.08	-66.84
CC[C@@H](C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024395799	0	51	0.0	-68.10	409.45	1.67	-66.43
CC1=[NH+]C=CN1CC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395879	1	47	0.0	-67.62	408.04	2.21	-65.41
CC[N@@H+]1CCOC(C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024395922	1	53	0.0	-83.98	432.60	1.78	-82.20
CC[N@H+]1CCOC(C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024395922	1	53	0.0	-85.75	430.76	1.72	-84.03
CC1=C[NH+]=CN1CC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395942	1	47	0.0	-70.76	408.40	2.94	-67.82
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300024395947	0	52	0.0	-77.32	417.26	2.08	-75.24
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300024395947	1	52	0.0	-72.25	420.39	2.20	-70.05
CC[C@@H]1[C@@H](C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024395949	0	55	0.0	-71.85	435.90	2.29	-69.56
CC[C@@H]1[C@@H](C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024395949	1	55	0.0	-71.19	439.33	2.66	-68.53
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300024395954	0	55	0.0	-69.68	437.11	2.67	-67.01
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024395956	0	55	0.0	-74.95	440.76	2.89	-72.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024395960	0	55	0.0	-74.98	436.52	2.89	-72.09
CC[N@@H+]1CCCCC1C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395963	0	55	0.0	-69.92	420.57	2.28	-67.64
CC[N@H+]1CCCCC1C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395963	1	55	0.0	-70.15	438.98	3.02	-67.13
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300024396043	0	52	0.0	-68.21	424.78	2.58	-65.63
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300024396043	1	52	0.0	-71.44	425.81	2.78	-68.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300024396067	0	52	0.0	-79.64	421.71	2.24	-77.40
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300024396089	0	49	0.0	-70.23	403.10	1.60	-68.63
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300024396089	1	49	0.0	-72.06	399.24	1.22	-70.84
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024396106	1	51	0.0	-71.62	425.72	2.42	-69.20
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024396106	1	51	0.0	-67.99	430.55	2.93	-65.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300024396111	0	55	0.0	-73.85	434.46	2.50	-71.35
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300024396111	1	55	0.0	-73.73	445.88	3.19	-70.54
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300024396174	0	52	0.0	-67.72	407.11	1.74	-65.98
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300024396174	1	52	0.0	-67.86	419.99	2.16	-65.70
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300024396223	0	52	0.0	-74.81	417.66	1.89	-72.92
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300024396223	1	52	0.0	-71.45	415.62	1.95	-69.50
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300024396273	0	55	0.0	-67.13	440.00	2.42	-64.71
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300024396273	1	55	0.0	-68.12	417.95	1.84	-66.28
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300024396286	0	48	0.0	-71.67	397.84	1.19	-70.48
C=CCC(C)(C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024396298	0	55	0.0	-76.57	420.30	2.49	-74.08
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCCC2)C1	REAL300024396310	0	52	0.0	-75.67	428.04	2.53	-73.14
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)CCO)C1	REAL300024396318	1	49	0.0	-74.75	407.80	-1.77	-76.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)CCO)C1	REAL300024396318	1	49	0.0	-70.47	406.49	-1.97	-72.44
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300024396364	0	53	0.0	-73.79	439.12	3.05	-70.74
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300024396364	1	53	0.0	-72.04	439.12	3.05	-68.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300024396382	0	53	0.0	-67.66	423.79	-1.75	-69.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300024396382	1	53	0.0	-72.38	418.62	-1.47	-73.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC(C)C2)C1	REAL300024396408	1	49	0.0	-73.93	411.00	1.88	-72.05
CC[N@@H+]1CCCC(C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024396414	0	55	0.0	-74.42	442.94	2.99	-71.43
CC[N@H+]1CCCC(C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024396414	1	55	0.0	-67.31	433.10	3.04	-64.27
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024396425	0	53	0.0	-70.43	429.25	2.61	-67.82
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024396425	1	53	0.0	-68.39	428.02	2.41	-65.98
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024396446	0	53	0.0	-77.39	432.96	2.72	-74.67
CC[N@H+](C)CC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024396483	0	48	0.0	-69.94	396.36	1.26	-68.68
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CC3C=CC2C3)C1	REAL300024396512	0	51	0.0	-68.04	418.31	2.58	-65.46
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024396512	1	51	0.0	-69.73	418.98	2.59	-67.14
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024396512	1	51	0.0	-69.73	418.98	2.59	-67.14
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300024396556	0	52	0.0	-80.82	414.37	-0.89	-81.71
COCCN(C)CC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024396587	0	52	0.0	-70.18	428.74	0.44	-69.74
COCC[N@H+](C)CC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024396587	1	52	0.0	-71.08	428.97	0.43	-70.65
COCC[N@@H+](C)CC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024396587	1	52	0.0	-71.08	428.97	0.43	-70.65
CC(CCC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024396590	0	54	0.0	-79.89	433.35	2.53	-77.36
CC[N@H+](CC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024396603	0	52	0.0	-71.79	413.88	2.36	-69.43
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300024396628	0	50	0.0	-77.48	405.11	2.05	-75.43
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024396635	0	53	0.0	-67.52	422.96	2.51	-65.01
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024396635	1	53	0.0	-67.52	422.96	2.51	-65.01
CC(C[NH+](C)C)C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024396648	0	51	0.0	-69.25	408.46	1.60	-67.65
CC[N@@H+]1CCC1C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024396676	0	49	0.0	-73.61	411.66	1.70	-71.91
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024396682	0	57	0.0	-72.17	437.13	1.17	-71.00
CCCC(C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024396712	0	54	0.0	-72.92	425.77	2.34	-70.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300024396716	0	51	0.0	-77.82	402.11	1.28	-76.54
CC(CC[NH+](C)C)C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024396729	0	54	0.0	-75.72	430.22	2.11	-73.61
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300024396777	0	55	0.0	-70.21	445.80	2.83	-67.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300024396777	1	55	0.0	-70.21	445.80	2.83	-67.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCCCC[NH+](C)C)C1	REAL300024396779	0	57	0.0	-77.25	466.58	3.73	-73.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CCN(C)CC2)C1	REAL300024396786	0	54	0.0	-75.49	438.73	0.28	-75.21
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300024396786	1	54	0.0	-75.49	438.73	0.28	-75.21
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CN(C)CC(C)O2)C1	REAL300024396827	0	53	0.0	-85.21	429.09	1.85	-83.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300024396827	1	53	0.0	-80.83	425.68	1.71	-79.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300024396827	1	53	0.0	-80.83	425.68	1.71	-79.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024396854	0	50	0.0	-73.84	415.44	2.67	-71.17
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300024396871	0	52	0.0	-67.86	419.99	2.16	-65.70
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300024396929	0	50	0.0	-75.22	417.12	2.21	-73.01
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300024396929	1	50	0.0	-75.22	417.12	2.21	-73.01
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024396931	0	48	0.0	-73.95	408.24	-0.27	-74.22
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300024396981	0	55	0.0	-73.11	420.74	2.27	-70.84
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300024396997	0	49	0.0	-67.46	400.49	1.49	-65.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300024396997	1	49	0.0	-67.46	400.49	1.49	-65.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300024397075	0	52	0.0	-73.11	428.31	2.41	-70.70
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300024397083	0	55	0.0	-81.78	451.80	3.13	-78.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300024397084	0	53	0.0	-68.28	426.22	2.72	-65.56
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300024397084	1	53	0.0	-68.28	426.22	2.72	-65.56
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)COCC[NH+](C)C)C1	REAL300024397112	0	52	0.0	-74.66	435.59	1.90	-72.76
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300024397136	0	45	0.0	-70.73	406.78	0.98	-69.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300024397192	0	52	0.0	-68.08	413.89	2.27	-65.81
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300024397192	1	52	0.0	-68.08	413.89	2.27	-65.81
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024397193	0	55	0.0	-69.22	429.71	2.65	-66.57
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300024397196	0	47	0.0	-69.09	409.99	4.20	-64.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CCC(O)CC2)C1	REAL300024397215	0	53	0.0	-78.31	432.54	-0.68	-78.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024397215	1	53	0.0	-78.31	432.54	-0.68	-78.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)C2CC2)C1	REAL300024397216	0	49	0.0	-70.70	409.00	2.20	-68.50
CC(CC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024397234	0	54	0.0	-76.77	436.90	2.81	-73.96
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2COCCN2C)C1	REAL300024397251	0	53	0.0	-80.74	430.20	0.60	-80.14
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300024397251	1	53	0.0	-71.09	423.13	0.39	-70.70
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2COCC[N@H+]2C)C1	REAL300024397251	1	53	0.0	-71.09	423.13	0.39	-70.70
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300024397312	0	53	0.0	-72.25	436.02	-0.87	-73.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2C[NH+](C)C2)C1	REAL300024397333	0	49	0.0	-76.38	411.00	1.63	-74.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[N@H+](C)CCO)C1	REAL300024397356	0	52	0.0	-75.77	430.11	-1.19	-76.96
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[N@@H+](C)CCO)C1	REAL300024397356	1	52	0.0	-75.77	430.11	-1.19	-76.96
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300024397371	0	55	0.0	-64.12	430.38	2.65	-61.47
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300024397371	1	55	0.0	-64.12	430.38	2.65	-61.47
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300024397383	0	49	0.0	-68.19	404.23	1.48	-66.71
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=CC[NH+](C)C)C1	REAL300024397389	0	49	0.0	-75.89	415.72	1.84	-74.05
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CC(C)(C)C2)C1	REAL300024397394	0	52	0.0	-70.40	429.22	2.22	-68.18
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300024397394	1	52	0.0	-70.40	429.22	2.22	-68.18
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300024397428	0	53	0.0	-72.78	433.80	-0.73	-73.51
CC[NH+](CC)CC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397430	0	51	0.0	-71.85	403.98	1.52	-70.33
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CCC2)C1	REAL300024397439	0	46	0.0	-74.11	390.01	1.27	-72.84
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC2)C1	REAL300024397439	1	46	0.0	-74.11	390.01	1.27	-72.84
CC[NH+](CC)CCC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397467	0	54	0.0	-75.56	433.40	2.45	-73.11
CCC(CC(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024397522	0	57	0.0	-79.74	447.47	3.08	-76.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300024397527	0	54	0.0	-71.13	422.68	1.91	-69.22
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300024397556	0	52	0.0	-71.40	408.47	1.98	-69.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300024397575	0	52	0.0	-80.37	432.33	-0.14	-80.51
C=CCC(C(=O)N1CC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024397595	0	52	0.0	-72.52	419.14	2.12	-70.40
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300024397606	0	55	0.0	-69.84	429.51	2.21	-67.63
CC(NC(=O)CSC(N)=[NH2+])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397627	0	43	0.0	-74.78	386.55	-2.45	-77.23
CC(NC(=O)C1(CC[NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397650	0	55	0.0	-74.68	453.52	3.26	-71.42
CC(NC(=O)CC1CC=CC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397651	0	53	0.0	-67.63	424.70	2.69	-64.94
CC(NC(=O)CC1CC=CC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397651	1	53	0.0	-67.63	424.70	2.69	-64.94
CCC1C[NH+](CC(=O)NC(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024397732	1	52	0.0	-74.50	431.41	2.57	-71.93
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397737	1	49	0.0	-69.61	405.69	1.71	-67.90
CC(NC(=O)C[NH+]1CCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397754	0	52	0.0	-73.12	421.88	2.74	-70.38
CC(NC(=O)C1CC[N@H+](C)C1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397759	0	52	0.0	-73.61	420.76	2.09	-71.52
CC(NC(=O)C1CC[N@@H+](C)C1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397759	1	52	0.0	-73.68	426.35	2.24	-71.44
CC(NC(=O)CC1COCCN1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397787	0	53	0.0	-70.01	421.61	0.39	-69.62
CC(NC(=O)CC1COCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397787	1	53	0.0	-71.11	422.84	0.50	-70.61
CC(NC(=O)CC1COCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397787	1	53	0.0	-70.01	421.61	0.39	-69.62
CCOCC(N=[N+]=[N-])C(=O)NC(C)C1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024397794	0	49	0.0	-24.88	431.81	-3.10	-27.98
C[N@H+]1CCCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398000	1	50	0.0	-67.08	391.30	3.39	-63.69
CC1=[NH+]C=CN1CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398163	1	48	0.0	-65.51	399.03	4.14	-61.37
C[C@@H]1[C@H](C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024398182	0	53	0.0	-74.32	405.07	3.46	-70.86
C[C@@H]1[C@H](C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024398182	1	53	0.0	-73.12	411.11	3.75	-69.37
C[NH+](C)C1(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024398203	0	53	0.0	-65.79	395.62	3.51	-62.28
CC(C)[C@@H](C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024398205	0	55	0.0	-68.18	409.39	3.89	-64.29
C[N@H+](CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024398215	0	53	0.0	-67.12	415.70	4.52	-62.60
C[N@@H+](CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024398215	1	53	0.0	-67.37	415.90	4.54	-62.83
C[NH+]1CCC(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024398241	0	53	0.0	-80.19	413.37	4.09	-76.10
C[N@@H+]1CCCCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398247	0	53	0.0	-66.19	402.09	3.83	-62.36
C[N@H+]1CCCCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398247	1	53	0.0	-67.87	408.30	4.01	-63.86
CC1=C[NH+]=CN1CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398264	1	48	0.0	-69.73	399.37	4.87	-64.86
C[N@@H+]1CCC(CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024398274	0	53	0.0	-71.24	416.12	4.17	-67.07
C[N@H+]1CCC(CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024398274	1	53	0.0	-71.52	415.99	4.15	-67.37
CCC(C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024398277	0	52	0.0	-65.29	397.16	3.38	-61.91
C[NH+](C)CCCCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398291	0	55	0.0	-71.74	435.17	4.67	-67.07
CC(C)C(C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024398295	0	55	0.0	-65.46	412.47	3.99	-61.47
CCC[N@H+](C)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398296	0	55	0.0	-71.71	431.27	4.50	-67.21
CCC[N@@H+](C)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398296	1	55	0.0	-71.50	431.27	4.51	-66.99
CCC[N@H+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398297	0	52	0.0	-69.54	408.83	3.96	-65.58
CCC[N@@H+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398297	1	52	0.0	-69.55	408.91	3.98	-65.57
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398312	0	50	0.0	-66.14	388.12	3.02	-63.12
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398312	1	50	0.0	-67.06	391.39	3.40	-63.66
CC[NH+](CC)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398324	0	52	0.0	-68.07	401.40	3.58	-64.49
C[NH+](C)CC1(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024398378	0	53	0.0	-73.47	416.45	4.07	-69.40
C[NH+]1CCC(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024398402	0	53	0.0	-80.19	413.37	4.09	-76.10
CC(C)[C@H](C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024398417	0	55	0.0	-65.72	412.63	4.01	-61.71
CC[N@H+](C)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398445	0	52	0.0	-71.02	409.77	3.77	-67.25
CC[N@@H+](C)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398445	1	52	0.0	-70.79	409.77	3.77	-67.02
CC1CCC[N@@H+]1CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398456	0	53	0.0	-66.30	408.51	3.88	-62.42
CC1CCC[N@H+]1CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398456	1	53	0.0	-66.49	415.06	4.35	-62.14
CC1CC[N@H+](CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024398457	0	53	0.0	-68.15	416.28	4.20	-63.95
CC1CC[N@@H+](CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024398457	1	53	0.0	-68.51	415.14	4.25	-64.26
CC[C@@H](C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024398459	0	52	0.0	-68.40	396.80	3.56	-64.84
C[NH+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398496	0	46	0.0	-70.04	370.04	2.55	-67.49
CN1C=C[N+](CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024398497	0	48	0.0	-67.85	400.92	6.06	-61.79
C[N@@H+]1CCCC(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024398500	0	53	0.0	-63.92	404.34	4.05	-59.87
C[N@H+]1CCCC(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024398500	1	53	0.0	-68.40	401.95	4.03	-64.37
CC(C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024398508	1	50	0.0	-69.10	396.85	3.39	-65.71
C[NH+](C)CC(C)(C)C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398511	0	55	0.0	-71.13	405.68	3.58	-67.55
C[N@H+](CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024398518	0	50	0.0	-66.48	398.94	3.93	-62.55
C[N@@H+](CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024398518	1	50	0.0	-67.39	399.08	3.93	-63.46
C[NH+]1CC(CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024398529	0	50	0.0	-69.58	401.48	3.39	-66.19
C[C@@H](C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024398541	0	49	0.0	-67.17	385.93	2.84	-64.33
[N-]=[N+]=NCC(=O)N1CC2CCC1CN2C(=O)CSC1=NC(=O)NN1	REAL300024398548	0	40	0.0	-22.23	347.00	-1.85	-24.08
C[N@H+](CCO)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398580	0	53	0.0	-70.13	420.12	0.55	-69.58
C[N@@H+](CCO)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398580	1	53	0.0	-70.90	420.10	0.52	-70.38
C[C@@H](C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024398581	0	49	0.0	-67.17	385.93	2.84	-64.33
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398584	0	53	0.0	-66.01	401.86	3.80	-62.21
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398584	1	53	0.0	-64.01	408.47	3.99	-60.02
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C[NH+]1CCC1	REAL300024398611	1	47	0.0	-69.67	380.18	3.00	-66.67
C[N@@H+]1CCC(=CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024398621	0	51	0.0	-73.12	407.71	4.06	-69.06
C[N@H+]1CCC(=CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024398621	1	51	0.0	-73.10	407.71	4.06	-69.04
C[NH+](C)CCOCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398631	0	53	0.0	-70.48	425.90	3.65	-66.83
C[C@H](C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024398642	0	49	0.0	-69.38	385.00	2.81	-66.57
CC1C[NH+](CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024398659	1	50	0.0	-69.53	400.66	3.63	-65.90
C[N@H+](CCO)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398672	1	50	0.0	-69.51	397.77	-0.01	-69.52
C[N@@H+](CCO)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398672	1	50	0.0	-70.06	397.52	-0.00	-70.06
CC(CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024398684	0	55	0.0	-72.00	427.15	4.57	-67.43
CC[N@H+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398686	0	49	0.0	-69.26	387.33	3.22	-66.04
CC[N@@H+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398686	1	49	0.0	-69.35	387.33	3.21	-66.14
CC[N@H+](CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024398696	0	53	0.0	-65.72	418.47	4.55	-61.17
CC[N@@H+](CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024398696	1	53	0.0	-66.96	416.16	4.56	-62.40
CC[NH+](CC)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398702	0	55	0.0	-70.10	427.75	4.46	-65.64
CC1(C)C[NH+](CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024398710	1	53	0.0	-69.43	420.65	4.16	-65.27
C[NH+](C)CC=CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398717	0	50	0.0	-74.32	406.16	3.75	-70.57
COCC[N@H+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398726	1	53	0.0	-70.14	419.80	2.38	-67.76
COCC[N@@H+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398726	1	53	0.0	-70.95	419.94	2.38	-68.57
CC(CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024398735	0	55	0.0	-71.00	423.16	4.28	-66.72
CC[N@@H+]1CCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398739	1	50	0.0	-68.33	390.05	3.14	-65.19
CC[N@H+]1CCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398739	1	50	0.0	-66.26	392.91	3.12	-63.14
C=CCC(C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024398764	0	53	0.0	-65.47	410.44	3.93	-61.54
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C[NH+]1CC2CC2C1	REAL300024398772	0	51	0.0	-69.53	405.01	4.43	-65.10
CCCC(C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024398778	0	55	0.0	-69.08	417.89	4.15	-64.93
C[NH+](C)C(C)(C)C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398780	0	52	0.0	-67.30	388.12	3.19	-64.11
C[N@@H+]1CCCCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398790	0	53	0.0	-66.19	402.09	3.83	-62.36
C[N@H+]1CCCCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398790	1	53	0.0	-67.87	408.30	4.01	-63.86
C[NH+](C)C1(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024398827	0	50	0.0	-71.54	389.24	2.98	-68.56
O=C(CC[NH+]1CCCC1)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398828	0	53	0.0	-70.46	418.01	4.28	-66.18
C[N@@H+]1CC2CC1(C(=O)N1CC3CCC1CN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024398838	0	51	0.0	-66.40	395.99	3.83	-62.57
C[N@H+]1CC2CC1(C(=O)N1CC3CCC1CN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024398838	1	51	0.0	-68.44	391.37	3.65	-64.79
CC(C[NH+](C)C)C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398874	0	52	0.0	-70.06	407.43	3.60	-66.46
CC(C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024398897	0	53	0.0	-70.96	417.03	4.05	-66.91
CC1CC[N@@H+]1CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398898	1	50	0.0	-67.19	395.61	3.32	-63.87
CC1CC[N@H+]1CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398898	1	50	0.0	-67.73	401.14	3.60	-64.13
C[NH+](C)CC(O)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398900	0	53	0.0	-74.12	422.52	1.61	-72.51
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024398930	0	53	0.0	-72.30	418.44	4.24	-68.06
CC(CC[NH+](C)C)C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024398931	0	55	0.0	-75.41	425.95	4.12	-71.29
C[N@@H+]1CCCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399101	0	50	0.0	-66.35	390.54	3.30	-63.05
C[N@H+]1CCCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399101	1	50	0.0	-67.08	391.30	3.39	-63.69
C[N@@H+]1CCC(CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024399277	0	53	0.0	-71.24	416.12	4.17	-67.07
C[N@H+]1CCC(CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024399277	1	53	0.0	-71.52	415.99	4.15	-67.37
CCC(C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024399280	0	52	0.0	-65.29	397.16	3.38	-61.91
C[NH+](C)CCCCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399290	0	55	0.0	-71.74	435.17	4.67	-67.07
CC(C)C(C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024399295	0	55	0.0	-65.46	412.47	3.99	-61.47
CCC[N@H+](C)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399296	0	55	0.0	-71.71	431.27	4.50	-67.21
CCC[N@@H+](C)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399296	1	55	0.0	-71.50	431.27	4.51	-66.99
CCC[N@H+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399297	0	52	0.0	-69.54	408.83	3.96	-65.58
CCC[N@@H+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399297	1	52	0.0	-69.55	408.91	3.98	-65.57
C[NH+](C)CC1(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024399336	0	53	0.0	-73.47	416.45	4.07	-69.40
CC[N@H+](C)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399342	0	52	0.0	-71.02	409.77	3.77	-67.25
CC[N@@H+](C)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399342	1	52	0.0	-70.79	409.77	3.77	-67.02
C[NH+]1CCC(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024399366	0	53	0.0	-80.19	413.37	4.09	-76.10
CC(C)[C@H](C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024399381	0	55	0.0	-65.72	412.63	4.01	-61.71
C[NH+](C)C1(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024399405	0	53	0.0	-65.79	395.62	3.51	-62.28
CC1CCC[N@@H+]1CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399430	0	53	0.0	-66.30	408.51	3.88	-62.42
CC1CCC[N@H+]1CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399430	1	53	0.0	-66.49	415.06	4.35	-62.14
CC(C)[C@@H](C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024399441	0	55	0.0	-68.18	409.39	3.89	-64.29
CC1CC[N@H+](CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024399449	0	53	0.0	-68.15	416.28	4.20	-63.95
CC1CC[N@@H+](CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024399449	1	53	0.0	-68.51	415.14	4.25	-64.26
CC[C@@H](C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024399451	0	52	0.0	-68.40	396.80	3.56	-64.84
CC1=[NH+]C=CN1CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399490	1	48	0.0	-65.51	399.03	4.14	-61.37
CC1=C[NH+]=CN1CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399508	1	48	0.0	-69.73	399.37	4.87	-64.86
C[C@@H]1[C@H](C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024399509	0	53	0.0	-74.32	405.07	3.46	-70.86
C[C@@H]1[C@H](C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024399509	1	53	0.0	-73.12	411.11	3.75	-69.37
C[N@H+](CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024399541	0	53	0.0	-67.12	415.70	4.52	-62.60
C[N@@H+](CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024399541	1	53	0.0	-67.37	415.90	4.54	-62.83
C[NH+]1CCC(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024399548	0	53	0.0	-80.19	413.37	4.09	-76.10
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399561	0	50	0.0	-66.14	388.12	3.02	-63.12
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399561	1	50	0.0	-67.06	391.39	3.40	-63.66
C[N@@H+]1CCCCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399604	0	53	0.0	-66.19	402.09	3.83	-62.36
C[N@H+]1CCCCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399604	1	53	0.0	-67.87	408.30	4.01	-63.86
CC1C(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024399633	0	53	0.0	-68.14	410.54	4.04	-64.10
CC1C(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024399633	1	53	0.0	-70.71	405.09	3.49	-67.22
C[C@@H](C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024399674	0	49	0.0	-67.17	385.93	2.84	-64.33
O=C(CC[NH+]1CCCC1)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399692	0	53	0.0	-70.46	418.01	4.28	-66.18
C[N@H+](CCO)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399697	1	50	0.0	-69.51	397.77	-0.01	-69.52
C[N@@H+](CCO)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399697	1	50	0.0	-70.06	397.52	-0.00	-70.06
CC1C[NH+](CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024399743	1	50	0.0	-69.53	400.66	3.63	-65.90
CC[N@H+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399777	0	49	0.0	-69.26	387.33	3.22	-66.04
CC[N@@H+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399777	1	49	0.0	-69.35	387.33	3.21	-66.14
COCC[N@H+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399830	1	53	0.0	-70.14	419.80	2.38	-67.76
COCC[N@@H+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399830	1	53	0.0	-70.95	419.94	2.38	-68.57
CC(CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024399832	0	55	0.0	-71.00	423.16	4.28	-66.72
CC[N@H+](CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024399837	0	53	0.0	-65.72	418.47	4.55	-61.17
CC[N@@H+](CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024399837	1	53	0.0	-66.96	416.16	4.56	-62.40
C[N@@H+]1CC2CC1(C(=O)N1CC3CCC1CN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024399850	0	51	0.0	-66.40	395.99	3.83	-62.57
C[N@H+]1CC2CC1(C(=O)N1CC3CCC1CN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024399850	1	51	0.0	-68.44	391.37	3.65	-64.79
CC(C[NH+](C)C)C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399859	0	52	0.0	-70.06	407.43	3.60	-66.46
C[NH+](C)C1(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024399865	0	50	0.0	-71.54	389.24	2.98	-68.56
C[C@H](C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024399875	0	49	0.0	-69.38	385.00	2.81	-66.57
CC[N@@H+]1CCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399878	1	50	0.0	-68.33	390.05	3.14	-65.19
CC[N@H+]1CCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399878	1	50	0.0	-66.26	392.91	3.12	-63.14
NC1=CC=[NH+]C=C1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399893	0	46	0.0	-71.60	378.54	0.50	-71.10
CCCC(C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024399897	0	55	0.0	-69.08	417.89	4.15	-64.93
C[NH+](C)C(C)(C)C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399900	0	52	0.0	-67.30	388.12	3.19	-64.11
CC(CC[NH+](C)C)C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399909	0	55	0.0	-75.41	425.95	4.12	-71.29
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C[NH+]1CC2CC2C1	REAL300024399969	0	51	0.0	-69.53	405.01	4.43	-65.10
C[N@@H+]1CCCCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399979	0	53	0.0	-66.19	402.09	3.83	-62.36
C[N@H+]1CCCCC1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024399979	1	53	0.0	-67.87	408.30	4.01	-63.86
C[N@@H+]1CCC(=CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024400007	0	51	0.0	-73.12	407.71	4.06	-69.06
C[N@H+]1CCC(=CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024400007	1	51	0.0	-73.10	407.71	4.06	-69.04
[N-]=[N+]=NCC(=O)N1CC2CCC1CN2C(=O)CSC1=NC(=O)NN1	REAL300024400014	0	40	0.0	-22.23	347.00	-1.85	-24.08
CCC1C[NH+](CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024400030	0	53	0.0	-70.49	422.21	4.40	-66.09
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400035	0	50	0.0	-66.06	390.81	3.37	-62.69
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400035	1	50	0.0	-66.20	388.43	3.00	-63.20
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024400078	0	53	0.0	-72.30	418.44	4.24	-68.06
C[NH+](C)CCOCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400095	0	53	0.0	-70.48	425.90	3.65	-66.83
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C[NH+]1CCCCC1	REAL300024400129	0	53	0.0	-68.85	411.39	4.38	-64.47
C[N@@H+]1CCCC(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024400130	0	53	0.0	-63.92	404.34	4.05	-59.87
C[N@H+]1CCCC(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024400130	1	53	0.0	-68.40	401.95	4.03	-64.37
CN1C=C[N+](CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024400131	0	48	0.0	-67.85	400.92	6.06	-61.79
C[N@H+](CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024400141	0	50	0.0	-66.48	398.94	3.93	-62.55
C[N@@H+](CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024400141	1	50	0.0	-67.39	399.08	3.93	-63.46
CC(CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024400149	0	55	0.0	-72.00	427.15	4.57	-67.43
C[NH+]1CC(CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024400199	0	50	0.0	-69.58	401.48	3.39	-66.19
C[NH+](C)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400206	0	46	0.0	-70.04	370.04	2.55	-67.49
C[N@H+](CCO)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400216	0	53	0.0	-70.13	420.12	0.55	-69.58
C[N@@H+](CCO)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400216	1	53	0.0	-70.90	420.10	0.52	-70.38
C[C@@H](C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024400217	0	49	0.0	-67.17	385.93	2.84	-64.33
CC(C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024400231	0	53	0.0	-70.96	417.03	4.05	-66.91
CC1CC[N@@H+]1CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400232	1	50	0.0	-67.19	395.61	3.32	-63.87
CC1CC[N@H+]1CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400232	1	50	0.0	-67.73	401.14	3.60	-64.13
C[NH+](C)CC=CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400234	0	50	0.0	-74.32	406.16	3.75	-70.57
CC1(C)C[NH+](CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024400238	1	53	0.0	-69.43	420.65	4.16	-65.27
CC[NH+](CC)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400254	0	52	0.0	-68.07	401.40	3.58	-64.49
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C[NH+]1CCC1	REAL300024400259	1	47	0.0	-69.67	380.18	3.00	-66.67
CC[NH+](CC)CCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400279	0	55	0.0	-70.10	427.75	4.46	-65.64
CC(C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024400308	1	50	0.0	-69.10	396.85	3.39	-65.71
C[NH+](C)CC(C)(C)C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400312	0	55	0.0	-71.13	405.68	3.58	-67.55
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400333	0	53	0.0	-66.01	401.86	3.80	-62.21
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400333	1	53	0.0	-64.01	408.47	3.99	-60.02
C[NH+](C)CC(O)CC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400343	0	53	0.0	-74.12	422.52	1.61	-72.51
C=CCC(C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024400355	0	53	0.0	-65.47	410.44	3.93	-61.54
NC(=[NH2+])SCC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400378	0	44	0.0	-71.08	377.96	-0.44	-71.52
CCC1C[NH+](CC(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024400438	0	53	0.0	-70.49	422.21	4.40	-66.09
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400442	0	50	0.0	-66.06	390.81	3.37	-62.69
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024400442	1	50	0.0	-66.20	388.43	3.00	-63.20
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C[NH+]1CCCCC1	REAL300024400449	0	53	0.0	-68.85	411.39	4.38	-64.47
CC1C(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024400453	0	53	0.0	-68.14	410.54	4.04	-64.10
CC1C(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024400453	1	53	0.0	-70.71	405.09	3.49	-67.22
C[NH+](C)CC(=O)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300024400599	0	50	0.0	-72.45	399.44	1.27	-71.18
C[C@@H](C(=O)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300024400604	0	53	0.0	-68.11	416.29	1.64	-66.47
[N-]=[N+]=NCC(=O)N1CCC2(C1)CN(C(=O)CSC1=NC(=O)NN1)CCO2	REAL300024400607	0	44	0.0	-25.16	376.43	-3.15	-28.31
C[C@@H](C(=O)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300024400617	0	53	0.0	-68.11	416.29	1.64	-66.47
O=C(C[NH+]1CCC1)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300024400625	1	51	0.0	-69.87	409.71	1.76	-68.11
C[C@H](C(=O)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300024400630	0	53	0.0	-68.19	415.30	1.56	-66.63
CC[N@H+](C)CC(=O)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300024400642	0	53	0.0	-71.68	417.17	1.93	-69.75
CC[N@@H+](C)CC(=O)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300024400642	1	53	0.0	-71.67	417.18	1.93	-69.74
C[C@@H](C(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024400779	0	53	0.0	-75.12	414.68	1.61	-73.51
CC[N@H+](C)CC(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024400798	0	53	0.0	-72.48	417.19	1.89	-70.59
CC[N@@H+](C)CC(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024400798	1	53	0.0	-72.28	417.19	1.88	-70.40
C[C@H](C(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024400811	0	53	0.0	-72.26	415.84	1.56	-70.70
[N-]=[N+]=NCC(=O)N1CCOC2(CCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300024400835	0	44	0.0	-24.29	376.37	-3.17	-27.46
C[NH+](C)CC(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024400862	0	50	0.0	-73.41	398.36	1.19	-72.22
C[C@@H](C(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024400865	0	53	0.0	-75.12	414.68	1.61	-73.51
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(C1)CN(C(=O)C[NH+]1CCC1)CCO2	REAL300024400872	1	51	0.0	-72.67	409.74	1.69	-70.98
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401067	0	52	0.0	-69.00	414.23	2.25	-66.75
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401067	1	52	0.0	-68.15	411.01	2.09	-66.06
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401091	1	53	0.0	-79.02	421.21	1.80	-77.22
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401091	1	53	0.0	-87.75	425.82	2.10	-85.65
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401230	1	50	0.0	-70.21	416.87	3.22	-66.99
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC[N@@H+]1C	REAL300024401248	0	55	0.0	-70.19	426.60	2.66	-67.53
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC[N@H+]1C	REAL300024401248	1	55	0.0	-77.59	431.31	2.89	-74.70
C[NH+](C)C1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CCC1	REAL300024401268	0	55	0.0	-78.24	422.97	2.65	-75.59
CC(C)[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024401270	0	57	0.0	-70.32	431.33	3.88	-66.44
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CCC1	REAL300024401279	0	55	0.0	-71.53	434.79	3.27	-68.26
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CCC1	REAL300024401279	1	55	0.0	-69.14	437.16	3.53	-65.61
C[NH+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC1	REAL300024401303	0	55	0.0	-75.58	435.60	3.21	-72.37
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401309	0	55	0.0	-61.32	430.94	3.03	-58.29
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401309	1	55	0.0	-69.77	423.60	2.95	-66.82
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401326	1	50	0.0	-73.73	417.17	3.95	-69.78
C[N@@H+]1CCC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401336	0	55	0.0	-67.42	435.84	3.03	-64.39
C[N@H+]1CCC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401336	1	55	0.0	-65.19	434.81	3.24	-61.95
CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024401339	0	54	0.0	-71.45	419.12	2.64	-68.81
C[NH+](C)CCCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401353	0	57	0.0	-75.82	453.83	3.78	-72.04
CC(C)C(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024401356	0	57	0.0	-71.88	436.19	3.60	-68.28
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401357	0	57	0.0	-68.89	450.59	3.42	-65.47
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401357	1	57	0.0	-72.89	452.63	3.49	-69.40
CCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401358	0	54	0.0	-71.48	430.26	2.96	-68.52
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401358	1	54	0.0	-74.71	427.70	3.06	-71.65
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401373	0	52	0.0	-73.67	408.58	1.83	-71.84
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401373	1	52	0.0	-70.84	414.78	2.70	-68.14
CC[NH+](CC)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401385	0	54	0.0	-72.74	424.56	3.00	-69.74
C[NH+](C)CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC1	REAL300024401439	0	55	0.0	-70.62	439.99	3.55	-67.07
C[NH+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC1	REAL300024401461	0	55	0.0	-75.58	435.60	3.21	-72.37
CC(C)[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024401476	0	57	0.0	-70.49	437.00	3.79	-66.70
CC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401503	0	54	0.0	-72.07	431.13	2.76	-69.31
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401503	1	54	0.0	-72.16	431.14	2.76	-69.40
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401513	0	55	0.0	-72.05	433.78	3.44	-68.61
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401513	1	55	0.0	-68.08	429.71	2.92	-65.16
CC1CC[N@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401514	0	55	0.0	-73.82	434.66	3.30	-70.52
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401514	1	55	0.0	-70.21	436.30	3.21	-67.00
CC[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024401516	0	54	0.0	-71.11	418.65	2.68	-68.43
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401552	0	48	0.0	-74.88	388.47	1.64	-73.24
CN1C=C[N+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)=C1	REAL300024401553	0	50	0.0	-69.23	422.26	5.06	-64.17
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401556	0	55	0.0	-66.26	428.65	3.20	-63.06
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401556	1	55	0.0	-63.70	429.23	3.35	-60.35
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+]1CCC1	REAL300024401563	1	52	0.0	-71.20	417.16	2.74	-68.46
C[NH+](C)CC(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401566	0	57	0.0	-74.03	435.67	3.32	-70.71
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CC1	REAL300024401573	0	52	0.0	-68.58	420.31	2.95	-65.63
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CC1	REAL300024401573	1	52	0.0	-72.30	417.88	3.05	-69.25
C[NH+]1CC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401584	0	52	0.0	-74.23	419.83	2.47	-71.76
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024401596	0	51	0.0	-61.80	406.57	2.04	-59.76
CC1(C)CN(C(=O)CSC2=NC(=O)NN2)CC1NC(=O)CN=[N+]=[N-]	REAL300024401603	0	42	0.0	-23.88	365.55	-3.11	-26.99
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024401634	0	51	0.0	-61.80	406.57	2.04	-59.76
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401637	0	55	0.0	-71.35	421.14	3.07	-68.28
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401637	1	55	0.0	-58.36	430.84	3.21	-55.15
C[N@@H+]1CCC(=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401673	0	53	0.0	-74.84	427.53	2.82	-72.02
C[N@H+]1CCC(=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401673	1	53	0.0	-76.10	427.31	3.19	-72.91
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024401691	0	51	0.0	-72.74	407.54	2.12	-70.62
CC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401707	1	52	0.0	-71.16	422.29	2.64	-68.52
C[N@H+](CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401720	1	52	0.0	-75.49	416.55	-0.93	-76.42
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401720	1	52	0.0	-71.95	418.90	-1.03	-72.98
CC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C[NH+](C)C	REAL300024401732	0	57	0.0	-80.01	445.59	3.62	-76.39
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401734	0	51	0.0	-70.97	408.77	2.21	-68.76
CC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401734	1	51	0.0	-74.44	406.20	2.31	-72.13
CC[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CC1	REAL300024401744	0	55	0.0	-71.16	437.67	3.69	-67.47
CC[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CC1	REAL300024401744	1	55	0.0	-67.45	435.93	3.30	-64.15
CC[NH+](CC)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401750	0	57	0.0	-74.95	446.42	3.56	-71.39
C[NH+](C)CC=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401765	0	52	0.0	-78.00	424.43	2.87	-75.13
CC(CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024401782	0	57	0.0	-73.39	445.75	3.37	-70.02
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401786	1	52	0.0	-72.42	413.30	2.36	-70.06
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401786	1	52	0.0	-70.52	421.99	2.39	-68.13
C=CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024401807	0	55	0.0	-71.37	432.14	3.13	-68.24
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[NH+]1CC2CC2C1	REAL300024401815	0	53	0.0	-71.36	426.51	3.44	-67.92
CCCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024401820	0	57	0.0	-72.86	440.37	3.42	-69.44
C[NH+](C)C(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401822	0	54	0.0	-78.51	416.04	2.45	-76.06
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401832	0	55	0.0	-61.32	430.94	3.03	-58.29
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401832	1	55	0.0	-69.77	423.60	2.95	-66.82
C[NH+](C)C1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC1	REAL300024401868	0	52	0.0	-80.02	409.85	3.12	-76.90
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC[NH+]1CCCC1	REAL300024401869	0	55	0.0	-72.38	437.77	3.16	-69.22
C[N@@H+]1CC2CC1(C(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)CC1(C)C)C2	REAL300024401879	1	53	0.0	-61.80	421.40	2.77	-59.03
C[N@H+]1CC2CC1(C(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)CC1(C)C)C2	REAL300024401879	1	53	0.0	-63.60	419.36	2.76	-60.84
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401914	0	54	0.0	-74.97	426.91	2.93	-72.04
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+]1CC(C)C1	REAL300024401934	1	55	0.0	-71.39	436.93	3.42	-67.97
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401935	1	52	0.0	-71.11	414.38	2.10	-69.01
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401935	1	52	0.0	-69.42	422.25	2.60	-66.82
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024401966	0	55	0.0	-63.73	438.59	3.18	-60.55
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024401967	0	57	0.0	-74.19	448.53	3.54	-70.65
C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402136	0	52	0.0	-61.97	412.54	2.20	-59.77
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402136	1	52	0.0	-63.58	408.94	1.80	-61.78
C[N@@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024402162	1	53	0.0	-70.27	423.24	1.73	-68.54
C[N@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024402162	1	53	0.0	-70.55	416.33	1.57	-68.98
C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024402312	0	55	0.0	-68.34	437.28	3.09	-65.25
C[N@H+]1CCC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024402312	1	55	0.0	-67.35	437.60	3.09	-64.26
CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024402315	0	54	0.0	-60.12	417.94	2.40	-57.72
C[NH+](C)CCCCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402325	0	57	0.0	-67.04	454.35	3.58	-63.46
CC(C)C(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024402328	0	57	0.0	-64.11	433.40	3.08	-61.03
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402329	0	57	0.0	-65.79	450.59	3.39	-62.40
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402329	1	57	0.0	-65.50	450.59	3.41	-62.09
CCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402330	0	54	0.0	-64.39	429.93	2.91	-61.48
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402330	1	54	0.0	-62.43	428.15	2.79	-59.64
C[NH+](C)CC1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC1	REAL300024402369	0	55	0.0	-65.34	434.25	3.40	-61.94
CC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402375	0	54	0.0	-65.16	429.09	2.65	-62.51
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402375	1	54	0.0	-64.94	429.09	2.68	-62.26
C[NH+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC1	REAL300024402397	0	55	0.0	-79.06	434.16	3.00	-76.06
CC(C)[C@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024402412	0	57	0.0	-62.34	432.40	2.85	-59.49
C[NH+](C)C1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CCC1	REAL300024402434	0	55	0.0	-61.04	416.75	2.10	-58.94
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402458	0	55	0.0	-60.96	429.04	2.70	-58.26
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402458	1	55	0.0	-61.58	436.20	3.27	-58.31
CC(C)[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024402469	0	57	0.0	-62.16	430.55	3.06	-59.10
CC1CC[N@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024402477	0	55	0.0	-63.29	433.82	3.26	-60.03
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024402477	1	55	0.0	-63.27	437.00	3.20	-60.07
CC[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024402479	0	54	0.0	-63.11	417.45	2.71	-60.40
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402516	1	50	0.0	-60.64	417.38	2.98	-57.66
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402534	1	50	0.0	-64.60	418.75	3.74	-60.86
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC[N@@H+]1C	REAL300024402535	0	55	0.0	-66.86	425.11	2.72	-64.14
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC[N@H+]1C	REAL300024402535	1	55	0.0	-63.92	431.37	3.00	-60.92
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CCC1	REAL300024402565	0	55	0.0	-62.62	436.80	3.48	-59.14
C[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CCC1	REAL300024402565	1	55	0.0	-60.41	435.15	3.37	-57.04
C[NH+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC1	REAL300024402571	0	55	0.0	-79.06	434.16	3.00	-76.06
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402584	0	52	0.0	-61.87	409.60	1.94	-59.93
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402584	1	52	0.0	-61.78	412.36	2.31	-59.47
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402627	0	55	0.0	-62.05	429.79	2.82	-59.23
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402627	1	55	0.0	-60.45	429.30	3.00	-57.45
CC1C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC[N@@H+]1C	REAL300024402656	0	55	0.0	-64.57	431.66	2.92	-61.65
CC1C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC[N@H+]1C	REAL300024402656	1	55	0.0	-63.95	430.00	2.96	-60.99
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024402697	0	51	0.0	-62.83	408.01	1.86	-60.97
CC1(C)CN(C(=O)CC[NH+]2CCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024402715	0	55	0.0	-64.52	437.32	3.17	-61.35
C[N@H+](CCO)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402720	1	52	0.0	-64.54	417.07	-1.16	-65.70
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402720	1	52	0.0	-64.67	418.57	-1.07	-65.74
CC1C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024402763	1	52	0.0	-64.20	422.00	2.59	-61.61
CC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402795	0	51	0.0	-64.03	408.43	2.16	-61.87
CC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402795	1	51	0.0	-63.16	406.72	2.08	-61.08
CC(CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024402848	0	57	0.0	-64.26	446.34	3.19	-61.07
CC[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CC1	REAL300024402853	0	55	0.0	-61.44	430.58	2.98	-58.46
CC[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CC1	REAL300024402853	1	55	0.0	-61.60	430.31	2.98	-58.62
C[N@@H+]1CC2CC1(C(=O)N1CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C1)C2	REAL300024402866	0	53	0.0	-61.38	415.06	2.62	-58.76
C[N@H+]1CC2CC1(C(=O)N1CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C1)C2	REAL300024402866	1	53	0.0	-63.73	414.26	2.62	-61.11
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402875	0	54	0.0	-66.79	423.58	2.64	-64.15
C[NH+](C)C1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC1	REAL300024402881	0	52	0.0	-63.32	410.94	1.90	-61.42
C[C@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024402891	0	51	0.0	-64.17	406.85	1.77	-62.40
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402894	1	52	0.0	-62.36	412.25	2.29	-60.07
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402894	1	52	0.0	-63.87	419.79	2.18	-61.69
CC1(C)CN(C(=O)C2=C[NH+]=CC=C2N)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024402905	0	48	0.0	-63.00	399.22	-0.60	-63.60
CCCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024402909	0	57	0.0	-61.39	441.65	3.23	-58.16
C[NH+](C)C(C)(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402912	0	54	0.0	-60.04	408.87	1.78	-58.26
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402921	0	57	0.0	-68.53	450.16	3.18	-65.35
CC1(C)CN(C(=O)C[NH+]2CC3CC3C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024402980	0	53	0.0	-62.13	424.38	3.27	-58.86
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402988	0	55	0.0	-62.05	429.79	2.82	-59.23
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024402988	1	55	0.0	-60.45	429.30	3.00	-57.45
C[N@@H+]1CCC(=CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024403013	0	53	0.0	-69.82	427.46	2.88	-66.94
C[N@H+]1CCC(=CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024403013	1	53	0.0	-69.84	428.08	3.04	-66.80
CC1(C)CN(C(=O)CN=[N+]=[N-])CC1NC(=O)CSC1=NC(=O)NN1	REAL300024403020	0	42	0.0	-22.39	365.96	-2.98	-25.37
CCC1C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024403036	1	55	0.0	-65.10	443.16	3.30	-61.80
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024403041	0	52	0.0	-61.54	411.28	2.37	-59.17
C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024403041	1	52	0.0	-62.62	406.69	2.11	-60.51
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024403081	0	55	0.0	-66.02	437.89	3.32	-62.70
CC1(C)CN(C(=O)C[NH+]2CCCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024403122	0	55	0.0	-61.61	430.65	3.24	-58.37
C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024403123	0	55	0.0	-77.57	432.79	3.11	-74.46
C[N@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024403123	1	55	0.0	-67.91	435.32	2.97	-64.94
CN1C=C[N+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)=C1	REAL300024403124	0	50	0.0	-62.34	421.93	5.01	-57.33
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CC1	REAL300024403134	0	52	0.0	-60.67	418.26	2.83	-57.84
C[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CC1	REAL300024403134	1	52	0.0	-61.48	418.39	2.83	-58.65
CC(CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C[NH+](C)C	REAL300024403142	0	57	0.0	-65.81	446.17	3.44	-62.37
C[NH+]1CC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024403191	0	52	0.0	-64.44	420.33	2.26	-62.18
C[NH+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024403198	0	48	0.0	-64.02	388.99	1.41	-62.61
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024403206	0	51	0.0	-62.83	408.01	1.86	-60.97
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+]1CC(C)C1	REAL300024403220	0	55	0.0	-61.78	438.75	2.97	-58.81
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024403221	1	52	0.0	-61.09	419.78	2.64	-58.45
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024403221	1	52	0.0	-62.88	421.65	2.42	-60.46
C[NH+](C)CC=CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024403223	0	52	0.0	-69.81	424.38	2.84	-66.97
CC1(C)C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024403227	1	55	0.0	-63.84	440.67	2.91	-60.93
CC[NH+](CC)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024403240	0	54	0.0	-61.68	420.72	2.48	-59.20
CC1(C)CN(C(=O)C[NH+]2CCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024403245	1	49	0.0	-64.31	401.21	1.95	-62.36
CC[NH+](CC)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024403263	0	57	0.0	-64.10	446.94	3.37	-60.73
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+]1CCC1	REAL300024403291	1	52	0.0	-62.03	418.62	2.26	-59.77
C[NH+](C)CC(C)(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024403295	0	57	0.0	-65.26	429.79	2.62	-62.64
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024403315	0	55	0.0	-62.36	417.33	2.31	-60.05
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024403315	1	55	0.0	-59.09	429.55	2.97	-56.12
C=CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024403334	0	55	0.0	-60.36	431.18	2.89	-57.47
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CSC(N)=[NH2+]	REAL300024403357	0	46	0.0	-76.67	396.39	-1.41	-78.08
CCC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024403412	1	55	0.0	-72.29	443.43	3.39	-68.90
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024403416	0	52	0.0	-67.26	416.99	2.55	-64.71
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024403416	1	52	0.0	-73.02	408.46	2.19	-70.83
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[NH+]1CCCCC1	REAL300024403423	0	55	0.0	-74.61	430.20	3.51	-71.10
CC1C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC[N@@H+]1C	REAL300024403427	0	55	0.0	-68.39	436.52	2.94	-65.45
CC1C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC[N@H+]1C	REAL300024403427	1	55	0.0	-70.10	431.59	2.84	-67.26
C[N@@H+]1CCCC1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403634	0	50	0.0	-73.29	397.89	1.81	-71.48
C[N@H+]1CCCC1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403634	1	50	0.0	-72.19	396.39	2.25	-69.94
C[N@@H+]1CCOC(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024403658	1	51	0.0	-87.20	415.84	1.73	-85.47
C[N@H+]1CCOC(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024403658	1	51	0.0	-78.96	415.65	1.83	-77.13
CC1=[NH+]C=CN1CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403797	1	48	0.0	-70.94	407.31	2.88	-68.06
C[C@@H]1[C@H](C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)CC[N@@H+]1C	REAL300024403816	0	53	0.0	-76.32	415.41	2.50	-73.82
C[C@@H]1[C@H](C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)CC[N@H+]1C	REAL300024403816	1	53	0.0	-76.01	428.22	2.79	-73.22
C[NH+](C)C1(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)CCC1	REAL300024403837	0	53	0.0	-79.86	413.58	2.64	-77.22
CC(C)[C@@H](C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300024403839	0	55	0.0	-71.81	422.80	2.79	-69.02
C[N@H+](CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)C1CCC1	REAL300024403849	0	53	0.0	-72.28	424.10	3.25	-69.03
C[N@@H+](CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)C1CCC1	REAL300024403849	1	53	0.0	-72.29	424.00	3.24	-69.05
C[NH+]1CCC(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)CC1	REAL300024403875	0	53	0.0	-78.47	430.21	3.25	-75.22
C[N@@H+]1CCCCC1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403881	0	53	0.0	-71.78	420.45	2.88	-68.90
C[N@H+]1CCCCC1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403881	1	53	0.0	-71.86	417.99	2.97	-68.89
CC1=C[NH+]=CN1CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403898	1	48	0.0	-73.05	406.59	3.56	-69.49
C[N@@H+]1CCC(CC(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024403908	0	53	0.0	-75.58	424.67	2.84	-72.74
C[N@H+]1CCC(CC(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024403908	1	53	0.0	-76.41	431.59	3.15	-73.26
CCC(C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300024403911	0	52	0.0	-71.36	415.97	2.55	-68.81
C[NH+](C)CCCCC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403925	0	55	0.0	-76.46	450.69	3.70	-72.76
CC(C)C(C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300024403929	0	55	0.0	-71.80	432.70	3.80	-68.00
CCC[N@H+](C)CCC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403930	0	55	0.0	-76.50	439.48	3.22	-73.28
CCC[N@@H+](C)CCC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403930	1	55	0.0	-76.50	446.92	3.52	-72.98
CCC[N@H+](C)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403931	0	52	0.0	-74.40	417.11	2.67	-71.73
CCC[N@@H+](C)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403931	1	52	0.0	-74.37	417.11	2.68	-71.69
C[N@@H+]1CCC[C@@H]1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403946	0	50	0.0	-73.38	405.56	2.11	-71.27
C[N@H+]1CCC[C@@H]1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403946	1	50	0.0	-71.48	404.23	2.33	-69.15
CC[NH+](CC)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024403958	0	52	0.0	-72.77	416.91	2.64	-70.13
C[NH+](C)CC1(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)CC1	REAL300024404012	0	53	0.0	-77.69	437.50	3.30	-74.39
C[NH+]1CCC(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)CC1	REAL300024404036	0	53	0.0	-78.47	430.21	3.25	-75.22
CC(C)[C@H](C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300024404051	0	55	0.0	-66.36	420.66	3.56	-62.80
CC[N@H+](C)CCC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404079	0	52	0.0	-75.64	417.98	2.48	-73.16
CC[N@@H+](C)CCC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404079	1	52	0.0	-75.69	417.98	2.49	-73.20
CC1CCC[N@@H+]1CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404090	0	53	0.0	-68.09	415.34	3.02	-65.07
CC1CCC[N@H+]1CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404090	1	53	0.0	-71.61	423.05	3.04	-68.57
CC1CC[N@H+](CC(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024404091	0	53	0.0	-73.70	423.74	3.04	-70.66
CC1CC[N@@H+](CC(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024404091	1	53	0.0	-74.48	431.90	3.27	-71.21
CC[C@@H](C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300024404093	0	52	0.0	-70.91	409.12	2.27	-68.64
C[NH+](C)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404130	0	46	0.0	-74.92	385.33	1.56	-73.36
CN1C=C[N+](CC(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)=C1	REAL300024404131	0	48	0.0	-72.24	409.11	4.77	-67.47
C[N@@H+]1CCCC(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024404134	0	53	0.0	-68.15	416.22	3.10	-65.05
C[N@H+]1CCCC(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024404134	1	53	0.0	-64.37	415.31	3.45	-60.92
CC(C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+]1CCC1	REAL300024404142	1	50	0.0	-69.21	404.79	2.70	-66.51
C[NH+](C)CC(C)(C)C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404145	0	55	0.0	-74.48	432.52	3.23	-71.25
C[N@H+](CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)C1CC1	REAL300024404152	0	50	0.0	-71.38	407.14	2.67	-68.71
C[N@@H+](CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)C1CC1	REAL300024404152	1	50	0.0	-71.26	407.15	2.67	-68.59
C[NH+]1CC(CC(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024404163	0	50	0.0	-74.91	417.08	2.41	-72.50
C[C@@H](C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300024404175	0	49	0.0	-70.22	394.21	2.19	-68.03
[N-]=[N+]=NCC(=O)NCC1C2CN(C(=O)CSC3=NC(=O)NN3)CC12	REAL300024404182	0	40	0.0	-25.07	362.60	-2.82	-27.89
C[N@H+](CCO)CCC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404214	0	53	0.0	-75.66	428.33	-0.74	-76.40
C[N@@H+](CCO)CCC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404214	1	53	0.0	-75.16	435.75	-0.46	-75.62
C[C@@H](C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300024404215	0	49	0.0	-70.22	394.21	2.19	-68.03
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404218	0	53	0.0	-72.35	411.11	2.70	-69.65
C[N@H+]1CCCC[C@@H]1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404218	1	53	0.0	-71.59	419.85	2.86	-68.73
O=C(C[NH+]1CCC1)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404245	1	47	0.0	-71.20	386.72	2.05	-69.15
C[N@@H+]1CCC(=CC(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024404255	0	51	0.0	-76.93	416.72	2.80	-74.13
C[N@H+]1CCC(=CC(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024404255	1	51	0.0	-74.24	415.48	3.18	-71.06
C[NH+](C)CCOCC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404265	0	53	0.0	-74.58	441.20	2.62	-71.96
C[C@H](C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300024404276	0	49	0.0	-68.68	394.45	2.10	-66.58
CC1C[NH+](CC(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024404293	1	50	0.0	-71.33	407.90	2.72	-68.61
C[N@H+](CCO)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404306	1	50	0.0	-74.67	405.97	-1.30	-75.97
C[N@@H+](CCO)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404306	1	50	0.0	-74.98	413.49	-0.99	-75.97
CC(CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)C[NH+](C)C	REAL300024404318	0	55	0.0	-78.86	442.47	3.54	-75.32
CC[N@H+](C)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404320	0	49	0.0	-73.96	395.61	1.93	-72.03
CC[N@@H+](C)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404320	1	49	0.0	-73.93	395.61	1.94	-71.99
CC[N@H+](CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)C1CC1	REAL300024404330	0	53	0.0	-71.43	424.24	3.24	-68.19
CC[N@@H+](CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)C1CC1	REAL300024404330	1	53	0.0	-71.56	424.28	3.24	-68.32
CC[NH+](CC)CCC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404336	0	55	0.0	-75.05	438.92	3.20	-71.85
CC1(C)C[NH+](CC(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024404344	1	53	0.0	-71.42	427.46	3.30	-68.12
C[NH+](C)CC=CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404351	0	50	0.0	-78.00	421.29	2.77	-75.23
COCC[N@H+](C)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404360	1	53	0.0	-74.82	435.74	1.41	-73.41
COCC[N@@H+](C)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404360	1	53	0.0	-74.93	428.22	1.10	-73.83
CC(CCC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300024404369	0	55	0.0	-74.11	442.68	3.31	-70.80
CC[N@@H+]1CCC1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404373	1	50	0.0	-68.80	401.39	2.38	-66.42
CC[N@H+]1CCC1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404373	1	50	0.0	-73.36	409.52	2.29	-71.07
C=CCC(C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300024404398	0	53	0.0	-70.90	428.99	3.04	-67.86
O=C(C[NH+]1CC2CC2C1)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404406	0	51	0.0	-74.66	413.20	3.14	-71.52
CCCC(C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300024404412	0	55	0.0	-72.34	437.23	3.34	-69.00
C[NH+](C)C(C)(C)C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404414	0	52	0.0	-77.24	412.56	2.75	-74.49
C[N@@H+]1CCCCC1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404424	0	53	0.0	-71.78	420.45	2.88	-68.90
C[N@H+]1CCCCC1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404424	1	53	0.0	-71.86	417.99	2.97	-68.89
C[NH+](C)C1(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)CC1	REAL300024404461	0	50	0.0	-78.70	409.43	2.64	-76.06
O=C(CC[NH+]1CCCC1)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404462	0	53	0.0	-75.85	424.60	2.87	-72.98
C[N@@H+]1CC2CC1(C(=O)NCC1C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC13)C2	REAL300024404472	0	51	0.0	-77.50	418.15	2.68	-74.82
C[N@H+]1CC2CC1(C(=O)NCC1C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC13)C2	REAL300024404472	1	51	0.0	-77.38	409.34	2.35	-75.03
CC(C[NH+](C)C)C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404508	0	52	0.0	-75.24	423.79	2.84	-72.40
CC(C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+]1CC(C)C1	REAL300024404531	1	53	0.0	-68.60	424.54	3.40	-65.20
CC1CC[N@@H+]1CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404532	1	50	0.0	-72.55	411.08	2.37	-70.18
CC1CC[N@H+]1CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404532	1	50	0.0	-72.67	412.12	2.41	-70.26
C[NH+](C)CC(O)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404534	0	53	0.0	-79.01	438.03	0.56	-78.45
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024404564	0	53	0.0	-74.80	434.97	3.28	-71.52
CC(CC[NH+](C)C)C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024404565	0	55	0.0	-75.23	445.37	3.44	-71.79
C[N@@H+]1CCCC1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024404735	0	50	0.0	-72.93	403.62	2.01	-70.92
C[N@H+]1CCCC1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024404735	1	50	0.0	-67.31	398.83	2.03	-65.28
C[N@@H+]1CCOC(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024404761	1	51	0.0	-78.90	411.89	1.62	-77.28
C[N@H+]1CCOC(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024404761	1	51	0.0	-75.68	411.81	1.64	-74.04
C[N@@H+]1CCC(CC(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024404911	0	53	0.0	-76.56	432.06	3.07	-73.49
C[N@H+]1CCC(CC(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024404911	1	53	0.0	-73.75	424.33	2.83	-70.92
CCC(C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024404914	0	52	0.0	-71.34	413.01	2.56	-68.78
C[NH+](C)CCCCC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024404924	0	55	0.0	-75.73	441.99	3.73	-72.00
CC(C)C(C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024404929	0	55	0.0	-71.82	429.71	3.40	-68.42
CCC[N@H+](C)CCC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024404930	0	55	0.0	-75.83	446.91	3.47	-72.36
CCC[N@@H+](C)CCC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024404930	1	55	0.0	-75.85	446.92	3.50	-72.35
CCC[N@H+](C)CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024404931	0	52	0.0	-73.22	424.79	2.91	-70.31
CCC[N@@H+](C)CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024404931	1	52	0.0	-73.17	424.79	2.91	-70.26
C[NH+](C)CC1(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC1	REAL300024404970	0	53	0.0	-71.31	423.40	2.93	-68.38
CC[N@H+](C)CCC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024404976	0	52	0.0	-75.04	425.42	2.74	-72.30
CC[N@@H+](C)CCC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024404976	1	52	0.0	-75.02	425.41	2.76	-72.26
C[NH+]1CCC(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC1	REAL300024405000	0	53	0.0	-79.81	426.34	2.87	-76.94
CC(C)[C@H](C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024405015	0	55	0.0	-68.04	422.31	2.98	-65.06
C[NH+](C)C1(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)CCC1	REAL300024405039	0	53	0.0	-75.43	407.05	2.25	-73.18
CC1CCC[N@@H+]1CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405064	0	53	0.0	-66.70	416.59	2.60	-64.10
CC1CCC[N@H+]1CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405064	1	53	0.0	-69.64	424.22	2.88	-66.76
CC(C)[C@@H](C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024405075	0	55	0.0	-66.97	421.46	2.92	-64.05
CC1CC[N@H+](CC(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024405083	0	53	0.0	-69.54	424.53	2.94	-66.60
CC1CC[N@@H+](CC(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024405083	1	53	0.0	-72.33	430.83	3.24	-69.09
CC[C@@H](C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024405085	0	52	0.0	-71.98	415.72	2.49	-69.49
CC1=[NH+]C=CN1CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405124	1	48	0.0	-70.23	413.96	3.08	-67.15
CC1=C[NH+]=CN1CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405142	1	48	0.0	-71.50	406.38	3.91	-67.59
C[C@@H]1[C@H](C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC[N@@H+]1C	REAL300024405143	0	53	0.0	-75.72	414.52	2.53	-73.19
C[C@@H]1[C@H](C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC[N@H+]1C	REAL300024405143	1	53	0.0	-76.72	419.98	2.41	-74.31
C[N@H+](CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CCC1	REAL300024405175	0	53	0.0	-71.80	431.78	3.45	-68.35
C[N@@H+](CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CCC1	REAL300024405175	1	53	0.0	-70.87	431.71	3.49	-67.38
C[NH+]1CCC(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC1	REAL300024405182	0	53	0.0	-79.81	426.34	2.87	-76.94
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405195	0	50	0.0	-73.28	404.01	1.99	-71.29
C[N@H+]1CCC[C@@H]1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405195	1	50	0.0	-70.16	408.00	2.39	-67.77
C[N@@H+]1CCCCC1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405238	0	53	0.0	-70.60	414.79	2.61	-67.99
C[N@H+]1CCCCC1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405238	1	53	0.0	-70.04	405.94	2.60	-67.44
CC1C(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC[N@@H+]1C	REAL300024405267	0	53	0.0	-74.50	426.10	3.07	-71.43
CC1C(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC[N@H+]1C	REAL300024405267	1	53	0.0	-73.74	424.10	2.58	-71.16
C[C@@H](C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024405308	0	49	0.0	-69.76	394.24	1.57	-68.19
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)CC[NH+]3CCCC3)CC12	REAL300024405326	0	53	0.0	-72.57	426.33	2.97	-69.60
C[N@H+](CCO)CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405331	1	50	0.0	-73.58	413.64	-1.06	-74.64
C[N@@H+](CCO)CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405331	1	50	0.0	-73.57	413.43	-1.05	-74.62
CC1C[NH+](CC(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024405377	1	50	0.0	-70.57	409.19	2.30	-68.27
CC[N@H+](C)CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405411	0	49	0.0	-70.62	394.36	2.24	-68.38
CC[N@@H+](C)CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405411	1	49	0.0	-73.75	403.41	2.14	-71.61
COCC[N@H+](C)CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405464	1	53	0.0	-73.38	435.69	1.36	-72.02
COCC[N@@H+](C)CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405464	1	53	0.0	-73.91	435.89	1.34	-72.57
CC(CCC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024405466	0	55	0.0	-77.65	429.78	3.35	-74.30
CC[N@H+](CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CC1	REAL300024405471	0	53	0.0	-66.99	425.76	3.59	-63.40
CC[N@@H+](CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CC1	REAL300024405471	1	53	0.0	-68.33	419.42	3.10	-65.23
C[N@@H+]1CC2CC1(C(=O)N1CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C1)C2	REAL300024405484	0	51	0.0	-70.27	404.62	2.40	-67.87
C[N@H+]1CC2CC1(C(=O)N1CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C1)C2	REAL300024405484	1	51	0.0	-75.16	413.62	2.49	-72.67
CC(C[NH+](C)C)C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405493	0	52	0.0	-75.36	423.76	2.64	-72.72
C[NH+](C)C1(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC1	REAL300024405499	0	50	0.0	-70.48	400.79	1.76	-68.72
C[C@H](C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024405509	0	49	0.0	-71.30	401.98	1.86	-69.44
CC[N@@H+]1CCC1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405512	0	50	0.0	-68.47	398.48	2.03	-66.44
CC[N@H+]1CCC1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405512	1	50	0.0	-71.09	407.68	2.11	-68.98
NC1=CC=[NH+]C=C1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405527	0	46	0.0	-70.99	384.98	-0.87	-71.86
CCCC(C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024405531	0	55	0.0	-68.96	427.38	2.88	-66.08
C[NH+](C)C(C)(C)C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405534	0	52	0.0	-75.06	407.14	2.05	-73.01
CC(CC[NH+](C)C)C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405543	0	55	0.0	-76.46	445.81	3.28	-73.18
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C[NH+]3CC4CC4C3)CC12	REAL300024405603	0	51	0.0	-73.02	421.02	3.39	-69.63
C[N@@H+]1CCCCC1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405613	0	53	0.0	-70.60	414.79	2.61	-67.99
C[N@H+]1CCCCC1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405613	1	53	0.0	-70.04	405.94	2.60	-67.44
C[N@@H+]1CCC(=CC(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024405641	0	51	0.0	-78.20	421.97	3.05	-75.15
C[N@H+]1CCC(=CC(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024405641	1	51	0.0	-77.28	415.52	2.74	-74.54
[N-]=[N+]=NCC(=O)N1CC2C(CNC(=O)CSC3=NC(=O)NN3)C2C1	REAL300024405648	0	40	0.0	-25.58	355.44	-3.17	-28.75
CCC1C[NH+](CC(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024405664	0	53	0.0	-71.52	430.55	3.06	-68.46
C[N@@H+]1CCC[C@H]1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405669	0	50	0.0	-70.15	406.78	2.35	-67.80
C[N@H+]1CCC[C@H]1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405669	1	50	0.0	-69.05	396.26	1.73	-67.32
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024405712	0	53	0.0	-75.64	434.36	3.22	-72.42
C[NH+](C)CCOCC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405729	0	53	0.0	-71.69	432.50	2.69	-69.00
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C[NH+]3CCCCC3)CC12	REAL300024405763	0	53	0.0	-70.31	418.36	3.44	-66.87
C[N@@H+]1CCCC(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024405764	0	53	0.0	-71.76	420.94	3.02	-68.74
C[N@H+]1CCCC(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024405764	1	53	0.0	-65.20	412.87	2.76	-62.44
CN1C=C[N+](CC(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)=C1	REAL300024405765	0	48	0.0	-69.57	407.86	5.09	-64.48
C[N@H+](CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CC1	REAL300024405775	0	50	0.0	-67.83	406.05	2.92	-64.91
C[N@@H+](CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CC1	REAL300024405775	1	50	0.0	-70.66	414.73	2.91	-67.75
CC(CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)C[NH+](C)C	REAL300024405783	0	55	0.0	-74.22	433.81	3.60	-70.62
C[NH+]1CC(CC(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024405833	0	50	0.0	-74.22	407.91	2.42	-71.80
C[NH+](C)CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405840	0	46	0.0	-71.47	376.63	1.57	-69.90
C[N@H+](CCO)CCC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405850	0	53	0.0	-74.72	435.76	-0.48	-75.20
C[N@@H+](CCO)CCC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405850	1	53	0.0	-74.54	435.75	-0.50	-75.04
C[C@@H](C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024405851	0	49	0.0	-69.76	394.24	1.57	-68.19
CC(C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+]1CC(C)C1	REAL300024405865	0	53	0.0	-68.12	423.23	2.55	-65.57
CC1CC[N@@H+]1CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405866	0	50	0.0	-69.63	409.23	2.30	-67.33
CC1CC[N@H+]1CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405866	1	50	0.0	-71.79	416.65	2.60	-69.19
C[NH+](C)CC=CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405868	0	50	0.0	-76.82	412.63	2.40	-74.42
CC1(C)C[NH+](CC(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300024405872	1	53	0.0	-73.30	436.01	3.10	-70.20
CC[NH+](CC)CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405888	0	52	0.0	-68.73	409.63	2.28	-66.45
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C[NH+]3CCC3)CC12	REAL300024405893	1	47	0.0	-70.80	388.19	1.68	-69.12
CC[NH+](CC)CCC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405913	0	55	0.0	-72.76	434.09	3.51	-69.25
CC(C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+]1CCC1	REAL300024405942	0	50	0.0	-67.89	396.48	1.73	-66.16
C[NH+](C)CC(C)(C)C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405946	0	55	0.0	-74.61	427.37	2.73	-71.88
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405967	0	53	0.0	-68.36	410.07	2.47	-65.89
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405967	1	53	0.0	-66.46	417.52	3.13	-63.33
C[NH+](C)CC(O)CC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024405977	0	53	0.0	-77.13	430.95	0.29	-76.84
C=CCC(C(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024405989	0	53	0.0	-69.12	425.70	2.87	-66.25
NC(=[NH2+])SCC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024406012	0	44	0.0	-76.16	393.25	-1.49	-77.65
CCC1C[NH+](CC(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300024406072	1	53	0.0	-72.30	429.28	3.48	-68.82
C[N@@H+]1CCC[C@H]1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024406076	0	50	0.0	-68.05	402.33	2.59	-65.46
C[N@H+]1CCC[C@H]1C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024406076	1	50	0.0	-72.96	397.86	1.81	-71.15
O=C(C[NH+]1CCCCC1)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024406083	0	53	0.0	-74.09	419.60	3.13	-70.96
CC1C(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)CC[N@@H+]1C	REAL300024406087	0	53	0.0	-72.75	431.27	3.11	-69.64
CC1C(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)CC[N@H+]1C	REAL300024406087	1	53	0.0	-76.25	415.52	2.45	-73.80
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+]2C)CCO1	REAL300024406228	0	53	0.0	-70.75	419.84	1.29	-69.46
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+]2C)CCO1	REAL300024406228	1	53	0.0	-70.54	422.60	1.27	-69.27
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1	REAL300024406321	0	53	0.0	-70.69	419.92	1.28	-69.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1	REAL300024406321	1	53	0.0	-72.69	414.50	0.49	-72.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+](C)C)CCO1	REAL300024406396	0	49	0.0	-74.62	397.99	0.44	-74.18
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)[NH+]2CCC2)CCO1	REAL300024406400	1	53	0.0	-71.15	417.99	0.95	-70.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)C2CC2)CCO1	REAL300024406405	0	53	0.0	-70.87	427.26	1.85	-69.02
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)C2CC2)CCO1	REAL300024406405	1	53	0.0	-71.71	425.35	1.35	-70.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2C[NH+](C)C2)CCO1	REAL300024406410	0	53	0.0	-75.07	429.28	1.32	-73.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H](C)[NH+](C)C)CCO1	REAL300024406417	0	52	0.0	-71.27	413.15	0.75	-70.52
CC(NC(=O)CSC1=NC(=O)NN1)C1CN(C(=O)CN=[N+]=[N-])CCO1	REAL300024406420	0	43	0.0	-24.27	374.96	-3.96	-28.23
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H](C)[NH+](C)C)CCO1	REAL300024406437	0	52	0.0	-71.27	413.15	0.75	-70.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC2)CCO1	REAL300024406449	1	50	0.0	-74.48	408.19	0.89	-73.59
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H](C)[NH+](C)C)CCO1	REAL300024406457	0	52	0.0	-72.63	412.21	0.28	-72.35
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC(C)C2)CCO1	REAL300024406463	1	53	0.0	-74.37	429.22	1.52	-72.85
CC[N@H+](C)CC(=O)N1CCOC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024406478	0	52	0.0	-73.95	415.70	1.09	-72.86
CC[N@@H+](C)CC(=O)N1CCOC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024406478	1	52	0.0	-73.86	415.73	1.11	-72.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=CC[NH+](C)C)CCO1	REAL300024406493	0	53	0.0	-78.49	434.14	1.72	-76.77
CC[N@@H+]1CCC1C(=O)N1CCOC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024406497	1	53	0.0	-74.33	426.66	0.85	-73.48
CC[N@H+]1CCC1C(=O)N1CCOC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024406497	1	53	0.0	-73.55	427.81	1.37	-72.18
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CC2)CCO1	REAL300024406526	0	53	0.0	-75.69	420.53	1.11	-74.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC2C)CCO1	REAL300024406549	1	53	0.0	-72.53	421.89	0.76	-71.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC2C)CCO1	REAL300024406549	1	53	0.0	-73.08	429.20	1.54	-71.54
CC(NC(=O)C1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406649	0	53	0.0	-66.95	421.04	1.13	-65.82
CC(NC(=O)C1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406649	1	53	0.0	-67.61	417.99	1.07	-66.54
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406799	0	53	0.0	-66.88	421.89	1.08	-65.80
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406799	1	53	0.0	-68.24	416.06	0.59	-67.65
CC(NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406850	0	52	0.0	-67.39	415.54	0.92	-66.47
CC(NC(=O)C[NH+]1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406871	1	53	0.0	-69.78	427.41	1.68	-68.10
CC[N@H+](C)CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406888	0	52	0.0	-69.49	413.82	0.71	-68.78
CC[N@@H+](C)CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406888	1	52	0.0	-69.51	413.84	0.72	-68.79
CC(NC(=O)C1([NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406914	0	53	0.0	-72.20	419.34	1.27	-70.93
CC(NC(=O)[C@@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406918	0	52	0.0	-68.37	415.47	0.94	-67.43
CC[N@@H+]1CCC1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406920	1	53	0.0	-69.09	427.75	1.01	-68.08
CC[N@H+]1CCC1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406920	1	53	0.0	-67.44	420.91	0.77	-66.67
CC(NC(=O)CN=[N+]=[N-])C1CN(C(=O)CSC2=NC(=O)NN2)CCO1	REAL300024406965	0	43	0.0	-23.29	373.05	-4.35	-27.64
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406976	0	53	0.0	-67.40	417.38	1.06	-66.34
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406976	1	53	0.0	-65.81	423.02	1.47	-64.34
CC(NC(=O)C[N@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024407007	0	53	0.0	-67.02	425.38	1.45	-65.57
CC(NC(=O)C[N@@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024407007	1	53	0.0	-67.04	425.35	1.45	-65.59
CC(NC(=O)CC1C[NH+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024407029	0	53	0.0	-71.81	427.55	0.86	-70.95
CC(NC(=O)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024407032	0	49	0.0	-70.30	396.09	0.05	-70.25
CC(NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024407035	0	52	0.0	-67.39	415.54	0.92	-66.47
CC(NC(=O)C[N@@H+]1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024407042	1	53	0.0	-68.58	427.43	1.13	-67.45
CC(NC(=O)C[N@H+]1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024407042	1	53	0.0	-67.37	423.15	1.33	-66.04
CC(NC(=O)C=CC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024407043	0	53	0.0	-73.45	433.33	1.74	-71.71
CC(NC(=O)C(C)[NH+]1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024407066	1	53	0.0	-67.61	424.31	1.11	-66.50
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1	REAL300024407120	0	53	0.0	-74.47	416.14	0.95	-73.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1	REAL300024407120	1	53	0.0	-71.84	421.55	0.85	-70.99
C[NH+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300024407239	0	52	0.0	-74.00	414.59	2.39	-71.61
C[C@@H](C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300024407244	0	55	0.0	-71.52	428.47	3.05	-68.47
[N-]=[N+]=NCC(=O)NC1CCC2CN(C(=O)CSC3=NC(=O)NN3)CC2C1	REAL300024407247	0	46	0.0	-24.69	392.43	-1.96	-26.65
C[C@@H](C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300024407257	0	55	0.0	-71.52	428.47	3.05	-68.47
O=C(C[NH+]1CCC1)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300024407265	1	53	0.0	-70.97	421.92	3.16	-67.81
C[C@H](C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300024407270	0	55	0.0	-73.08	433.60	2.86	-70.22
CC[N@H+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300024407282	0	55	0.0	-72.95	428.30	3.32	-69.63
CC[N@@H+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300024407282	1	55	0.0	-72.86	428.31	3.31	-69.55
C[C@@H](C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300024407428	0	55	0.0	-71.19	430.76	2.66	-68.53
CC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300024407447	0	55	0.0	-73.48	432.31	3.02	-70.46
CC[N@@H+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300024407447	1	55	0.0	-72.26	428.31	3.27	-68.99
C[C@H](C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300024407460	0	55	0.0	-70.00	428.44	2.96	-67.04
[N-]=[N+]=NCC(=O)N1CC2CCC(NC(=O)CSC3=NC(=O)NN3)CC2C1	REAL300024407485	0	46	0.0	-24.58	392.42	-2.01	-26.59
C[NH+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300024407516	0	52	0.0	-73.68	415.46	2.40	-71.28
C[C@@H](C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300024407519	0	55	0.0	-71.19	430.76	2.66	-68.53
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CN(C(=O)C[NH+]3CCC3)CC2C1	REAL300024407526	1	53	0.0	-71.85	421.34	3.09	-68.76
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@@H+]1C	REAL300024407725	0	52	0.0	-69.19	411.18	1.92	-67.27
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@H+]1C	REAL300024407725	1	52	0.0	-67.92	411.45	1.86	-66.06
CC1=[NH+]C=CN1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024407885	1	50	0.0	-66.96	422.23	2.98	-63.98
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024407901	0	55	0.0	-72.09	427.30	2.32	-69.77
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024407901	1	55	0.0	-72.05	434.88	2.56	-69.49
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)C1CCC1	REAL300024407924	0	55	0.0	-68.01	438.35	3.38	-64.63
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)C1CCC1	REAL300024407924	1	55	0.0	-67.81	439.01	3.34	-64.47
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[NH+](C)CC1	REAL300024407947	0	55	0.0	-71.47	435.42	2.86	-68.61
CC1=C[NH+]=CN1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024407962	1	50	0.0	-69.87	422.55	3.71	-66.16
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC[N@H+](C)C1	REAL300024407969	0	55	0.0	-71.49	438.58	2.99	-68.50
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC[N@@H+](C)C1	REAL300024407969	1	55	0.0	-71.69	439.27	2.95	-68.74
CCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024407972	0	54	0.0	-67.69	421.94	2.40	-65.29
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCCC[NH+](C)C	REAL300024407983	0	57	0.0	-72.05	457.83	3.52	-68.53
CCC[N@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024407986	0	57	0.0	-71.99	454.37	3.35	-68.64
CCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024407986	1	57	0.0	-71.82	453.85	3.38	-68.44
CCC[N@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024407987	0	54	0.0	-68.72	430.46	2.72	-66.00
CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024407987	1	54	0.0	-69.96	432.02	2.78	-67.18
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300024407999	0	52	0.0	-67.05	415.92	2.31	-64.74
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCC[N@H+]1C	REAL300024407999	1	52	0.0	-69.14	411.01	1.86	-67.28
CC[NH+](CC)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024408007	0	54	0.0	-68.00	424.06	2.42	-65.58
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1(C[NH+](C)C)CC1	REAL300024408052	0	55	0.0	-70.91	436.92	3.02	-67.89
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[NH+](C)CC1	REAL300024408066	0	55	0.0	-71.47	435.42	2.86	-68.61
CC[N@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024408091	0	54	0.0	-71.18	432.34	2.64	-68.54
CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024408091	1	54	0.0	-71.18	432.34	2.64	-68.54
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CCCC1C	REAL300024408099	0	55	0.0	-66.58	431.15	2.73	-63.85
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+]1CCCC1C	REAL300024408099	1	55	0.0	-66.59	431.49	2.74	-63.85
CC1CC[N@H+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024408100	0	55	0.0	-67.76	436.27	3.09	-64.67
CC1CC[N@@H+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024408100	1	55	0.0	-67.56	436.51	3.02	-64.54
CC[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024408102	0	54	0.0	-67.65	421.35	2.37	-65.28
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+](C)C	REAL300024408130	0	48	0.0	-70.32	392.47	1.34	-68.98
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N+]1=CN(C)C=C1	REAL300024408131	0	50	0.0	-68.19	423.49	4.91	-63.28
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@H+](C)C1	REAL300024408134	0	55	0.0	-74.40	430.04	2.60	-71.80
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@@H+](C)C1	REAL300024408134	1	55	0.0	-64.40	427.23	3.08	-61.32
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CCC1	REAL300024408140	0	52	0.0	-65.87	419.38	2.25	-63.62
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)C1CC1	REAL300024408149	0	52	0.0	-67.42	421.65	2.82	-64.60
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)C1CC1	REAL300024408149	1	52	0.0	-67.11	422.04	2.77	-64.34
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1C[NH+](C)C1	REAL300024408158	0	52	0.0	-70.74	423.91	2.21	-68.53
C[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024408170	0	51	0.0	-66.74	407.07	1.70	-65.04
CC1CC(CNC(=O)CSC2=NC(=O)NN2)CN1C(=O)CN=[N+]=[N-]	REAL300024408177	0	42	0.0	-25.69	369.44	-3.06	-28.75
C[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024408203	0	51	0.0	-66.74	407.07	1.70	-65.04
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024408206	0	55	0.0	-66.92	433.21	2.96	-63.96
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300024408206	1	55	0.0	-68.53	424.60	2.70	-65.83
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCC1	REAL300024408230	1	49	0.0	-69.86	402.85	1.90	-67.96
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=C1CC[N@H+](C)C1	REAL300024408237	0	53	0.0	-72.35	428.18	2.92	-69.43
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=C1CC[N@@H+](C)C1	REAL300024408237	1	53	0.0	-72.48	428.45	2.88	-69.60
C[C@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024408252	0	51	0.0	-68.54	408.92	1.77	-66.77
CC1C[NH+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024408267	1	52	0.0	-70.02	422.83	2.53	-67.49
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)CCO	REAL300024408279	1	52	0.0	-69.36	419.32	-1.25	-70.61
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)CCO	REAL300024408279	1	52	0.0	-68.64	419.10	-1.27	-69.91
CC(CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300024408289	0	57	0.0	-74.17	449.61	3.37	-70.80
CC[N@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024408291	0	51	0.0	-69.53	410.23	2.02	-67.51
CC[N@@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024408291	1	51	0.0	-69.52	410.52	2.04	-67.48
CC[N@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300024408300	0	55	0.0	-66.14	440.85	3.43	-62.71
CC[N@@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300024408300	1	55	0.0	-66.02	437.58	3.11	-62.91
CC[NH+](CC)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024408305	0	57	0.0	-70.28	450.42	3.29	-66.99
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CC(C)(C)C1	REAL300024408313	1	55	0.0	-69.86	443.20	3.04	-66.82
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=CC[NH+](C)C	REAL300024408318	0	52	0.0	-73.56	427.48	2.56	-71.00
CC(CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024408331	0	57	0.0	-72.57	446.12	3.11	-69.46
CC[N@@H+]1CCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024408335	0	52	0.0	-69.06	423.81	2.37	-66.69
CC[N@H+]1CCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024408335	1	52	0.0	-67.43	415.79	1.98	-65.45
C=CCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024408353	0	55	0.0	-67.16	434.72	2.80	-64.36
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CC2CC2C1	REAL300024408360	0	53	0.0	-69.47	426.79	3.24	-66.23
CCCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024408364	0	57	0.0	-68.33	443.39	3.10	-65.23
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCCC[N@@H+]1C	REAL300024408374	0	55	0.0	-67.53	420.99	2.50	-65.03
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCCC[N@H+]1C	REAL300024408374	1	55	0.0	-66.95	433.12	2.99	-63.96
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[NH+]1CCCC1	REAL300024408406	0	55	0.0	-71.16	439.20	2.99	-68.17
CC(C[NH+](C)C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024408440	0	54	0.0	-68.24	432.87	2.41	-65.83
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CC(C)C1	REAL300024408459	0	55	0.0	-67.24	435.75	2.84	-64.40
CC1CC[N@@H+]1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024408460	0	52	0.0	-67.82	418.05	2.23	-65.59
CC1CC[N@H+]1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024408460	1	52	0.0	-68.46	423.73	2.47	-65.99
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024408487	0	55	0.0	-70.59	440.64	3.10	-67.49
CC(CC[NH+](C)C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024408488	0	57	0.0	-71.14	451.40	3.07	-68.07
CC1CC(CNC(=O)C2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408653	0	52	0.0	-71.00	411.06	1.96	-69.04
CC1CC(CNC(=O)C2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408653	1	52	0.0	-67.40	418.78	2.51	-64.89
CC1CC(CNC(=O)C2C[N@H+](C)CCO2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408679	1	53	0.0	-79.10	429.80	1.89	-77.21
CC1CC(CNC(=O)C2C[N@@H+](C)CCO2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408679	1	53	0.0	-75.70	422.74	1.71	-73.99
CC1CC(CNC(=O)CC2CC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408829	0	55	0.0	-70.81	438.60	3.06	-67.75
CC1CC(CNC(=O)CC2CC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408829	1	55	0.0	-70.90	439.12	3.08	-67.82
CCC(C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024408832	0	54	0.0	-68.91	423.49	2.35	-66.56
CC1CC(CNC(=O)CCCC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408842	0	57	0.0	-71.57	457.61	3.61	-67.96
CC(C)C(C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024408845	0	57	0.0	-66.71	437.00	2.96	-63.75
CCC[N@H+](C)CCC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024408846	0	57	0.0	-71.46	454.38	3.38	-68.08
CCC[N@@H+](C)CCC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024408846	1	57	0.0	-71.62	454.37	3.37	-68.25
CCC[N@H+](C)CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024408847	0	54	0.0	-69.75	431.49	2.88	-66.87
CCC[N@@H+](C)CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024408847	1	54	0.0	-69.85	431.49	2.87	-66.98
CC1CC(CNC(=O)C2(C[NH+](C)C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408886	0	55	0.0	-68.86	441.78	3.28	-65.58
CC[N@H+](C)CCC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024408892	0	54	0.0	-70.83	432.87	2.64	-68.19
CC[N@@H+](C)CCC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024408892	1	54	0.0	-71.02	432.87	2.63	-68.39
CC1CC(CNC(=O)C2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408914	0	55	0.0	-70.91	436.82	3.12	-67.79
CC(C)[C@H](C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024408929	0	57	0.0	-68.71	441.31	3.73	-64.98
CC1CC(CNC(=O)C2([NH+](C)C)CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408951	0	55	0.0	-65.83	426.20	3.06	-62.77
CC1CC(CNC(=O)C[N@@H+]2CCCC2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408975	0	55	0.0	-66.91	437.73	3.25	-63.66
CC1CC(CNC(=O)C[N@H+]2CCCC2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408975	1	55	0.0	-67.09	438.44	3.06	-64.03
CC(C)[C@@H](C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024408986	0	57	0.0	-66.50	438.40	2.94	-63.56
CC1CC[N@H+](CC(=O)NCC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024408994	0	55	0.0	-68.95	438.72	3.05	-65.90
CC1CC[N@@H+](CC(=O)NCC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024408994	1	55	0.0	-68.96	437.92	3.16	-65.80
CC[C@@H](C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024408996	0	54	0.0	-67.07	423.43	2.41	-64.66
CC1=[NH+]C=CN1CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024409033	1	50	0.0	-66.76	421.69	3.08	-63.68
CC1=C[NH+]=CN1CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024409051	1	50	0.0	-70.17	420.97	3.75	-66.42
CC1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409052	0	55	0.0	-71.08	429.95	2.65	-68.43
CC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409052	1	55	0.0	-71.92	435.60	2.65	-69.27
CC1CC(CNC(=O)C[N@H+](C)C2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409082	0	55	0.0	-68.24	438.49	3.45	-64.79
CC1CC(CNC(=O)C[N@@H+](C)C2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409082	1	55	0.0	-67.68	438.36	3.45	-64.23
CC1CC(CNC(=O)C2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409088	0	55	0.0	-70.91	436.82	3.12	-67.79
CC1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409101	0	52	0.0	-67.32	416.45	2.44	-64.88
CC1CC(CNC(=O)[C@H]2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409101	1	52	0.0	-67.75	412.32	2.00	-65.75
CC1CC(CNC(=O)C2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409144	0	55	0.0	-65.93	434.25	3.06	-62.87
CC1CC(CNC(=O)C2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409144	1	55	0.0	-66.12	433.20	2.97	-63.15
CC1CC(CNC(=O)C2CC[N@H+](C)C2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409173	0	55	0.0	-68.44	434.48	2.92	-65.52
CC1CC(CNC(=O)C2CC[N@@H+](C)C2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409173	1	55	0.0	-69.36	430.20	2.59	-66.77
C[C@@H](C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024409214	0	51	0.0	-67.98	410.88	1.80	-66.18
CC1CC(CNC(=O)CC[NH+]2CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409232	0	55	0.0	-70.81	440.37	3.08	-67.73
CC1CC(CNC(=O)C[N@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409237	1	52	0.0	-70.56	420.34	-1.10	-71.66
CC1CC(CNC(=O)C[N@@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409237	1	52	0.0	-69.63	420.12	-1.12	-70.75
CC1C[NH+](CC(=O)NCC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024409280	1	52	0.0	-70.61	422.50	2.46	-68.15
CC[N@H+](C)CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024409312	0	51	0.0	-69.34	409.99	2.14	-67.20
CC[N@@H+](C)CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024409312	1	51	0.0	-69.46	409.99	2.13	-67.33
CC(CCC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024409365	0	57	0.0	-70.93	445.89	3.18	-67.75
CC[N@H+](CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024409370	0	55	0.0	-66.88	441.37	3.44	-63.44
CC[N@@H+](CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024409370	1	55	0.0	-66.55	437.57	3.16	-63.39
CC1CC(CNC(=O)C23CC(C2)C[N@@H+]3C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409383	0	53	0.0	-69.66	423.34	2.52	-67.14
CC1CC(CNC(=O)C23CC(C2)C[N@H+]3C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409383	1	53	0.0	-68.83	423.30	2.68	-66.15
CC(C[NH+](C)C)C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024409392	0	54	0.0	-65.33	430.45	2.81	-62.52
CC1CC(CNC(=O)C2([NH+](C)C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409398	0	52	0.0	-70.34	414.95	2.81	-67.53
C[C@H](C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024409408	0	51	0.0	-67.65	410.42	1.86	-65.79
CC[N@@H+]1CCC1C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024409411	1	52	0.0	-67.50	415.86	2.02	-65.48
CC[N@H+]1CCC1C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024409411	1	52	0.0	-68.70	424.19	2.41	-66.29
CC1CC(CNC(=O)C2=C[NH+]=CC=C2N)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409422	0	48	0.0	-69.52	401.24	-0.09	-69.61
CCCC(C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024409426	0	57	0.0	-69.95	446.89	3.32	-66.63
CC1CC(CNC(=O)C(C)(C)[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409429	0	54	0.0	-72.57	420.47	2.52	-70.05
CC(CC[NH+](C)C)C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024409438	0	57	0.0	-70.93	452.81	3.30	-67.63
CC1CC(CNC(=O)C[NH+]2CC3CC3C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409497	0	53	0.0	-69.36	426.79	3.31	-66.05
CC1CC(CNC(=O)C2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409505	0	55	0.0	-65.93	434.25	3.06	-62.87
CC1CC(CNC(=O)C2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409505	1	55	0.0	-66.12	433.20	2.97	-63.15
CC1CC(CNC(=O)C=C2CC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409530	0	53	0.0	-72.97	430.44	3.05	-69.92
CC1CC(CNC(=O)C=C2CC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409530	1	53	0.0	-73.28	430.41	2.97	-70.31
CC1CC(CNC(=O)CN=[N+]=[N-])CN1C(=O)CSC1=NC(=O)NN1	REAL300024409537	0	42	0.0	-24.17	369.21	-2.95	-27.12
CCC1C[NH+](CC(=O)NCC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024409553	1	55	0.0	-70.87	445.41	3.26	-67.61
CC1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409558	0	52	0.0	-69.69	412.56	2.03	-67.66
CC1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409558	1	52	0.0	-66.77	418.20	2.48	-64.29
CC1CC(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409598	0	55	0.0	-68.54	441.93	3.20	-65.34
CC1CC(CNC(=O)C[NH+]2CCCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409639	0	55	0.0	-69.08	434.35	3.35	-65.73
CC1CC(CNC(=O)C2CCC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409640	0	55	0.0	-65.76	429.43	3.23	-62.53
CC1CC(CNC(=O)C2CCC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409640	1	55	0.0	-70.01	436.83	3.07	-66.94
CC1CC(CNC(=O)C[N+]2=CN(C)C=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409641	0	50	0.0	-68.71	424.01	4.93	-63.78
CC1CC(CNC(=O)C[N@H+](C)C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409651	0	52	0.0	-67.84	422.18	2.81	-65.03
CC1CC(CNC(=O)C[N@@H+](C)C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409651	1	52	0.0	-67.67	422.04	2.81	-64.86
CC(CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024409659	0	57	0.0	-71.46	449.36	3.45	-68.01
CC1CC(CNC(=O)CC2C[NH+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409708	0	52	0.0	-69.85	423.69	2.29	-67.56
CC1CC(CNC(=O)C[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409715	0	48	0.0	-70.13	392.25	1.46	-68.67
C[C@@H](C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024409723	0	51	0.0	-67.98	410.88	1.80	-66.18
CC(C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024409737	1	55	0.0	-67.22	441.45	3.15	-64.07
CC1CC[N@@H+]1CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024409738	1	52	0.0	-67.49	418.06	2.28	-65.21
CC1CC[N@H+]1CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024409738	1	52	0.0	-68.55	424.10	2.48	-66.07
CC1CC(CNC(=O)C=CC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409740	0	52	0.0	-72.94	430.00	2.66	-70.28
CC1CC(CNC(=O)C[NH+]2CC(C)(C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409744	1	55	0.0	-69.61	442.85	3.08	-66.53
CC[NH+](CC)CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024409757	0	54	0.0	-68.23	428.35	2.83	-65.40
CC1CC(CNC(=O)C[NH+]2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409762	1	49	0.0	-70.24	402.87	1.85	-68.39
CC[NH+](CC)CCC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024409780	0	57	0.0	-69.90	445.85	3.10	-66.80
CC(C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024409808	1	52	0.0	-67.43	420.45	2.52	-64.91
CC1CC(CNC(=O)C(C)(C)C[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409812	0	57	0.0	-68.26	440.31	3.10	-65.16
CC1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409832	0	55	0.0	-68.09	434.74	3.00	-65.09
CC1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409832	1	55	0.0	-67.25	425.33	2.86	-64.39
C=CCC(C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024409851	0	55	0.0	-69.19	439.39	3.08	-66.11
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CSC(N)=[NH2+]	REAL300024409874	0	46	0.0	-71.36	401.01	-1.72	-73.08
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024409924	0	52	0.0	-68.02	411.36	1.87	-66.15
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300024409924	1	52	0.0	-65.96	412.76	2.18	-63.78
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCCCC1	REAL300024409931	0	55	0.0	-69.02	434.49	3.22	-65.80
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[N@H+](C)C1C	REAL300024409934	0	55	0.0	-70.02	429.34	2.31	-67.71
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[N@@H+](C)C1C	REAL300024409934	1	55	0.0	-69.53	433.51	2.57	-66.96
C[N@@H+]1CCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410134	0	52	0.0	-73.06	412.11	0.95	-72.11
C[N@H+]1CCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410134	1	52	0.0	-71.05	418.17	1.44	-69.61
C[N@@H+]1CCOC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410158	1	53	0.0	-80.01	422.35	0.69	-79.32
C[N@H+]1CCOC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410158	1	53	0.0	-77.11	422.39	0.67	-76.44
CC1=[NH+]C=CN1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410297	1	50	0.0	-71.35	421.53	2.02	-69.33
C[C@@H]1[C@H](C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024410315	0	55	0.0	-76.43	429.65	1.61	-74.82
C[C@@H]1[C@H](C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024410315	1	55	0.0	-74.66	434.17	1.89	-72.77
C[NH+](C)C1(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024410335	0	55	0.0	-69.87	425.50	2.02	-67.85
CC(C)[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024410337	0	57	0.0	-72.57	442.07	2.58	-69.99
C[N@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024410346	0	55	0.0	-65.00	433.89	2.81	-62.19
C[N@@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024410346	1	55	0.0	-71.47	433.79	2.80	-68.67
C[NH+]1CCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024410370	0	55	0.0	-79.30	436.69	2.06	-77.24
C[N@@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410376	0	55	0.0	-64.86	420.33	2.24	-62.62
C[N@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410376	1	55	0.0	-64.18	429.62	2.43	-61.75
CC1=C[NH+]=CN1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410393	1	50	0.0	-66.83	416.38	3.13	-63.70
C[N@@H+]1CCC(CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410403	0	55	0.0	-76.05	438.91	1.96	-74.09
C[N@H+]1CCC(CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410403	1	55	0.0	-75.52	433.99	2.41	-73.11
CCC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024410406	0	54	0.0	-71.29	422.52	1.40	-69.89
C[NH+](C)CCCCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410420	0	57	0.0	-75.07	453.04	2.95	-72.12
CC(C)C(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024410423	0	57	0.0	-71.75	439.44	2.62	-69.13
CCC[N@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410424	0	57	0.0	-68.85	449.27	2.78	-66.07
CCC[N@@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410424	1	57	0.0	-76.74	453.69	2.35	-74.39
CCC[N@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410425	0	54	0.0	-66.96	426.90	2.23	-64.73
CCC[N@@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410425	1	54	0.0	-74.55	431.33	1.82	-72.73
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410440	0	52	0.0	-66.01	407.68	1.38	-64.63
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410440	1	52	0.0	-64.24	414.01	1.89	-62.35
CC[NH+](CC)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410452	0	54	0.0	-71.44	423.77	2.19	-69.25
C[NH+](C)CC1(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024410506	0	55	0.0	-78.50	442.71	2.09	-76.41
C[NH+]1CCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024410528	0	55	0.0	-79.30	436.69	2.06	-77.24
CC(C)[C@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024410543	0	57	0.0	-70.76	436.91	2.95	-67.81
CC[N@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410570	0	54	0.0	-74.35	427.77	2.03	-72.32
CC[N@@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410570	1	54	0.0	-75.93	432.20	1.60	-74.33
CC1CCC[N@@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410580	0	55	0.0	-63.78	426.33	2.20	-61.58
CC1CCC[N@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410580	1	55	0.0	-71.18	430.79	1.77	-69.41
CC1CC[N@H+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410581	0	55	0.0	-73.96	437.46	2.15	-71.81
CC1CC[N@@H+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410581	1	55	0.0	-72.35	433.02	2.51	-69.84
CC[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024410583	0	54	0.0	-71.30	422.52	1.40	-69.90
C[NH+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410619	0	48	0.0	-73.56	387.67	0.82	-72.74
CN1C=C[N+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024410620	0	50	0.0	-65.33	418.91	4.33	-61.00
C[N@@H+]1CCCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410623	0	55	0.0	-68.42	430.44	2.24	-66.18
C[N@H+]1CCCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410623	1	55	0.0	-75.09	436.68	2.02	-73.07
CC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024410630	1	52	0.0	-64.58	415.43	1.86	-62.72
C[NH+](C)CC(C)(C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410633	0	57	0.0	-71.12	439.63	2.10	-69.02
C[N@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024410640	0	52	0.0	-71.49	421.37	1.81	-69.68
C[N@@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024410640	1	52	0.0	-70.97	417.08	2.23	-68.74
C[NH+]1CC(CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410651	0	52	0.0	-73.68	419.12	1.64	-72.04
C[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024410663	0	51	0.0	-71.97	405.78	1.23	-70.74
[N-]=[N+]=NCC(=O)NC1CCCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024410670	0	42	0.0	-25.91	369.07	-4.00	-29.91
C[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024410701	0	51	0.0	-71.97	405.78	1.23	-70.74
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410704	0	55	0.0	-64.83	420.32	2.24	-62.59
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410704	1	55	0.0	-70.68	434.05	2.00	-68.68
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C[NH+]2CCC2)C1	REAL300024410731	1	49	0.0	-73.40	397.97	1.30	-72.10
C[N@@H+]1CCC(=CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410740	0	53	0.0	-77.59	430.97	1.94	-75.65
C[N@H+]1CCC(=CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410740	1	53	0.0	-77.59	430.95	1.95	-75.64
C[C@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024410758	0	51	0.0	-71.35	405.81	1.25	-70.10
CC1C[NH+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410774	1	52	0.0	-73.31	418.94	1.92	-71.39
C[N@H+](CCO)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410787	1	52	0.0	-74.01	415.76	-1.75	-75.76
C[N@@H+](CCO)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410787	1	52	0.0	-75.04	419.97	-2.18	-77.22
CC(CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024410799	0	57	0.0	-78.09	444.79	2.81	-75.28
CC[N@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410801	0	51	0.0	-66.52	405.41	1.50	-65.02
CC[N@@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410801	1	51	0.0	-72.91	405.41	1.49	-71.42
CC[N@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024410811	0	55	0.0	-64.12	434.03	2.81	-61.31
CC[N@@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024410811	1	55	0.0	-70.51	434.04	2.81	-67.70
CC[NH+](CC)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410817	0	57	0.0	-73.54	445.63	2.73	-70.81
CC1(C)C[NH+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024410825	1	55	0.0	-73.53	438.07	2.39	-71.14
C[NH+](C)CC=CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410832	0	52	0.0	-77.11	424.90	2.09	-75.02
CC(CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024410849	0	57	0.0	-72.17	445.03	2.57	-69.60
CC[N@@H+]1CCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410853	1	52	0.0	-73.81	423.75	1.37	-72.44
CC[N@H+]1CCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410853	1	52	0.0	-73.65	423.74	1.42	-72.23
C=CCC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024410874	0	55	0.0	-70.67	435.77	1.89	-68.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C[NH+]2CC3CC3C2)C1	REAL300024410882	0	53	0.0	-74.72	427.44	2.28	-72.44
CCCC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024410887	0	57	0.0	-72.00	444.02	2.17	-69.83
C[NH+](C)C(C)(C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410889	0	54	0.0	-78.29	419.29	1.57	-76.72
C[N@@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410899	0	55	0.0	-64.86	420.33	2.24	-62.62
C[N@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410899	1	55	0.0	-64.18	429.62	2.43	-61.75
C[NH+](C)C1(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024410935	0	52	0.0	-75.92	416.18	2.19	-73.73
O=C(CC[NH+]1CCCC1)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410936	0	55	0.0	-67.62	435.53	2.53	-65.09
C[N@@H+]1CC2CC1(C(=O)NC1CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024410946	0	53	0.0	-77.17	419.92	1.98	-75.19
C[N@H+]1CC2CC1(C(=O)NC1CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024410946	1	53	0.0	-77.30	417.85	2.18	-75.12
CC(C[NH+](C)C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024410981	0	54	0.0	-75.53	430.51	1.67	-73.86
CC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024411001	1	55	0.0	-71.14	435.64	2.57	-68.57
CC1CC[N@@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411002	1	52	0.0	-72.30	417.90	1.22	-71.08
CC1CC[N@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411002	1	52	0.0	-73.52	423.48	1.49	-72.03
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024411033	0	55	0.0	-68.43	437.24	2.55	-65.88
CC(CC[NH+](C)C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411034	0	57	0.0	-73.66	447.72	2.71	-70.95
C[N@@H+]1CCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411203	0	52	0.0	-73.06	412.11	0.95	-72.11
C[N@H+]1CCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411203	1	52	0.0	-71.05	418.17	1.44	-69.61
C[N@@H+]1CCOC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024411229	1	53	0.0	-80.01	422.35	0.69	-79.32
C[N@H+]1CCOC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024411229	1	53	0.0	-77.11	422.39	0.67	-76.44
C[N@@H+]1CCC(CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024411379	0	55	0.0	-76.05	438.91	1.96	-74.09
C[N@H+]1CCC(CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024411379	1	55	0.0	-75.52	433.99	2.41	-73.11
CCC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024411382	0	54	0.0	-71.29	422.52	1.40	-69.89
C[NH+](C)CCCCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411392	0	57	0.0	-75.07	453.04	2.95	-72.12
CC(C)C(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024411395	0	57	0.0	-71.75	439.44	2.62	-69.13
CCC[N@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411396	0	57	0.0	-68.85	449.27	2.78	-66.07
CCC[N@@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411396	1	57	0.0	-76.74	453.69	2.35	-74.39
CCC[N@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411397	0	54	0.0	-66.96	426.90	2.23	-64.73
CCC[N@@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411397	1	54	0.0	-74.55	431.33	1.82	-72.73
C[NH+](C)CC1(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024411436	0	55	0.0	-78.50	442.71	2.09	-76.41
CC[N@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411442	0	54	0.0	-74.35	427.77	2.03	-72.32
CC[N@@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411442	1	54	0.0	-75.93	432.20	1.60	-74.33
C[NH+]1CCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024411464	0	55	0.0	-79.30	436.69	2.06	-77.24
CC(C)[C@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024411479	0	57	0.0	-70.76	436.91	2.95	-67.81
C[NH+](C)C1(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024411501	0	55	0.0	-69.87	425.50	2.02	-67.85
CC1CCC[N@@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411525	0	55	0.0	-63.78	426.33	2.20	-61.58
CC1CCC[N@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411525	1	55	0.0	-71.18	430.79	1.77	-69.41
CC(C)[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024411536	0	57	0.0	-72.57	442.07	2.58	-69.99
CC1CC[N@H+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024411544	0	55	0.0	-73.96	437.46	2.15	-71.81
CC1CC[N@@H+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024411544	1	55	0.0	-72.35	433.02	2.51	-69.84
CC[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024411546	0	54	0.0	-71.30	422.52	1.40	-69.90
CC1=[NH+]C=CN1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411583	1	50	0.0	-71.35	421.53	2.02	-69.33
CC1=C[NH+]=CN1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411601	1	50	0.0	-66.83	416.38	3.13	-63.70
C[C@@H]1[C@H](C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024411602	0	55	0.0	-76.43	429.65	1.61	-74.82
C[C@@H]1[C@H](C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024411602	1	55	0.0	-74.66	434.17	1.89	-72.77
C[N@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024411632	0	55	0.0	-65.00	433.89	2.81	-62.19
C[N@@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024411632	1	55	0.0	-71.47	433.79	2.80	-68.67
C[NH+]1CCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024411638	0	55	0.0	-79.30	436.69	2.06	-77.24
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411651	0	52	0.0	-66.01	407.68	1.38	-64.63
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411651	1	52	0.0	-64.24	414.01	1.89	-62.35
C[N@@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411694	0	55	0.0	-64.86	420.33	2.24	-62.62
C[N@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411694	1	55	0.0	-64.18	429.62	2.43	-61.75
CC1C(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024411723	0	55	0.0	-73.82	433.40	1.61	-72.21
CC1C(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024411723	1	55	0.0	-71.38	433.53	2.41	-68.97
C[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024411764	0	51	0.0	-71.97	405.78	1.23	-70.74
O=C(CC[NH+]1CCCC1)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411782	0	55	0.0	-67.62	435.53	2.53	-65.09
C[N@H+](CCO)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411787	1	52	0.0	-74.01	415.76	-1.75	-75.76
C[N@@H+](CCO)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411787	1	52	0.0	-75.04	419.97	-2.18	-77.22
CC1C[NH+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024411830	1	52	0.0	-73.31	418.94	1.92	-71.39
CC[N@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411862	0	51	0.0	-66.52	405.41	1.50	-65.02
CC[N@@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411862	1	51	0.0	-72.91	405.41	1.49	-71.42
CC(CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024411915	0	57	0.0	-72.17	445.03	2.57	-69.60
CC[N@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024411920	0	55	0.0	-64.12	434.03	2.81	-61.31
CC[N@@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024411920	1	55	0.0	-70.51	434.04	2.81	-67.70
C[N@@H+]1CC2CC1(C(=O)NC1CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024411933	0	53	0.0	-77.17	419.92	1.98	-75.19
C[N@H+]1CC2CC1(C(=O)NC1CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024411933	1	53	0.0	-77.30	417.85	2.18	-75.12
CC(C[NH+](C)C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411942	0	54	0.0	-75.53	430.51	1.67	-73.86
C[NH+](C)C1(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024411948	0	52	0.0	-75.92	416.18	2.19	-73.73
C[C@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024411958	0	51	0.0	-71.35	405.81	1.25	-70.10
CC[N@@H+]1CCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411961	1	52	0.0	-73.81	423.75	1.37	-72.44
CC[N@H+]1CCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411961	1	52	0.0	-73.65	423.74	1.42	-72.23
NC1=CC=[NH+]C=C1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411972	0	48	0.0	-76.60	400.57	-1.10	-77.70
CCCC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024411976	0	57	0.0	-72.00	444.02	2.17	-69.83
C[NH+](C)C(C)(C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411979	0	54	0.0	-78.29	419.29	1.57	-76.72
CC(CC[NH+](C)C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024411988	0	57	0.0	-73.66	447.72	2.71	-70.95
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C[NH+]2CC3CC3C2)C1	REAL300024412047	0	53	0.0	-74.72	427.44	2.28	-72.44
C[N@@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412055	0	55	0.0	-64.86	420.33	2.24	-62.62
C[N@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412055	1	55	0.0	-64.18	429.62	2.43	-61.75
C[N@@H+]1CCC(=CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024412080	0	53	0.0	-77.59	430.97	1.94	-75.65
C[N@H+]1CCC(=CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024412080	1	53	0.0	-77.59	430.95	1.95	-75.64
[N-]=[N+]=NCC(=O)NC1CCCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024412087	0	42	0.0	-25.91	369.07	-4.00	-29.91
CCC1C[NH+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024412103	1	55	0.0	-67.71	440.13	2.63	-65.08
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412108	0	52	0.0	-63.74	413.36	1.79	-61.95
C[N@H+]1CCC[C@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412108	1	52	0.0	-65.66	407.67	1.38	-64.28
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024412148	0	55	0.0	-68.43	437.24	2.55	-65.88
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C[NH+]2CCCCC2)C1	REAL300024412189	0	55	0.0	-72.96	429.39	2.69	-70.27
C[N@@H+]1CCCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024412190	0	55	0.0	-68.42	430.44	2.24	-66.18
C[N@H+]1CCCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024412190	1	55	0.0	-75.09	436.68	2.02	-73.07
CN1C=C[N+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024412191	0	50	0.0	-65.33	418.91	4.33	-61.00
C[N@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024412201	0	52	0.0	-71.49	421.37	1.81	-69.68
C[N@@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024412201	1	52	0.0	-70.97	417.08	2.23	-68.74
CC(CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024412209	0	57	0.0	-78.09	444.79	2.81	-75.28
C[NH+]1CC(CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024412258	0	52	0.0	-73.68	419.12	1.64	-72.04
C[NH+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412265	0	48	0.0	-73.56	387.67	0.82	-72.74
C[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024412273	0	51	0.0	-71.97	405.78	1.23	-70.74
CC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024412287	1	55	0.0	-71.14	435.64	2.57	-68.57
CC1CC[N@@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412288	1	52	0.0	-72.30	417.90	1.22	-71.08
CC1CC[N@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412288	1	52	0.0	-73.52	423.48	1.49	-72.03
C[NH+](C)CC=CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412290	0	52	0.0	-77.11	424.90	2.09	-75.02
CC1(C)C[NH+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024412294	1	55	0.0	-73.53	438.07	2.39	-71.14
CC[NH+](CC)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412307	0	54	0.0	-71.44	423.77	2.19	-69.25
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C[NH+]2CCC2)C1	REAL300024412312	1	49	0.0	-73.40	397.97	1.30	-72.10
CC[NH+](CC)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412330	0	57	0.0	-73.54	445.63	2.73	-70.81
CC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024412358	1	52	0.0	-64.58	415.43	1.86	-62.72
C[NH+](C)CC(C)(C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412362	0	57	0.0	-71.12	439.63	2.10	-69.02
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412382	0	55	0.0	-64.83	420.32	2.24	-62.59
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412382	1	55	0.0	-70.68	434.05	2.00	-68.68
C=CCC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024412401	0	55	0.0	-70.67	435.77	1.89	-68.78
NC(=[NH2+])SCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412424	0	46	0.0	-76.63	400.63	-2.74	-79.37
CCC1C[NH+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024412479	1	55	0.0	-67.71	440.13	2.63	-65.08
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412483	0	52	0.0	-63.74	413.36	1.79	-61.95
C[N@H+]1CCC[C@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024412483	1	52	0.0	-65.66	407.67	1.38	-64.28
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C[NH+]2CCCCC2)C1	REAL300024412490	0	55	0.0	-72.96	429.39	2.69	-70.27
CC1C(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024412494	0	55	0.0	-73.82	433.40	1.61	-72.21
CC1C(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024412494	1	55	0.0	-71.38	433.53	2.41	-68.97
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412645	0	53	0.0	-70.86	418.56	3.74	-67.12
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412645	1	53	0.0	-71.07	414.59	3.39	-67.68
CCC(C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024412748	0	55	0.0	-63.75	425.18	3.98	-59.77
CCC[N@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412753	0	55	0.0	-74.17	433.63	4.28	-69.89
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412753	1	55	0.0	-73.30	435.05	4.32	-68.98
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412761	0	53	0.0	-71.01	414.88	3.40	-67.61
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412761	1	53	0.0	-71.46	419.17	3.85	-67.61
CC[NH+](CC)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412766	0	55	0.0	-64.17	425.91	3.95	-60.22
CC[N@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412824	0	55	0.0	-76.90	435.92	4.14	-72.76
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412824	1	55	0.0	-67.81	434.40	4.11	-63.70
CC[C@@H](C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024412827	0	55	0.0	-71.24	424.22	3.86	-67.38
C[NH+](C)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412845	0	49	0.0	-66.49	394.32	2.88	-63.61
CC(C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300024412849	1	53	0.0	-72.00	416.62	3.52	-68.48
C[N@H+](CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024412856	0	53	0.0	-63.05	423.60	4.29	-58.76
C[N@@H+](CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024412856	1	53	0.0	-70.97	425.24	4.33	-66.64
C[NH+]1CC(CC(=O)N2CC3(C2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024412862	0	53	0.0	-69.01	425.61	3.71	-65.30
C[C@@H](C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024412869	0	52	0.0	-73.66	411.70	3.23	-70.43
[N-]=[N+]=NCC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300024412872	0	43	0.0	-27.81	372.79	-1.49	-29.30
C[C@@H](C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024412891	0	52	0.0	-73.66	411.70	3.23	-70.43
O=C(C[NH+]1CCC1)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412909	1	50	0.0	-74.89	404.60	3.34	-71.55
C[C@H](C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024412920	0	52	0.0	-71.42	413.44	3.29	-68.13
CC1C[NH+](CC(=O)N2CC3(C2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024412927	1	53	0.0	-73.84	425.83	4.04	-69.80
C[N@H+](CCO)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412938	1	53	0.0	-74.88	423.91	0.34	-74.54
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412938	1	53	0.0	-74.68	422.27	0.30	-74.38
CC[N@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412945	0	52	0.0	-73.00	413.55	3.58	-69.42
CC[N@@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412945	1	52	0.0	-73.93	412.13	3.52	-70.41
C[NH+](C)CC=CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412963	0	53	0.0	-72.09	431.28	4.11	-67.98
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412969	1	53	0.0	-74.30	427.44	3.88	-70.42
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412969	1	53	0.0	-58.87	419.19	3.50	-55.37
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024412983	0	55	0.0	-66.49	412.08	3.77	-62.72
C[NH+](C)C1(C(=O)N2CC3(C2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024413006	0	53	0.0	-78.77	417.20	3.58	-75.19
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024413028	0	55	0.0	-68.36	430.07	3.92	-64.44
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024413039	1	53	0.0	-71.60	421.33	3.72	-67.88
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024413039	1	53	0.0	-72.05	420.30	3.70	-68.35
C[N@@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413154	0	53	0.0	-69.66	416.08	3.56	-66.10
C[N@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413154	1	53	0.0	-71.71	416.07	3.61	-68.10
CCC(C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024413228	0	55	0.0	-71.22	424.27	3.82	-67.40
CCC[N@H+](C)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413232	0	55	0.0	-74.08	433.49	4.19	-69.89
CCC[N@@H+](C)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413232	1	55	0.0	-73.94	433.48	4.20	-69.74
CC[N@H+](C)CCC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413249	0	55	0.0	-74.98	434.41	4.07	-70.91
CC[N@@H+](C)CCC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413249	1	55	0.0	-75.10	434.41	4.08	-71.02
CC[C@@H](C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024413290	0	55	0.0	-71.04	418.45	3.60	-67.44
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413336	0	53	0.0	-71.04	414.04	3.37	-67.67
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413336	1	53	0.0	-70.84	415.82	3.61	-67.23
C[C@@H](C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024413391	0	52	0.0	-72.10	412.28	3.23	-68.87
C[N@H+](CCO)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413401	1	53	0.0	-74.02	422.34	0.22	-73.80
C[N@@H+](CCO)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413401	1	53	0.0	-74.35	422.08	0.24	-74.11
CC1C[NH+](CC(=O)N2CCCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024413417	1	53	0.0	-74.37	425.53	3.96	-70.41
CC[N@H+](C)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413435	0	52	0.0	-73.09	413.34	3.51	-69.58
CC[N@@H+](C)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413435	1	52	0.0	-73.63	411.99	3.46	-70.17
CC(C[NH+](C)C)C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413468	0	55	0.0	-77.81	432.23	3.97	-73.84
C[NH+](C)C1(C(=O)N2CCCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300024413471	0	53	0.0	-78.67	418.84	3.51	-75.16
C[C@H](C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024413475	0	52	0.0	-71.85	409.60	3.12	-68.73
CC[N@@H+]1CCC1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413478	1	53	0.0	-73.42	416.00	3.36	-70.06
CC[N@H+]1CCC1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413478	1	53	0.0	-73.47	426.55	3.81	-69.66
C[NH+](C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413487	0	55	0.0	-79.44	410.79	3.41	-76.03
[N-]=[N+]=NCC(=O)N1CCCC2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300024413536	0	43	0.0	-24.83	371.25	-1.61	-26.44
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413549	0	53	0.0	-58.19	420.87	3.72	-54.47
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413549	1	53	0.0	-71.58	412.82	3.33	-68.25
C[N@H+](CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300024413586	0	53	0.0	-71.04	423.58	4.21	-66.83
C[N@@H+](CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300024413586	1	53	0.0	-70.71	423.50	4.19	-66.52
C[NH+]1CC(CC(=O)N2CCCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024413614	0	53	0.0	-73.47	425.54	3.66	-69.81
C[NH+](C)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413617	0	49	0.0	-75.19	394.28	2.79	-72.40
C[C@@H](C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024413620	0	52	0.0	-72.10	412.28	3.23	-68.87
CC1CC[N@@H+]1CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413629	1	53	0.0	-72.71	425.53	3.90	-68.81
CC1CC[N@H+]1CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413629	1	53	0.0	-72.25	420.30	3.61	-68.64
C[NH+](C)CC=CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413630	0	53	0.0	-79.33	429.15	4.03	-75.30
CC[NH+](CC)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024413636	0	55	0.0	-73.11	425.86	3.86	-69.25
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C[NH+]1CCC1)C2	REAL300024413637	1	50	0.0	-73.91	405.83	3.28	-70.63
CC(C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300024413660	1	53	0.0	-72.73	413.82	3.49	-69.24
NC(=[NH2+])SCC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024413700	0	47	0.0	-67.40	402.24	-0.16	-67.56
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024413732	0	53	0.0	-71.41	418.60	3.82	-67.59
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024413732	1	53	0.0	-58.08	414.47	3.39	-54.69
C[NH+](C)CC(=O)N1C[C@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024413855	0	52	0.0	-73.42	409.17	2.84	-70.58
C[C@@H](C(=O)N1C[C@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)[NH+](C)C	REAL300024413860	0	55	0.0	-72.91	424.49	3.22	-69.69
C[C@]12CN(C(=O)CN=[N+]=[N-])C[C@@]1(C)CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300024413863	0	46	0.0	-24.75	384.83	-1.52	-26.27
C[C@@H](C(=O)N1C[C@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)[NH+](C)C	REAL300024413873	0	55	0.0	-72.91	424.49	3.22	-69.69
C[C@@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]1(C)CN(C(=O)C[NH+]1CCC1)C2	REAL300024413881	1	53	0.0	-62.74	419.14	3.32	-59.42
C[C@H](C(=O)N1C[C@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)[NH+](C)C	REAL300024413886	0	55	0.0	-72.85	424.70	3.19	-69.66
CC[N@H+](C)CC(=O)N1C[C@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024413898	0	55	0.0	-74.38	425.72	3.54	-70.84
CC[N@@H+](C)CC(=O)N1C[C@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024413898	1	55	0.0	-74.78	425.74	3.56	-71.22
C[C@@H](C(=O)N1C[C@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)[NH+](C)C	REAL300024414044	0	55	0.0	-72.91	424.49	3.22	-69.69
CC[N@H+](C)CC(=O)N1C[C@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024414063	0	55	0.0	-74.38	425.72	3.54	-70.84
CC[N@@H+](C)CC(=O)N1C[C@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024414063	1	55	0.0	-74.78	425.74	3.56	-71.22
C[C@H](C(=O)N1C[C@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)[NH+](C)C	REAL300024414076	0	55	0.0	-72.85	424.70	3.19	-69.66
C[C@]12CN(C(=O)CN=[N+]=[N-])C[C@@]1(C)CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300024414101	0	46	0.0	-24.75	384.83	-1.52	-26.27
C[NH+](C)CC(=O)N1C[C@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024414132	0	52	0.0	-73.42	409.17	2.84	-70.58
C[C@@H](C(=O)N1C[C@]2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)[NH+](C)C	REAL300024414135	0	55	0.0	-72.91	424.49	3.22	-69.69
C[C@@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]1(C)CN(C(=O)C[NH+]1CCC1)C2	REAL300024414142	1	53	0.0	-62.74	419.14	3.32	-59.42
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414369	0	49	0.0	-72.20	398.22	0.35	-71.85
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414369	1	49	0.0	-70.23	404.59	0.87	-69.36
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024414393	1	50	0.0	-84.53	415.64	0.26	-84.27
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024414393	1	50	0.0	-83.99	415.67	0.26	-83.73
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414537	0	55	0.0	-68.58	437.25	1.91	-66.67
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414537	1	55	0.0	-68.24	439.92	2.02	-66.22
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414560	1	47	0.0	-70.18	407.77	1.41	-68.77
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024414580	0	53	0.0	-79.25	419.54	1.57	-77.68
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024414608	0	52	0.0	-74.26	416.06	0.99	-73.27
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024414608	1	52	0.0	-75.53	421.34	1.08	-74.45
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024414610	0	55	0.0	-74.67	435.34	1.48	-73.19
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024414610	1	55	0.0	-74.76	440.86	1.89	-72.87
CC[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024414615	1	53	0.0	-76.04	426.33	0.74	-75.30
CC[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024414615	1	53	0.0	-82.72	433.47	0.90	-81.82
CC1CCC(C)[NH+]1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414660	0	55	0.0	-70.15	437.10	1.85	-68.30
O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414662	0	55	0.0	-73.98	447.09	2.28	-71.70
O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414665	0	55	0.0	-74.40	442.28	2.23	-72.17
CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414668	0	55	0.0	-69.33	438.04	2.05	-67.28
CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414668	1	55	0.0	-69.79	428.62	1.88	-67.91
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024414678	0	52	0.0	-68.77	411.69	1.43	-67.34
CC(C)[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024414684	0	54	0.0	-71.76	427.44	2.00	-69.76
C[N@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024414702	0	52	0.0	-71.53	424.42	1.78	-69.75
C[N@@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024414702	1	52	0.0	-71.65	424.39	1.79	-69.86
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414756	1	51	0.0	-70.98	424.87	1.57	-69.41
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414756	1	51	0.0	-70.92	430.80	2.08	-68.84
C[N@@H+]1CCCC1CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414761	0	55	0.0	-72.69	440.23	1.83	-70.86
C[N@H+]1CCCC1CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414761	1	55	0.0	-72.66	440.31	1.83	-70.83
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024414777	0	52	0.0	-77.67	422.87	1.48	-76.19
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414804	0	52	0.0	-70.75	410.91	1.23	-69.52
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414804	1	52	0.0	-70.42	420.24	1.40	-69.02
O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414857	1	53	0.0	-77.79	433.53	-0.19	-77.98
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414869	1	47	0.0	-73.09	408.03	2.14	-70.95
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024414885	0	53	0.0	-74.71	423.12	1.80	-72.91
C[N@@H+]1CCC(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024414890	0	52	0.0	-76.19	424.90	1.40	-74.79
C[N@H+]1CCC(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024414890	1	52	0.0	-75.63	424.60	1.41	-74.22
CCC(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024414896	0	51	0.0	-71.19	412.02	1.42	-69.77
C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414943	0	54	0.0	-75.74	443.69	1.94	-73.80
CC(C)C(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024414954	0	54	0.0	-71.72	427.33	2.02	-69.70
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414955	0	54	0.0	-75.63	439.94	1.75	-73.88
CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414955	1	54	0.0	-75.63	439.86	1.76	-73.87
CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414958	0	51	0.0	-73.58	417.57	1.21	-72.37
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414958	1	51	0.0	-73.55	417.51	1.22	-72.33
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024414971	0	53	0.0	-78.37	420.27	1.02	-77.35
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024414971	1	53	0.0	-74.08	420.12	1.05	-73.03
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414993	0	49	0.0	-72.22	398.23	0.35	-71.87
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024414993	1	49	0.0	-70.01	404.35	0.85	-69.16
CC[NH+](CC)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415020	0	51	0.0	-71.63	414.37	1.16	-70.47
CC1CC[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024415073	0	55	0.0	-73.87	440.90	2.28	-71.59
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024415091	0	52	0.0	-76.06	430.12	1.55	-74.51
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024415137	0	52	0.0	-77.67	422.87	1.48	-76.19
CC(C)[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024415152	0	54	0.0	-71.18	427.47	1.93	-69.25
CCC(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024415179	0	57	0.0	-67.15	444.50	2.10	-65.05
CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415209	0	51	0.0	-74.90	418.37	1.01	-73.89
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415209	1	51	0.0	-74.83	418.42	1.01	-73.82
CC1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415232	0	52	0.0	-70.07	416.98	1.19	-68.88
CC1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415232	1	52	0.0	-70.72	423.54	1.57	-69.15
CC1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415233	0	52	0.0	-72.61	424.49	1.45	-71.16
CC1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415233	1	52	0.0	-72.81	424.32	1.53	-71.28
CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415235	0	55	0.0	-72.77	443.29	2.05	-70.72
CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415235	1	55	0.0	-72.78	443.32	2.05	-70.73
C[N@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024415236	0	57	0.0	-73.44	447.90	2.29	-71.15
C[N@@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024415236	1	57	0.0	-73.33	448.46	2.38	-70.95
CC[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024415243	0	51	0.0	-70.56	408.50	0.82	-69.74
C[NH+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415315	0	45	0.0	-73.84	378.27	-0.20	-74.04
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[NH+]2CCCCCC2)C1	REAL300024415318	0	55	0.0	-72.73	429.28	1.84	-70.89
CN1C=C[N+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024415321	0	47	0.0	-71.26	409.50	3.31	-67.95
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415325	0	52	0.0	-73.76	422.88	1.42	-72.34
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415325	1	52	0.0	-67.53	416.59	1.64	-65.89
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024415330	0	53	0.0	-68.37	435.75	2.32	-66.05
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024415330	1	53	0.0	-71.41	428.80	1.67	-69.74
CC(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024415342	1	49	0.0	-70.98	406.47	0.88	-70.10
CCC(CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024415346	0	57	0.0	-78.34	453.11	2.42	-75.92
C[NH+](C)CC(C)(C)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415351	0	54	0.0	-70.90	426.10	1.59	-69.31
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(O)CC2)C1	REAL300024415362	1	53	0.0	-77.94	431.15	-1.69	-79.63
C[N@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024415363	0	49	0.0	-70.53	407.53	1.21	-69.32
C[N@@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024415363	1	49	0.0	-70.63	407.57	1.20	-69.43
C[NH+]1CC(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415377	0	49	0.0	-74.16	409.57	0.63	-73.53
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415387	0	55	0.0	-69.58	423.24	0.87	-68.71
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415387	1	55	0.0	-70.09	424.13	0.93	-69.16
C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024415397	0	48	0.0	-71.73	396.41	0.20	-71.53
[N-]=[N+]=NCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024415404	0	39	0.0	-25.40	355.28	-4.60	-30.00
[NH2+]=C1SC=CN1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415446	0	45	0.0	-69.77	405.33	-0.01	-69.78
C[N@H+](CCO)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415451	0	52	0.0	-74.77	428.78	-2.22	-76.99
C[N@@H+](CCO)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415451	1	52	0.0	-74.21	428.72	-2.20	-76.41
C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024415452	0	48	0.0	-71.73	396.41	0.20	-71.53
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415455	0	52	0.0	-71.09	410.99	1.23	-69.86
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415455	1	52	0.0	-70.45	420.25	1.40	-69.05
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[NH+]2CCC2)C1	REAL300024415500	1	46	0.0	-73.50	388.29	0.26	-73.24
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415514	0	50	0.0	-76.59	417.20	1.33	-75.26
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415514	1	50	0.0	-76.59	416.17	1.38	-75.21
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415534	0	52	0.0	-73.40	434.14	0.85	-72.55
C=CCC(C)(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024415545	0	55	0.0	-67.80	433.03	1.87	-65.93
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415562	0	53	0.0	-79.59	424.70	-2.03	-81.62
CC1CN(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415579	0	49	0.0	-74.05	408.38	0.95	-73.10
CC1C[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415579	1	49	0.0	-74.05	408.38	0.95	-73.10
CN(CCO)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415596	0	49	0.0	-74.18	406.35	-2.77	-76.95
C[N@H+](CCO)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415596	1	49	0.0	-73.81	406.22	-2.77	-76.58
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415596	1	49	0.0	-73.81	406.22	-2.77	-76.58
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415615	0	55	0.0	-66.75	434.35	2.29	-64.46
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415615	1	55	0.0	-66.75	434.35	2.29	-64.46
CC(CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024415617	0	54	0.0	-77.50	435.41	1.78	-75.72
CC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415620	0	48	0.0	-73.18	396.02	0.47	-72.71
CC[N@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024415644	0	52	0.0	-70.94	421.64	1.55	-69.39
CC[NH+](CC)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415652	0	54	0.0	-73.92	436.22	1.72	-72.20
CC1(C)CN(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415666	0	52	0.0	-73.78	428.88	1.42	-72.36
CC1(C)C[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415666	1	52	0.0	-73.78	428.88	1.42	-72.36
CC1(O)CC[N@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024415682	0	53	0.0	-72.50	434.35	-1.78	-74.28
C[NH+](C)CC=CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415685	0	49	0.0	-77.68	415.56	1.05	-76.63
COCCN(C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415698	0	52	0.0	-73.50	428.40	-0.36	-73.86
COCC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415698	1	52	0.0	-74.41	428.61	-0.37	-74.78
COCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415698	1	52	0.0	-74.41	428.61	-0.37	-74.78
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024415715	0	55	0.0	-68.10	426.36	2.12	-65.98
CC(CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024415717	0	54	0.0	-77.02	431.61	1.54	-75.48
CCN1CCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415723	0	49	0.0	-71.15	403.07	0.53	-70.62
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415723	1	49	0.0	-71.75	401.61	0.36	-71.39
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415723	1	49	0.0	-71.75	401.61	0.36	-71.39
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@@H](NC(=O)C[N@H+]2CCCC2CO)C1	REAL300024415733	0	53	0.0	-72.92	431.32	-1.65	-74.57
C[NH+]1CCC(C)(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024415749	0	55	0.0	-72.82	435.52	1.88	-70.94
C=CCC(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024415765	0	52	0.0	-69.98	422.25	1.35	-68.63
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415772	0	55	0.0	-70.10	443.97	2.04	-68.06
C[N@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415772	1	55	0.0	-70.10	443.97	2.04	-68.06
C[NH+](C)CCCCCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415774	0	57	0.0	-75.11	465.20	2.73	-72.38
CCCC(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024415791	0	54	0.0	-72.24	432.38	1.71	-70.53
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415794	0	51	0.0	-76.73	405.74	0.97	-75.76
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415817	0	52	0.0	-70.42	420.24	1.40	-69.02
C[N@H+]1CC=C(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024415836	0	53	0.0	-70.97	437.41	2.12	-68.85
C[N@@H+]1CC=C(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024415836	1	53	0.0	-70.97	437.41	2.12	-68.85
O=C(C=CC[NH+]1CCCC1)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415866	0	53	0.0	-75.97	439.17	2.15	-73.82
O=C(CC[NH+]1CCCC1)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415893	0	52	0.0	-74.36	426.60	1.53	-72.83
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024415918	0	50	0.0	-70.48	409.94	0.94	-69.54
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024415923	0	53	0.0	-70.59	422.50	1.72	-68.87
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024415923	1	53	0.0	-70.59	422.50	1.72	-68.87
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)CN2CC3C=CC2C3)C1	REAL300024415958	0	51	0.0	-69.71	417.31	1.68	-68.03
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024415958	1	51	0.0	-69.99	417.35	1.67	-68.32
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024415958	1	51	0.0	-69.99	417.35	1.67	-68.32
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024415988	0	51	0.0	-74.47	416.68	1.08	-73.39
C[N@@H+]1CCCCC1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416027	0	55	0.0	-75.82	437.54	1.99	-73.83
C[N@H+]1CCCCC1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416027	1	55	0.0	-75.82	437.54	1.99	-73.83
CC1CCN1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416038	0	49	0.0	-71.33	404.11	0.61	-70.72
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416038	1	49	0.0	-72.38	409.61	0.89	-71.49
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416038	1	49	0.0	-72.38	409.61	0.89	-71.49
C[NH+](C)CC(O)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416040	0	52	0.0	-78.22	430.81	-1.18	-79.40
CC1CN(C)CC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024416057	0	53	0.0	-84.52	436.83	0.99	-83.53
CC1C[N@H+](C)CC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024416057	1	53	0.0	-84.52	436.91	0.98	-83.54
CC1C[N@@H+](C)CC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024416057	1	53	0.0	-84.52	436.91	0.98	-83.54
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024416095	0	52	0.0	-73.63	428.04	1.52	-72.11
CC(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416099	0	54	0.0	-74.42	438.32	1.69	-72.73
CN1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024416114	0	54	0.0	-73.74	437.29	-0.69	-74.43
C[NH+]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024416114	1	54	0.0	-73.74	437.29	-0.69	-74.43
C[N@@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416284	0	49	0.0	-71.01	398.28	0.35	-70.66
C[N@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416284	1	49	0.0	-71.13	398.29	0.35	-70.78
C[N@@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024416310	1	50	0.0	-76.02	408.52	0.10	-75.92
C[N@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024416310	1	50	0.0	-75.92	408.59	0.10	-75.82
O=C(CC[NH+]1CCOCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416458	1	53	0.0	-75.82	433.60	-0.19	-76.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1	REAL300024416466	0	53	0.0	-71.33	422.86	1.80	-69.53
C[N@@H+]1CCC(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024416489	0	52	0.0	-73.57	425.15	1.37	-72.20
C[N@H+]1CCC(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024416489	1	52	0.0	-74.05	424.80	1.40	-72.65
CCC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024416495	0	51	0.0	-68.56	408.46	0.84	-67.72
C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416527	0	54	0.0	-74.56	443.67	1.94	-72.62
CC(C)C(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024416540	0	54	0.0	-70.09	427.38	2.06	-68.03
CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416541	0	54	0.0	-73.84	439.89	1.76	-72.08
CCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416541	1	54	0.0	-73.81	439.90	1.77	-72.04
CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416544	0	51	0.0	-71.56	417.58	1.22	-70.34
CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416544	1	51	0.0	-71.61	417.50	1.21	-70.40
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024416557	0	53	0.0	-72.73	419.92	1.01	-71.72
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024416557	1	53	0.0	-72.79	420.31	1.00	-71.79
CC1CC[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024416582	0	55	0.0	-71.78	440.85	2.29	-69.49
C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024416619	0	52	0.0	-72.12	428.91	1.51	-70.61
CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416636	0	51	0.0	-73.02	418.45	1.02	-72.00
CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416636	1	51	0.0	-73.00	418.42	1.01	-71.99
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024416648	0	53	0.0	-77.00	419.45	1.60	-75.40
C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024416686	0	52	0.0	-75.77	422.85	1.47	-74.30
CC(C)[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024416701	0	54	0.0	-69.52	427.72	2.04	-67.48
C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024416764	0	52	0.0	-73.29	412.46	0.97	-72.32
CCC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024416791	0	57	0.0	-65.41	441.55	2.26	-63.15
CC1CCC[N@@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416800	0	52	0.0	-68.49	424.32	1.46	-67.03
CC1CCC[N@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416800	1	52	0.0	-68.32	416.95	1.18	-67.14
CC(C)[N@@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416827	0	55	0.0	-69.22	431.22	2.08	-67.14
CC(C)[N@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416827	1	55	0.0	-68.48	430.85	2.05	-66.43
CC(C)[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024416834	0	54	0.0	-69.84	428.75	1.94	-67.90
CC1CC[N@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024416844	0	52	0.0	-70.59	424.53	1.44	-69.15
CC1CC[N@@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024416844	1	52	0.0	-70.92	424.14	1.56	-69.36
CC1(C)CC[N@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024416846	0	55	0.0	-70.68	443.37	2.06	-68.62
CC1(C)CC[N@@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024416846	1	55	0.0	-70.86	443.62	2.03	-68.83
C[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024416847	0	57	0.0	-71.61	446.09	2.21	-69.40
C[N@@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024416847	1	57	0.0	-71.32	448.06	2.35	-68.97
CC[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024416854	0	51	0.0	-68.74	408.75	0.80	-67.94
CC1=[NH+]C=CN1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416934	1	47	0.0	-68.96	407.73	1.41	-67.55
CC[N@@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024416977	1	53	0.0	-79.99	433.47	0.91	-79.08
CC[N@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024416977	1	53	0.0	-72.65	426.40	0.75	-71.90
CC1=C[NH+]=CN1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024416997	1	47	0.0	-71.55	408.03	2.14	-69.41
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024417002	0	52	0.0	-74.28	414.91	0.77	-73.51
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024417002	1	52	0.0	-71.62	420.44	1.30	-70.32
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024417004	0	55	0.0	-72.91	435.74	1.50	-71.41
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024417004	1	55	0.0	-71.89	440.45	1.81	-70.08
CC1CCC(C)[NH+]1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417009	0	55	0.0	-68.27	437.74	1.84	-66.43
O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417011	0	55	0.0	-72.54	447.42	2.27	-70.27
O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417015	0	55	0.0	-72.56	442.27	2.23	-70.33
CC[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417018	0	55	0.0	-67.57	438.11	2.04	-65.53
CC[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417018	1	55	0.0	-67.78	428.61	1.89	-65.89
C[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024417098	0	52	0.0	-69.62	424.36	1.78	-67.84
C[N@@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024417098	1	52	0.0	-69.86	424.50	1.79	-68.07
C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024417122	0	52	0.0	-75.77	422.85	1.47	-74.30
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417144	0	49	0.0	-70.28	398.26	0.36	-69.92
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417144	1	49	0.0	-68.82	404.54	0.87	-67.95
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417161	1	51	0.0	-69.50	424.99	1.56	-67.94
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417161	1	51	0.0	-69.37	430.65	2.10	-67.27
C[N@@H+]1CCCC1CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417166	0	55	0.0	-71.52	440.23	1.83	-69.69
C[N@H+]1CCCC1CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417166	1	55	0.0	-74.48	441.86	2.16	-72.32
C[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417229	0	52	0.0	-68.19	420.23	1.39	-66.80
C[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417229	1	52	0.0	-68.20	420.24	1.39	-66.81
CC1C(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024417278	0	52	0.0	-74.17	421.32	1.09	-73.08
CC1C(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024417278	1	52	0.0	-70.32	419.50	1.00	-69.32
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417328	0	55	0.0	-69.50	422.29	1.34	-68.16
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417328	1	55	0.0	-68.57	423.59	0.95	-67.62
C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024417341	0	48	0.0	-70.36	396.50	0.21	-70.15
C=CCC(C)(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024417353	0	55	0.0	-66.83	433.65	1.86	-64.97
O=C(CC[NH+]1CCCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417365	0	52	0.0	-72.75	425.58	1.46	-71.29
C[N@H+](CCO)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417373	1	49	0.0	-71.91	406.42	-2.77	-74.68
C[N@@H+](CCO)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417373	1	49	0.0	-72.02	406.13	-2.77	-74.79
C[N@H+]1CC=C(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024417419	0	53	0.0	-71.96	437.40	2.13	-69.83
C[N@@H+]1CC=C(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024417419	1	53	0.0	-70.53	437.41	2.13	-68.40
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417437	0	53	0.0	-75.95	425.82	-1.83	-77.78
C[N@H+]1CC(O)CC1(C)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417437	1	53	0.0	-75.61	424.74	-2.00	-77.61
CC1C[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024417463	1	49	0.0	-71.60	409.61	0.89	-70.71
CC[N@@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024417469	0	55	0.0	-70.76	440.50	2.08	-68.68
CC[N@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024417469	1	55	0.0	-65.63	434.25	2.28	-63.35
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024417480	0	53	0.0	-66.69	435.58	2.32	-64.37
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024417480	1	53	0.0	-66.09	430.57	2.15	-63.94
O=C(C=CC[NH+]1CCCC1)NC[C@@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417501	0	53	0.0	-74.43	439.56	2.16	-72.27
CC[N@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417538	0	48	0.0	-71.25	396.00	0.46	-70.79
O=C(CN1CC2C=CC1C2)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417567	0	51	0.0	-69.65	417.43	1.76	-67.89
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417567	1	51	0.0	-69.58	417.43	1.76	-67.82
O=C(C[N@H+]1CC2C=CC1C2)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417567	1	51	0.0	-69.58	417.43	1.76	-67.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024417611	0	52	0.0	-78.21	414.60	-1.74	-79.95
COCCN(C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417642	0	52	0.0	-71.59	428.45	-0.38	-71.97
COCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417642	1	52	0.0	-72.52	428.61	-0.37	-72.89
COCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417642	1	52	0.0	-72.52	428.61	-0.37	-72.89
CC(CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024417645	0	54	0.0	-74.72	431.99	1.53	-73.19
CC[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024417658	0	52	0.0	-68.05	423.26	1.56	-66.49
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024417683	0	50	0.0	-72.75	409.11	0.93	-71.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024417690	0	53	0.0	-68.85	422.43	1.71	-67.14
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024417690	1	53	0.0	-68.85	422.43	1.71	-67.14
CC(C[NH+](C)C)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417703	0	51	0.0	-72.97	416.68	1.08	-71.89
CCN1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417731	0	49	0.0	-70.70	409.94	0.78	-69.92
CC[N@@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417731	1	49	0.0	-69.56	402.85	0.46	-69.10
CC[N@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417731	1	49	0.0	-69.56	402.85	0.46	-69.10
CCC(C)(C)[NH2+]C(C)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417737	0	57	0.0	-70.52	443.99	0.35	-70.17
CCCC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024417767	0	54	0.0	-70.25	430.18	1.58	-68.67
C[NH+](C)C(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417771	0	51	0.0	-74.37	405.98	0.92	-73.45
CC(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417784	0	54	0.0	-73.29	438.32	1.71	-71.58
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417832	0	55	0.0	-69.69	438.63	1.42	-68.27
C[N@H+]1CC(C)(C)CC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417832	1	55	0.0	-69.69	438.63	1.42	-68.27
C[NH+](C)CCCCCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417834	0	57	0.0	-74.14	465.18	2.73	-71.41
CN1CCN(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024417841	0	54	0.0	-72.49	437.35	-0.69	-73.18
C[NH+]1CCN(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024417841	1	54	0.0	-72.49	437.35	-0.69	-73.18
CC1CN(C)CC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024417882	0	53	0.0	-79.79	430.10	0.96	-78.83
CC1C[N@H+](C)CC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024417882	1	53	0.0	-82.68	429.69	0.55	-82.13
CC1C[N@@H+](C)CC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024417882	1	53	0.0	-82.68	429.69	0.55	-82.13
C[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417926	0	52	0.0	-68.20	420.24	1.39	-66.81
C[N@@H+]1CCC(=CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024417984	0	50	0.0	-75.49	416.22	1.39	-74.10
C[N@H+]1CCC(=CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024417984	1	50	0.0	-75.49	416.22	1.39	-74.10
O=C(CNC1=CC=[NH+]C=C1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417986	0	48	0.0	-71.49	413.98	-0.93	-72.42
C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024418036	0	55	0.0	-72.82	430.64	2.27	-70.55
CCC1CN(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024418043	0	52	0.0	-72.46	430.74	1.64	-70.82
CCC1C[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024418043	1	52	0.0	-72.46	430.74	1.64	-70.82
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418052	0	49	0.0	-71.06	398.32	0.36	-70.70
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024418130	0	52	0.0	-73.01	427.89	1.53	-71.48
C[NH+](C)CCC1(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024418138	0	55	0.0	-75.87	454.00	2.34	-73.53
C[N@@H+]1CC=CCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418139	0	53	0.0	-65.89	424.45	1.79	-64.10
C[N@H+]1CC=CCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418139	1	53	0.0	-65.89	424.45	1.79	-64.10
C[NH+](C)CCOCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418167	0	52	0.0	-72.72	434.13	0.87	-71.85
[NH2+]=C1SC=CN1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418191	0	45	0.0	-68.53	405.34	-0.02	-68.55
C[N@@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024418247	0	52	0.0	-66.13	416.65	1.63	-64.50
C[N@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024418247	1	52	0.0	-66.13	416.65	1.63	-64.50
O=C(C[NH+]1CCCCCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418248	0	55	0.0	-70.85	429.37	1.86	-68.99
CN1C=C[N+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024418251	0	47	0.0	-69.73	409.51	3.31	-66.42
O=C(CN1CCC(O)CC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418270	0	53	0.0	-75.88	431.47	-1.68	-77.56
O=C(C[NH+]1CCC(O)CC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418270	1	53	0.0	-75.88	431.47	-1.68	-77.56
C[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024418271	0	49	0.0	-69.31	407.68	1.21	-68.10
CC(CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024418289	0	54	0.0	-73.83	435.45	1.80	-72.03
CN1CCOCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418306	0	53	0.0	-77.18	428.83	-0.37	-77.55
C[N@@H+]1CCOCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418306	1	53	0.0	-77.28	428.90	-0.38	-77.66
C[N@H+]1CCOCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418306	1	53	0.0	-77.28	428.90	-0.38	-77.66
CC1(O)CC[N@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024418367	0	53	0.0	-71.71	434.86	-1.78	-73.49
C[NH+]1CC(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024418388	0	49	0.0	-72.60	409.73	0.63	-71.97
C[N@H+](CCO)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418411	0	52	0.0	-72.64	428.72	-2.22	-74.86
C[N@@H+](CCO)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418411	1	52	0.0	-72.64	428.72	-2.22	-74.86
C[N@@H+]1CCCCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418426	0	55	0.0	-65.43	430.02	1.85	-63.58
C[N@H+]1CCCCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418426	1	55	0.0	-65.43	430.02	1.85	-63.58
CC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300024418436	0	52	0.0	-68.96	426.46	1.55	-67.41
CC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024418436	1	52	0.0	-68.96	426.46	1.55	-67.41
CC1CCN1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418438	0	49	0.0	-70.52	409.59	0.89	-69.63
CC1CC[N@@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418438	1	49	0.0	-70.53	409.61	0.88	-69.65
CC1CC[N@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418438	1	49	0.0	-70.53	409.61	0.88	-69.65
C[NH+](C)CC=CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418444	0	49	0.0	-75.88	415.50	1.05	-74.83
CC1(C)CN(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024418449	0	52	0.0	-71.66	428.72	1.38	-70.28
CC1(C)C[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024418449	1	52	0.0	-71.66	428.72	1.38	-70.28
O=C(C[N@H+]1CCCC1CO)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418483	0	53	0.0	-68.16	424.10	-1.65	-69.81
CC[NH+](CC)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418485	0	51	0.0	-69.90	409.88	0.88	-69.02
O=C(CN1CCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418494	0	46	0.0	-71.79	388.57	0.28	-71.51
O=C(C[NH+]1CCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418494	1	46	0.0	-71.79	388.57	0.28	-71.51
CC[NH+](CC)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418522	0	54	0.0	-72.44	431.87	1.44	-71.00
CC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300024418572	0	49	0.0	-69.12	405.91	0.88	-68.24
CC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024418572	1	49	0.0	-69.12	405.91	0.88	-68.24
CCC(CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024418577	0	57	0.0	-76.23	453.10	2.42	-73.81
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418582	0	54	0.0	-71.84	428.12	1.54	-70.30
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418611	0	52	0.0	-68.83	420.24	1.40	-67.43
C[NH+](C)CC(O)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418630	0	52	0.0	-76.60	430.97	-1.19	-77.79
C=CCC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024418650	0	52	0.0	-68.56	421.99	1.28	-67.28
C[NH+]1CCC(C)(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024418661	0	55	0.0	-69.99	435.57	1.90	-68.09
NC(=[NH2+])SCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418682	0	43	0.0	-75.35	386.20	-3.25	-78.60
C[NH+](C)CCC1(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024418705	0	55	0.0	-76.22	453.55	2.38	-73.84
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418706	0	53	0.0	-67.93	424.44	1.79	-66.14
C[N@H+]1CC=CCC1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418706	1	53	0.0	-67.93	424.44	1.79	-66.14
CCC1C[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024418787	1	52	0.0	-74.52	430.93	1.65	-72.87
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024418792	1	49	0.0	-72.87	398.27	0.35	-72.52
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[NH+]2CCCCC2)C1	REAL300024418809	0	52	0.0	-73.00	420.04	1.67	-71.33
CC1C(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024418814	0	52	0.0	-74.05	420.41	1.28	-72.77
CC1C(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024418814	1	52	0.0	-74.15	418.43	0.96	-73.19
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COCC[N@H+](C)CC(=O)NC(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024420315	1	54	0.0	-72.60	443.81	0.11	-72.49
COCC[N@@H+](C)CC(=O)NC(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024420315	1	54	0.0	-72.60	443.81	0.11	-72.49
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCCC1	REAL300024420331	0	57	0.0	-75.27	442.31	2.39	-72.88
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC(C)[NH+](C)C	REAL300024420333	0	56	0.0	-71.56	450.76	1.99	-69.57
CCN1CCC1C(=O)NC(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024420339	0	51	0.0	-70.93	425.13	1.23	-69.70
CC[N@@H+]1CCC1C(=O)NC(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024420339	1	51	0.0	-69.55	418.05	0.91	-68.64
CC[N@H+]1CCC1C(=O)NC(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024420339	1	51	0.0	-69.55	418.05	0.91	-68.64
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300024420363	0	57	0.0	-70.50	450.73	2.34	-68.16
C=CCC(C(=O)NC(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024420379	0	54	0.0	-68.52	437.15	1.76	-66.76
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024420386	0	57	0.0	-70.04	453.37	1.98	-68.06
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300024420386	1	57	0.0	-70.04	453.37	1.98	-68.06
CCCC(C(=O)NC(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024420403	0	56	0.0	-69.85	445.38	2.05	-67.80
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+](C)C	REAL300024420406	0	53	0.0	-74.60	419.38	1.37	-73.23
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024420426	0	54	0.0	-69.12	426.14	1.69	-67.43
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300024420445	0	55	0.0	-69.77	452.61	2.59	-67.18
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300024420445	1	55	0.0	-69.77	452.61	2.59	-67.18
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+]1CCCC1	REAL300024420474	0	55	0.0	-74.33	454.04	2.55	-71.78
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300024420499	0	54	0.0	-72.46	441.80	1.99	-70.47
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024420523	0	52	0.0	-73.76	425.73	1.42	-72.34
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300024420528	0	55	0.0	-69.52	440.49	2.37	-67.15
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2CCC1C2	REAL300024420528	1	55	0.0	-69.52	440.49	2.37	-67.15
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC2C=CC1C2	REAL300024420562	0	53	0.0	-68.49	432.61	2.14	-66.35
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024420562	1	53	0.0	-69.85	432.61	2.23	-67.62
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300024420562	1	53	0.0	-69.85	432.61	2.23	-67.62
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)C[NH+](C)C	REAL300024420589	0	53	0.0	-72.68	431.88	1.53	-71.15
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@@H+]1C	REAL300024420625	0	57	0.0	-73.72	452.72	2.46	-71.26
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@H+]1C	REAL300024420625	1	57	0.0	-73.72	452.72	2.46	-71.26
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC1C	REAL300024420636	0	51	0.0	-70.63	424.81	1.35	-69.28
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC1C	REAL300024420636	1	51	0.0	-69.61	419.25	1.08	-68.53
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC1C	REAL300024420636	1	51	0.0	-69.61	419.25	1.08	-68.53
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC(O)C[NH+](C)C	REAL300024420638	0	54	0.0	-76.26	446.07	-0.71	-76.97
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024420690	0	54	0.0	-71.85	443.20	1.99	-69.86
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)CC[NH+](C)C	REAL300024420694	0	56	0.0	-72.75	453.51	2.15	-70.60
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCN(C)CC1	REAL300024420709	0	56	0.0	-71.83	452.88	-0.21	-72.04
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC[NH+](C)CC1	REAL300024420709	1	56	0.0	-71.83	452.88	-0.21	-72.04
CC(CCCNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024420878	0	51	0.0	-68.20	413.49	0.81	-67.39
CC(CCCNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024420878	1	51	0.0	-68.20	413.49	0.81	-67.39
CC(CCCNC(=O)C1CN(C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024420904	0	52	0.0	-77.67	430.86	0.72	-76.95
CC(CCCNC(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024420904	1	52	0.0	-71.67	423.75	0.57	-71.10
CC(CCCNC(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024420904	1	52	0.0	-71.67	423.75	0.57	-71.10
CC(CCCNC(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421060	0	55	0.0	-68.71	438.21	2.26	-66.45
CC(CCCNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421081	0	54	0.0	-72.44	440.02	1.86	-70.58
CC(CCCNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421081	1	54	0.0	-72.44	440.02	1.86	-70.58
CCC(C(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024421087	0	53	0.0	-67.13	424.13	1.26	-65.87
CC(CCCNC(=O)CCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421116	0	56	0.0	-72.95	458.84	2.41	-70.54
CC(C)C(C(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024421128	0	56	0.0	-68.07	443.49	2.48	-65.59
CCC[N@H+](C)CCC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421129	0	56	0.0	-71.75	455.07	2.22	-69.53
CCC[N@@H+](C)CCC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421129	1	56	0.0	-71.75	455.07	2.22	-69.53
CCC[N@H+](C)CC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421132	0	53	0.0	-69.45	432.70	1.67	-67.78
CCC[N@@H+](C)CC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421132	1	53	0.0	-69.45	432.70	1.67	-67.78
CC(CCCNC(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421141	0	55	0.0	-70.61	435.12	1.48	-69.13
CC(CCCNC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421141	1	55	0.0	-70.61	435.12	1.48	-69.13
CC(CCCNC(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421165	0	57	0.0	-69.47	456.44	2.76	-66.71
CC(CCCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421202	0	54	0.0	-69.73	445.15	2.02	-67.71
CC[N@H+](C)CCC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421219	0	53	0.0	-71.02	433.57	1.49	-69.53
CC[N@@H+](C)CCC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421219	1	53	0.0	-71.00	433.57	1.48	-69.52
CC(CCCNC(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421230	0	55	0.0	-72.95	434.85	2.06	-70.89
CC(CCCNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421267	0	54	0.0	-72.90	438.07	1.93	-70.97
CC(CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421282	0	56	0.0	-66.82	439.67	2.13	-64.69
CC(CCCNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421342	0	54	0.0	-71.11	424.32	1.81	-69.30
CC(CCCNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421376	0	54	0.0	-66.60	438.64	2.04	-64.56
CC(CCCNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421376	1	54	0.0	-66.14	432.19	1.65	-64.49
CC(CCCNC(=O)C1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421402	0	57	0.0	-64.83	452.27	2.38	-62.45
CC(CCCNC(=O)C1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421402	1	57	0.0	-66.30	446.35	2.54	-63.76
CC(CCCNC(=O)[C@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421409	0	56	0.0	-67.66	440.86	2.50	-65.16
CC(CCCNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421419	0	54	0.0	-68.50	439.50	1.99	-66.51
CC(CCCNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421419	1	54	0.0	-68.53	439.35	2.02	-66.51
CC(CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421420	0	57	0.0	-68.56	459.06	2.52	-66.04
CC(CCCNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421420	1	57	0.0	-68.45	458.51	2.51	-65.94
CC[C@@H](C(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024421427	0	53	0.0	-66.78	423.71	1.28	-65.50
CC1=[NH+]C=CN1CC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421505	1	49	0.0	-66.94	422.91	1.87	-65.07
CC1=C[NH+]=CN1CC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421563	1	49	0.0	-69.69	422.19	2.56	-67.13
CC(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421567	0	54	0.0	-72.12	430.02	1.23	-70.89
CC(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421567	1	54	0.0	-69.80	435.51	1.78	-68.02
CC[C@@H]1[C@@H](C(=O)NCCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024421569	0	57	0.0	-70.84	450.49	1.95	-68.89
CC[C@@H]1[C@@H](C(=O)NCCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024421569	1	57	0.0	-69.04	454.49	2.48	-66.56
CC(CCCNC(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421574	0	57	0.0	-65.30	450.51	2.14	-63.16
CC(CCCNC(=O)CCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421576	0	57	0.0	-70.99	463.30	2.80	-68.19
CC(CCCNC(=O)CC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421579	0	57	0.0	-70.54	457.02	2.67	-67.87
CC[N@@H+]1CCCCC1C(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421582	0	57	0.0	-65.77	443.84	2.34	-63.43
CC[N@H+]1CCCCC1C(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421582	1	57	0.0	-65.91	443.82	2.36	-63.55
CC(CCCNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421659	0	54	0.0	-67.69	439.60	2.24	-65.45
CC(CCCNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421659	1	54	0.0	-67.48	439.69	2.24	-65.24
CC(CCCNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421679	0	54	0.0	-72.90	438.07	1.93	-70.97
CC(CCCNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421701	0	51	0.0	-66.88	419.43	1.31	-65.57
CC(CCCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421701	1	51	0.0	-68.75	413.51	0.82	-67.93
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421718	1	53	0.0	-66.68	440.15	2.04	-64.64
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421718	1	53	0.0	-66.86	446.00	2.55	-64.31
CC(CCCNC(=O)CCC1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421723	0	57	0.0	-70.03	455.43	2.29	-67.74
CC(CCCNC(=O)CCC1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421723	1	57	0.0	-71.50	460.86	2.76	-68.74
CC(CCCNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421782	0	54	0.0	-67.51	426.14	1.69	-65.82
CC(CCCNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421782	1	54	0.0	-67.49	426.12	1.67	-65.82
CC(CCCNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421827	0	54	0.0	-69.06	434.64	1.50	-67.56
CC(CCCNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421827	1	54	0.0	-68.97	434.68	1.47	-67.50
CC(CCCNC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421874	0	57	0.0	-65.81	438.82	1.43	-64.38
CC(CCCNC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421874	1	57	0.0	-66.79	438.17	1.77	-65.02
CC(CCCNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421886	0	50	0.0	-68.18	411.58	0.65	-67.53
C=CCC(C)(C(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024421898	0	57	0.0	-69.26	447.09	3.16	-66.10
CC(CCCNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421910	0	54	0.0	-70.51	441.80	1.99	-68.52
CC(CCCNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421916	1	51	0.0	-69.85	421.56	-2.31	-72.16
CC(CCCNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421916	1	51	0.0	-69.61	421.34	-2.31	-71.92
CC(CCCNC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421961	0	55	0.0	-70.80	452.62	2.59	-68.21
CC(CCCNC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024421961	1	55	0.0	-69.60	452.61	2.59	-67.01
CC(CCCNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422001	1	51	0.0	-69.42	424.75	1.36	-68.06
CC[N@@H+]1CCCC(C(=O)NCCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024422006	0	57	0.0	-64.11	449.46	2.74	-61.37
CC[N@H+]1CCCC(C(=O)NCCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024422006	1	57	0.0	-68.79	455.72	2.53	-66.26
CC(CCCNC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422017	0	55	0.0	-68.56	446.39	2.36	-66.20
CC(CCCNC(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422017	1	55	0.0	-66.96	443.89	2.12	-64.84
CC(CCCNC(=O)C=CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422036	0	55	0.0	-72.68	454.04	2.54	-70.14
CC[N@H+](C)CC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422071	0	50	0.0	-69.07	411.21	0.94	-68.13
CC(CCCNC(=O)CN1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422098	0	53	0.0	-67.30	432.59	2.22	-65.08
CC(CCCNC(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422098	1	53	0.0	-66.07	432.57	2.13	-63.94
CC(CCCNC(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422098	1	53	0.0	-66.07	432.57	2.13	-63.94
CC(CCCNC(=O)C1C[NH+]2CCN1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422140	0	54	0.0	-74.05	429.75	-1.27	-75.32
COCC[N@H+](C)CC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422171	1	54	0.0	-69.50	443.59	0.09	-69.41
COCC[N@@H+](C)CC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422171	1	54	0.0	-69.95	443.81	0.09	-69.86
CC(CCCNC(=O)CCC(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422174	0	56	0.0	-70.57	450.76	1.99	-68.58
CC(CCCNC(=O)C=C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422181	0	55	0.0	-72.44	447.02	2.55	-69.89
CC[N@H+](CC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024422186	0	54	0.0	-65.81	438.72	2.06	-63.75
CC[N@@H+](CC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024422186	1	54	0.0	-67.58	434.88	2.17	-65.41
CC(CCCNC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422210	0	52	0.0	-69.60	426.41	1.36	-68.24
CC(CCCNC(=O)C12CC(C1)C[N@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422210	1	52	0.0	-70.11	425.52	1.46	-68.65
CC(CCCNC(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422217	0	55	0.0	-67.11	440.20	2.37	-64.74
CC(CCCNC(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422217	1	55	0.0	-66.59	437.64	2.17	-64.42
CC(CCCNC(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422230	0	53	0.0	-70.92	431.89	1.54	-69.38
CC(CCCNC(=O)C1([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422238	0	51	0.0	-71.28	415.91	1.97	-69.31
CC(CCCNC(=O)[C@@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422253	0	50	0.0	-68.20	411.64	0.66	-67.54
CC[N@@H+]1CCC1C(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422257	1	51	0.0	-67.25	418.27	0.99	-66.26
CC[N@H+]1CCC1C(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422257	1	51	0.0	-68.26	425.11	1.29	-66.97
CC(CCCNC(=O)C1=C[NH+]=CC=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422284	0	47	0.0	-69.48	401.60	-1.25	-70.73
CCCC(C(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024422291	0	56	0.0	-68.23	445.38	2.04	-66.19
CC(CCCNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422295	0	53	0.0	-70.42	420.71	1.45	-68.97
CC(CCCNC(=O)C(C)CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422308	0	56	0.0	-71.73	453.52	2.17	-69.56
CC(CCCNC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422355	0	57	0.0	-68.19	453.86	1.87	-66.32
CC(CCCNC(=O)C1CC(C)(C)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422355	1	57	0.0	-67.58	453.35	1.98	-65.60
CC(CCCNC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422362	1	56	0.0	-71.78	452.88	-0.22	-72.00
CC(CCCNC(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422424	0	52	0.0	-69.16	428.82	2.14	-67.02
CC(CCCNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422439	0	54	0.0	-67.51	426.14	1.69	-65.82
CC(CCCNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422439	1	54	0.0	-67.49	426.12	1.67	-65.82
CC(CCCNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422494	0	52	0.0	-73.86	432.32	1.81	-72.05
CC(CCCNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422494	1	52	0.0	-74.03	432.32	1.81	-72.22
CC(CCCNC(=O)CNC1=CC=[NH+]C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422496	0	50	0.0	-69.56	429.19	-0.47	-70.03
CC(CCCNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024422519	0	41	0.0	-24.67	370.44	-4.14	-28.81
CC(CCCNC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422545	0	57	0.0	-71.44	444.59	2.47	-68.97
CCC1C[NH+](CC(=O)NCCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024422552	1	54	0.0	-70.13	446.14	2.12	-68.01
CC(CCCNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422561	0	51	0.0	-68.24	413.44	0.81	-67.43
CC(CCCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422561	1	51	0.0	-66.57	419.54	1.30	-65.27
CC(CCCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422635	0	54	0.0	-70.49	443.03	1.98	-68.51
CC(CCCNC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422642	0	57	0.0	-73.36	467.90	2.77	-70.59
CC(CCCNC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422643	0	55	0.0	-72.15	444.72	2.32	-69.83
CC(CCCNC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422643	1	55	0.0	-72.36	444.70	2.31	-70.05
CC(CCCNC(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422670	0	54	0.0	-70.94	449.35	1.32	-69.62
CC(CCCNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422693	0	47	0.0	-66.35	420.54	0.44	-65.91
CC(CCCNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422745	0	54	0.0	-70.42	438.06	1.89	-68.53
CC(CCCNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422745	1	54	0.0	-70.42	438.06	1.89	-68.53
CC(CCCNC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422746	0	57	0.0	-68.70	444.56	2.32	-66.38
CC(CCCNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422748	0	49	0.0	-67.96	424.71	3.77	-64.19
CC(CCCNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422767	0	51	0.0	-67.17	422.88	1.67	-65.50
CC(CC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024422781	0	56	0.0	-72.07	450.66	2.26	-69.81
CC(CCCNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422872	0	51	0.0	-71.33	424.92	1.09	-70.24
CC(CCCNC(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422894	0	54	0.0	-70.89	443.91	-1.76	-72.65
CC(CCCNC(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422894	1	54	0.0	-70.89	443.91	-1.76	-72.65
CC(CCCNC(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422908	0	57	0.0	-64.31	445.23	2.33	-61.98
CC(CCCNC(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422908	1	57	0.0	-64.31	445.23	2.33	-61.98
CC(CCCNC(=O)CN1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422920	0	51	0.0	-68.33	424.81	1.34	-66.99
CC(CCCNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422920	1	51	0.0	-67.40	419.26	1.08	-66.32
CC(CCCNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422920	1	51	0.0	-67.40	419.26	1.08	-66.32
CC(CCCNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422926	0	51	0.0	-74.31	429.44	1.48	-72.83
CC(CCCNC(=O)CN1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422931	0	54	0.0	-69.30	444.31	1.93	-67.37
CC(CCCNC(=O)C[NH+]1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422931	1	54	0.0	-69.30	444.31	1.93	-67.37
CC[NH+](CC)CC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422965	0	53	0.0	-67.60	429.58	1.62	-65.98
CC(CCCNC(=O)CN1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422974	0	48	0.0	-69.58	403.57	0.69	-68.89
CC(CCCNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422974	1	48	0.0	-69.58	403.57	0.69	-68.89
CC[NH+](CC)CCC(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024423001	0	56	0.0	-70.08	451.43	2.18	-67.90
CC(CCCNC(=O)C(C)N1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024423051	0	51	0.0	-67.60	423.48	1.20	-66.40
CC(CCCNC(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024423051	1	51	0.0	-67.60	423.48	1.20	-66.40
CC(CCCNC(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024423060	0	56	0.0	-66.56	441.00	1.96	-64.60
CC(CCCNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024423087	0	54	0.0	-67.49	426.12	1.69	-65.80
CC(CCCNC(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024423104	0	54	0.0	-74.96	446.18	-0.73	-75.69
C=CCC(C(=O)NCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024423123	0	54	0.0	-66.42	437.15	1.74	-64.68
CC(CCCNC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024423133	0	57	0.0	-69.51	450.73	2.34	-67.17
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC(N)=[NH2+]	REAL300024423154	0	45	0.0	-73.29	402.00	-2.87	-76.16
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300024423174	0	57	0.0	-75.52	469.19	2.80	-72.72
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@@H+]1C	REAL300024423175	0	55	0.0	-66.43	439.66	2.26	-64.17
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@H+]1C	REAL300024423175	1	55	0.0	-74.09	444.70	2.32	-71.77
CCC1CN(CC(=O)NC(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024423253	0	54	0.0	-72.55	446.14	2.13	-70.42
CCC1C[NH+](CC(=O)NC(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024423253	1	54	0.0	-72.55	446.14	2.13	-70.42
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024423258	0	51	0.0	-68.14	419.17	1.22	-66.92
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300024423275	0	54	0.0	-70.34	439.34	1.86	-68.48
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300024423275	1	54	0.0	-70.34	439.34	1.86	-68.48
CN(CCOCCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423523	0	52	0.0	-70.93	421.92	0.63	-70.30
CC1=NC=CN1CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423652	0	50	0.0	-69.00	431.40	1.69	-67.31
CC1=[NH+]C=CN1CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423652	1	50	0.0	-69.00	431.40	1.69	-67.31
CC1=CN=CN1CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423718	0	50	0.0	-72.47	431.89	2.30	-70.17
CC1=C[NH+]=CN1CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423718	1	50	0.0	-72.47	431.89	2.30	-70.17
CCC(C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024423727	0	54	0.0	-69.84	432.39	1.08	-68.76
CCC[N@H+](C)CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423740	0	54	0.0	-72.50	442.40	1.40	-71.10
CCC[N@@H+](C)CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423740	1	54	0.0	-72.50	442.40	1.40	-71.10
CN(CCOCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423751	0	52	0.0	-71.03	421.97	0.63	-70.40
CC[NH+](CC)CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423761	0	54	0.0	-70.62	433.56	1.16	-69.46
CC[N@H+](C)CCC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423857	0	54	0.0	-74.26	442.07	1.29	-72.97
CC[N@@H+](C)CCC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423857	1	54	0.0	-74.26	442.07	1.29	-72.97
CC[C@@H](C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024423863	0	54	0.0	-70.81	437.42	1.60	-69.21
CN(CCOCCNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423893	0	50	0.0	-70.10	434.41	3.51	-66.59
CC(C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)N1CCC1	REAL300024423901	0	52	0.0	-70.74	433.18	0.93	-69.81
CC(C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024423901	1	52	0.0	-70.74	433.18	0.93	-69.81
CN(CCOCCNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423909	0	52	0.0	-69.97	432.58	1.40	-68.57
CN(CCOCCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423918	0	52	0.0	-74.04	433.41	0.90	-73.14
CN(CCOCCNC(=O)CN1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423984	0	49	0.0	-72.58	412.07	0.50	-72.08
CN(CCOCCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423984	1	49	0.0	-72.58	412.07	0.50	-72.08
CN(CCOCCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423991	0	53	0.0	-76.57	441.07	1.56	-75.01
CN(CCOCCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423991	1	53	0.0	-76.57	441.07	1.56	-75.01
CC1CN(CC(=O)NCCOCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024424017	0	52	0.0	-72.58	434.45	1.09	-71.49
CC1C[NH+](CC(=O)NCCOCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024424017	1	52	0.0	-72.58	434.45	1.09	-71.49
CN(CCO)CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424028	0	52	0.0	-73.04	430.06	-2.49	-75.53
CN(CCOCCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424028	1	52	0.0	-72.56	429.84	-2.49	-75.05
CN(CCOCCNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424028	1	52	0.0	-72.56	429.84	-2.49	-75.05
CC[N@H+](C)CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424040	0	51	0.0	-72.06	420.91	0.66	-71.40
CN(CCOCCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424064	0	52	0.0	-77.35	437.94	1.29	-76.06
CCN1CCC1C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424077	0	52	0.0	-69.93	426.77	0.80	-69.13
CC[N@@H+]1CCC1C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424077	1	52	0.0	-71.65	434.81	1.02	-70.63
CC[N@H+]1CCC1C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424077	1	52	0.0	-71.65	434.81	1.02	-70.63
CN(CCOCCNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424102	0	54	0.0	-75.91	429.44	1.25	-74.66
CN(CCOCCNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424146	0	53	0.0	-75.49	434.02	1.28	-74.21
CC(C[NH+](C)C)C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424177	0	54	0.0	-67.30	440.17	1.45	-65.85
CC1CC[N@@H+]1CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424193	1	52	0.0	-62.16	427.77	1.29	-60.87
CC1CC[N@H+]1CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424193	1	52	0.0	-71.33	433.31	1.16	-70.17
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024424358	0	52	0.0	-67.40	420.94	1.15	-66.25
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024424358	1	52	0.0	-65.38	428.07	0.77	-64.61
CCC(C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024424502	0	54	0.0	-66.68	434.11	1.04	-65.64
CCC[N@H+](C)CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024424511	0	54	0.0	-66.59	440.96	1.74	-64.85
CCC[N@@H+](C)CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024424511	1	54	0.0	-68.14	441.20	1.41	-66.73
CC[N@H+](C)CCC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024424543	0	54	0.0	-70.28	442.07	1.28	-69.00
CC[N@@H+](C)CCC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024424543	1	54	0.0	-70.43	443.27	1.18	-69.25
CC[C@@H](C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024424620	0	54	0.0	-66.66	434.11	1.04	-65.62
CC1=[NH+]C=CN1CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024424651	1	50	0.0	-65.76	432.61	1.53	-64.23
CC1=C[NH+]=CN1CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024424667	1	50	0.0	-68.11	430.68	2.31	-65.80
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024424702	0	52	0.0	-65.85	424.09	0.86	-64.99
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024424702	1	52	0.0	-66.10	420.46	1.18	-64.92
C[C@@H](C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024424796	0	51	0.0	-66.83	418.51	0.40	-66.43
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024424814	1	52	0.0	-68.70	431.25	-2.64	-71.34
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024424814	1	52	0.0	-67.21	429.60	-2.25	-69.46
CC1C[NH+](CC(=O)N(C)CCOCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024424848	1	52	0.0	-68.22	434.44	1.01	-67.21
CC[N@H+](C)CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024424876	0	51	0.0	-67.70	419.70	0.67	-67.03
CC[N@@H+](C)CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024424876	1	51	0.0	-67.76	419.70	0.68	-67.08
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024424927	0	53	0.0	-74.37	427.36	1.95	-72.42
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C	REAL300024424927	1	53	0.0	-68.03	430.28	0.91	-67.12
CC(C[NH+](C)C)C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024424935	0	54	0.0	-65.67	436.40	1.05	-64.62
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300024424940	0	52	0.0	-72.71	423.02	1.37	-71.34
C[C@H](C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024424949	0	51	0.0	-66.80	418.67	0.35	-66.45
CC[N@@H+]1CCC1C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024424952	1	52	0.0	-67.40	433.30	0.81	-66.59
CC[N@H+]1CCC1C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024424952	1	52	0.0	-67.37	432.11	0.88	-66.49
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[NH+]=CC=C1N	REAL300024424962	0	48	0.0	-68.92	411.61	-2.08	-71.00
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024424967	0	54	0.0	-73.01	422.13	1.18	-71.83
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024425020	0	53	0.0	-67.69	437.32	1.88	-65.81
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024425042	0	53	0.0	-73.68	441.20	1.49	-72.19
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024425042	1	53	0.0	-69.88	439.04	1.96	-67.92
CN(CCOCCNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024425048	0	42	0.0	-25.30	378.93	-3.99	-29.29
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024425063	0	52	0.0	-67.29	420.92	1.14	-66.15
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024425063	1	52	0.0	-65.37	428.08	0.77	-64.60
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024425123	0	50	0.0	-66.52	433.20	3.52	-63.00
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024425131	0	52	0.0	-65.47	431.24	1.41	-64.06
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024425131	1	52	0.0	-65.45	431.24	1.42	-64.03
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024425174	0	52	0.0	-68.19	433.42	1.24	-66.95
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024425179	0	48	0.0	-66.57	401.98	0.36	-66.21
C[C@@H](C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024425185	0	51	0.0	-66.83	418.51	0.40	-66.43
CC1CC[N@@H+]1CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024425198	1	52	0.0	-65.77	433.27	1.46	-64.31
CC1CC[N@H+]1CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024425198	1	52	0.0	-64.63	427.75	1.20	-63.43
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024425199	0	52	0.0	-73.68	438.32	1.17	-72.51
CC[NH+](CC)CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024425212	0	54	0.0	-66.39	434.76	1.00	-65.39
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024425217	1	49	0.0	-68.45	413.27	0.34	-68.11
CC(C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024425252	1	52	0.0	-73.32	422.43	0.63	-72.69
CN(CCOCCNC(=O)CSC(N)=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024425303	0	46	0.0	-74.71	410.50	-3.05	-77.76
CN(CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024425350	0	52	0.0	-67.09	421.94	1.03	-66.06
CN(CCOCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024425350	1	52	0.0	-63.19	428.28	1.55	-61.64
CC(C)[C@@H](CCNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425573	0	54	0.0	-73.92	422.37	1.12	-72.80
CC(C)[C@@H](CCNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425573	1	54	0.0	-71.33	427.99	1.96	-69.37
CC1=[NH+]C=CN1CC(=O)NCC[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024425724	1	52	0.0	-71.19	431.77	2.18	-69.01
CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425742	0	57	0.0	-79.11	438.24	1.85	-77.26
CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425742	1	57	0.0	-75.83	443.68	2.37	-73.46
CC(C)[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425759	0	57	0.0	-80.81	438.05	1.93	-78.88
CC(C)[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425769	0	57	0.0	-72.46	447.74	2.87	-69.59
CC(C)[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425769	1	57	0.0	-72.81	452.48	2.76	-70.05
CC(C)[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425790	0	57	0.0	-80.31	446.20	2.55	-77.76
CC(C)[C@@H](CCNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425796	0	57	0.0	-72.37	438.91	2.20	-70.17
CC(C)[C@@H](CCNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425796	1	57	0.0	-72.08	434.98	1.98	-70.10
CC1=C[NH+]=CN1CC(=O)NCC[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024425813	1	52	0.0	-73.51	431.38	3.23	-70.28
CC(C)[C@@H](CCNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425822	0	57	0.0	-78.42	452.58	2.38	-76.04
CC(C)[C@@H](CCNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425822	1	57	0.0	-77.84	448.16	2.48	-75.36
CCC(C(=O)NCC[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024425825	0	56	0.0	-71.60	436.91	1.77	-69.83
CCC[N@H+](C)CC(=O)NCC[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024425841	0	56	0.0	-74.47	440.85	2.30	-72.17
CCC[N@@H+](C)CC(=O)NCC[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024425841	1	56	0.0	-74.51	441.56	1.97	-72.54
CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425855	0	54	0.0	-71.52	428.29	1.61	-69.91
CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425855	1	54	0.0	-74.77	426.29	1.34	-73.43
CC[NH+](CC)CC(=O)NCC[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024425867	0	56	0.0	-73.40	442.36	2.14	-71.26
CC(C)[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425919	0	57	0.0	-78.24	452.98	2.26	-75.98
CC(C)[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425940	0	57	0.0	-80.31	446.20	2.55	-77.76
CC[N@H+](C)CCC(=O)NCC[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024425977	0	56	0.0	-76.36	441.70	2.09	-74.27
CC[N@@H+](C)CCC(=O)NCC[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024425977	1	56	0.0	-76.40	442.43	1.78	-74.62
CC(C)[C@@H](CCNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425985	0	57	0.0	-71.94	446.77	2.66	-69.28
CC(C)[C@@H](CCNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425985	1	57	0.0	-71.00	441.05	1.95	-69.05
CC(C)[C@@H](CCNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425986	0	57	0.0	-74.08	446.99	2.63	-71.45
CC(C)[C@@H](CCNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024425986	1	57	0.0	-73.85	448.40	2.31	-71.54
CC[C@@H](C(=O)NCC[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024425988	0	56	0.0	-70.98	432.57	1.58	-69.40
CC(C)[C@@H](CCNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426019	0	50	0.0	-74.79	401.61	0.88	-73.91
CC(C)[C@@H](CCNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426020	0	52	0.0	-72.35	433.57	4.07	-68.28
CC(C)[C@@H](CCNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426023	0	57	0.0	-67.21	440.66	2.39	-64.82
CC(C)[C@@H](CCNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426023	1	57	0.0	-75.52	446.94	2.19	-73.33
CC(C)[C@@H](CCNC(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426030	1	54	0.0	-72.06	429.82	1.94	-70.12
CC(C)[C@@H](CCNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426038	0	54	0.0	-72.09	431.02	2.29	-69.80
CC(C)[C@@H](CCNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426038	1	54	0.0	-71.53	431.60	1.97	-69.56
CC(C)[C@@H](CCNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426048	0	54	0.0	-75.39	433.06	1.71	-73.68
CC(C)[C@@H](CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426059	0	53	0.0	-72.95	420.24	0.97	-71.98
CC(C)[C@@H](CCNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024426066	0	44	0.0	-25.75	379.30	-3.84	-29.59
CC(C)[C@@H](CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426097	0	53	0.0	-72.95	420.24	0.97	-71.98
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CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024427729	0	54	0.0	-73.88	422.38	1.12	-72.76
CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024427729	1	54	0.0	-71.32	427.90	1.96	-69.36
CC(C)[C@@H](CCNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024427735	0	57	0.0	-74.93	447.98	2.64	-72.29
CC(C)[C@@H](CCNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024427739	0	57	0.0	-75.89	443.84	2.32	-73.57
CC(C)[C@@H](CCNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024427739	1	57	0.0	-75.78	443.67	2.39	-73.39
C[N@@H+]1CCCC1C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024427920	0	52	0.0	-69.66	427.62	-0.87	-70.53
C[N@H+]1CCCC1C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024427920	1	52	0.0	-71.13	427.67	-0.88	-72.01
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CC1=C[NH+]=CN1CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428115	1	50	0.0	-71.80	436.39	0.87	-70.93
CCC(C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024428124	0	54	0.0	-69.22	438.09	-0.42	-69.64
CCC[N@H+](C)CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428137	0	54	0.0	-71.44	446.90	-0.01	-71.45
CCC[N@@H+](C)CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428137	1	54	0.0	-71.45	446.90	-0.02	-71.47
C[N@@H+]1CCC[C@@H]1C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428148	0	52	0.0	-69.79	427.67	-0.88	-70.67
C[N@H+]1CCC[C@@H]1C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428148	1	52	0.0	-68.37	434.01	-0.36	-68.73
CC[NH+](CC)CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428158	0	54	0.0	-69.45	443.77	-0.06	-69.51
CC[N@H+](C)CCC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428254	0	54	0.0	-73.26	447.77	-0.20	-73.46
CC[N@@H+](C)CCC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428254	1	54	0.0	-73.29	447.77	-0.21	-73.50
CC[C@@H](C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024428260	0	54	0.0	-68.80	437.91	-0.41	-69.21
C[NH+](C)CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428289	0	48	0.0	-71.71	407.67	-1.43	-73.14
CN1C=C[N+](CC(=O)NCCOCCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024428290	0	50	0.0	-69.51	438.91	2.08	-67.43
CC(C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024428298	1	52	0.0	-69.42	437.68	-0.49	-69.91
C[N@H+](CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024428306	0	52	0.0	-69.04	437.08	-0.02	-69.06
C[N@@H+](CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024428306	1	52	0.0	-69.10	437.08	-0.02	-69.12
C[NH+]1CC(CC(=O)NCCOCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024428315	0	52	0.0	-73.52	439.12	-0.60	-74.12
C[C@@H](C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024428324	0	51	0.0	-70.21	425.57	-1.02	-71.23
[N-]=[N+]=NCC(=O)NCCOCCCNC(=O)CSC1=NC(=O)NN1	REAL300024428330	0	42	0.0	-25.11	384.64	-5.83	-30.94
C[C@@H](C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024428355	0	51	0.0	-70.21	425.57	-1.02	-71.23
O=C(CSC1=NNC(=O)[N-]1)NCCCOCCNC(=O)C[NH+]1CCC1	REAL300024428381	1	49	0.0	-71.56	417.77	-1.00	-72.56
C[N@@H+]1CCC(=CC(=O)NCCOCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024428388	0	53	0.0	-76.02	445.57	0.14	-75.88
C[N@H+]1CCC(=CC(=O)NCCOCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024428388	1	53	0.0	-75.69	446.53	0.12	-75.57
C[C@H](C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024428402	0	51	0.0	-69.58	425.81	-1.01	-70.59
CC1C[NH+](CC(=O)NCCOCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024428414	1	52	0.0	-71.60	438.95	-0.33	-71.93
C[N@H+](CCO)CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428425	1	52	0.0	-72.16	435.76	-4.00	-76.16
C[N@@H+](CCO)CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428425	1	52	0.0	-71.49	435.54	-4.00	-75.49
CC[N@H+](C)CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428437	0	51	0.0	-71.02	425.41	-0.76	-71.78
CC[N@@H+](C)CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428437	1	51	0.0	-70.97	425.41	-0.75	-71.72
C[NH+](C)CC=CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428461	0	52	0.0	-76.73	444.90	-0.17	-76.90
CC[N@@H+]1CCC1C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428474	1	52	0.0	-69.99	431.54	-0.58	-70.57
CC[N@H+]1CCC1C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428474	1	52	0.0	-70.38	439.31	-0.40	-70.78
O=C(CSC1=NNC(=O)[N-]1)NCCCOCCNC(=O)C[NH+]1CC2CC2C1	REAL300024428494	0	53	0.0	-71.31	443.02	0.45	-70.86
C[NH+](C)C(C)(C)C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428499	0	54	0.0	-73.01	435.13	-0.27	-73.28
C[NH+](C)C1(C(=O)NCCOCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024428534	0	52	0.0	-73.76	430.11	0.28	-73.48
C[N@@H+]1CC2CC1(C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024428543	0	53	0.0	-72.62	439.72	-0.22	-72.84
C[N@H+]1CC2CC1(C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024428543	1	53	0.0	-73.83	439.28	-0.32	-74.15
CC(C[NH+](C)C)C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428574	0	54	0.0	-72.97	446.08	-0.15	-73.12
CC1CC[N@@H+]1CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428590	1	52	0.0	-69.30	433.46	-0.61	-69.91
CC1CC[N@H+]1CC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428590	1	52	0.0	-70.45	439.01	-0.35	-70.80
C[N@@H+]1CCCC1C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428755	0	52	0.0	-70.23	427.68	-0.88	-71.11
C[N@H+]1CCCC1C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428755	1	52	0.0	-70.87	427.71	-0.87	-71.74
CCC(C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024428899	0	54	0.0	-69.15	438.09	-0.42	-69.57
CCC[N@H+](C)CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428908	0	54	0.0	-71.66	446.90	-0.01	-71.67
CCC[N@@H+](C)CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428908	1	54	0.0	-71.66	446.90	-0.02	-71.68
CC[N@H+](C)CCC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428940	0	54	0.0	-73.36	447.77	-0.20	-73.56
CC[N@@H+](C)CCC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024428940	1	54	0.0	-73.31	447.77	-0.21	-73.52
CC[C@@H](C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024429017	0	54	0.0	-68.91	437.91	-0.41	-69.32
CC1=[NH+]C=CN1CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429048	1	50	0.0	-68.83	437.11	0.19	-68.64
CC1=C[NH+]=CN1CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429064	1	50	0.0	-71.72	436.39	0.87	-70.85
C[N@@H+]1CCC[C@@H]1C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429099	0	52	0.0	-70.36	427.71	-0.87	-71.23
C[N@H+]1CCC[C@@H]1C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429099	1	52	0.0	-68.59	434.01	-0.37	-68.96
C[C@@H](C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024429193	0	51	0.0	-70.22	425.78	-1.03	-71.25
C[N@H+](CCO)CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429211	1	52	0.0	-72.30	435.75	-4.00	-76.30
C[N@@H+](CCO)CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429211	1	52	0.0	-71.69	435.54	-4.00	-75.69
CC1C[NH+](CC(=O)NCCCOCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024429245	1	52	0.0	-71.72	438.95	-0.33	-72.05
CC[N@H+](C)CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429273	0	51	0.0	-71.21	425.41	-0.76	-71.97
CC[N@@H+](C)CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429273	1	51	0.0	-71.30	425.41	-0.75	-72.05
C[N@@H+]1CC2CC1(C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024429324	0	53	0.0	-72.29	439.72	-0.23	-72.52
C[N@H+]1CC2CC1(C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024429324	1	53	0.0	-72.73	437.87	-0.07	-72.80
CC(C[NH+](C)C)C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429332	0	54	0.0	-67.65	445.87	-0.06	-67.71
C[NH+](C)C1(C(=O)NCCCOCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024429337	0	52	0.0	-73.29	430.11	0.27	-73.02
C[C@H](C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024429346	0	51	0.0	-69.98	425.84	-1.03	-71.01
CC[N@@H+]1CCC1C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429349	1	52	0.0	-69.27	432.47	-0.70	-69.97
CC[N@H+]1CCC1C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429349	1	52	0.0	-70.44	439.31	-0.40	-70.84
NC1=CC=[NH+]C=C1C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429359	0	48	0.0	-72.05	415.79	-2.94	-74.99
C[NH+](C)C(C)(C)C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429364	0	54	0.0	-72.75	435.14	-0.27	-73.02
O=C(CSC1=NNC(=O)[N-]1)NCCOCCCNC(=O)C[NH+]1CC2CC2C1	REAL300024429417	0	53	0.0	-71.54	443.02	0.45	-71.09
C[N@@H+]1CCC(=CC(=O)NCCCOCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024429439	0	53	0.0	-76.08	445.57	0.14	-75.94
C[N@H+]1CCC(=CC(=O)NCCCOCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024429439	1	53	0.0	-75.86	446.53	0.12	-75.74
[N-]=[N+]=NCC(=O)NCCCOCCNC(=O)CSC1=NC(=O)NN1	REAL300024429445	0	42	0.0	-24.74	384.64	-5.83	-30.57
C[N@@H+]1CCC[C@H]1C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429460	0	52	0.0	-68.54	433.74	-0.39	-68.93
C[N@H+]1CCC[C@H]1C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429460	1	52	0.0	-70.75	427.64	-0.87	-71.62
CN1C=C[N+](CC(=O)NCCCOCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024429520	0	50	0.0	-69.80	438.91	2.08	-67.72
C[N@H+](CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024429528	0	52	0.0	-69.29	437.08	-0.02	-69.31
C[N@@H+](CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024429528	1	52	0.0	-69.34	437.07	-0.02	-69.36
C[NH+]1CC(CC(=O)NCCCOCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024429571	0	52	0.0	-73.41	439.12	-0.60	-74.01
C[NH+](C)CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429576	0	48	0.0	-71.97	407.67	-1.43	-73.40
C[C@@H](C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024429582	0	51	0.0	-70.22	425.78	-1.03	-71.25
CC1CC[N@@H+]1CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429595	1	52	0.0	-69.52	433.46	-0.61	-70.13
CC1CC[N@H+]1CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429595	1	52	0.0	-70.48	439.01	-0.35	-70.83
C[NH+](C)CC=CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429596	0	52	0.0	-76.47	443.64	-0.21	-76.68
CC[NH+](CC)CC(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429609	0	54	0.0	-69.86	439.26	-0.35	-70.21
O=C(CSC1=NNC(=O)[N-]1)NCCOCCCNC(=O)C[NH+]1CCC1	REAL300024429614	1	49	0.0	-71.66	417.77	-1.00	-72.66
CC(C(=O)NCCCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024429649	1	52	0.0	-69.73	437.68	-0.49	-70.22
NC(=[NH2+])SCC(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429700	0	46	0.0	-73.31	415.59	-4.48	-77.79
C[N@@H+]1CCC[C@H]1C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429747	0	52	0.0	-68.81	433.97	-0.35	-69.16
C[N@H+]1CCC[C@H]1C(=O)NCCOCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024429747	1	52	0.0	-71.06	427.64	-0.87	-71.93
CN(C(=O)C1CCC[N@@H+]1C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024429948	0	52	0.0	-67.47	413.15	2.66	-64.81
CN(C(=O)C1CCC[N@H+]1C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024429948	1	52	0.0	-67.30	410.03	2.53	-64.77
CN(C(=O)C1C[N@H+](C)CCO1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024429972	1	53	0.0	-73.69	418.90	2.18	-71.51
CN(C(=O)C1C[N@@H+](C)CCO1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024429972	1	53	0.0	-79.03	425.86	2.37	-76.66
CC1=[NH+]C=CN1CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430111	1	50	0.0	-63.14	423.30	3.73	-59.41
C[C@@H]1[C@H](C(=O)N(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024430129	0	55	0.0	-71.87	429.68	3.11	-68.76
C[C@@H]1[C@H](C(=O)N(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024430129	1	55	0.0	-70.67	435.76	3.38	-67.29
CN(C(=O)C1([NH+](C)C)CCC1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430149	0	55	0.0	-65.60	420.88	3.09	-62.51
CC(C)[C@@H](C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024430151	0	57	0.0	-64.48	435.56	3.71	-60.77
CN(C(=O)C[N@H+](C)C1CCC1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430160	0	55	0.0	-65.61	437.12	3.95	-61.66
CN(C(=O)C[N@@H+](C)C1CCC1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430160	1	55	0.0	-66.11	437.22	3.96	-62.15
CN(C(=O)C1CC[NH+](C)CC1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430184	0	55	0.0	-73.52	431.20	3.57	-69.95
CN(C(=O)C1CCCC[N@@H+]1C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430190	0	55	0.0	-64.42	418.53	3.07	-61.35
CN(C(=O)C1CCCC[N@H+]1C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430190	1	55	0.0	-62.22	429.61	3.50	-58.72
CC1=C[NH+]=CN1CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430207	1	50	0.0	-65.10	420.76	4.32	-60.78
CN(C(=O)CC1CC[N@H+](C)C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430217	0	55	0.0	-69.40	435.97	3.62	-65.78
CN(C(=O)CC1CC[N@@H+](C)C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430217	1	55	0.0	-67.72	440.44	3.72	-64.00
CCC(C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024430220	0	54	0.0	-66.55	416.91	2.83	-63.72
CN(C(=O)CCCC[NH+](C)C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430234	0	57	0.0	-69.08	459.03	4.30	-64.78
CC(C)C(C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024430237	0	57	0.0	-65.52	434.34	3.51	-62.01
CCC[N@H+](C)CCC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430238	0	57	0.0	-69.35	451.71	3.99	-65.36
CCC[N@@H+](C)CCC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430238	1	57	0.0	-69.45	455.26	4.12	-65.33
CCC[N@H+](C)CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430239	0	54	0.0	-67.91	430.22	3.39	-64.52
CCC[N@@H+](C)CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430239	1	54	0.0	-67.88	433.11	3.54	-64.34
CN(C(=O)[C@H]1CCC[N@@H+]1C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430254	0	52	0.0	-64.99	413.68	2.88	-62.11
CN(C(=O)[C@H]1CCC[N@H+]1C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430254	1	52	0.0	-67.95	409.75	2.51	-65.44
CC[NH+](CC)CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430266	0	54	0.0	-66.09	425.25	3.18	-62.91
CN(C(=O)C1(C[NH+](C)C)CC1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430320	0	55	0.0	-70.36	440.54	3.64	-66.72
CN(C(=O)C1CC[NH+](C)CC1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430342	0	55	0.0	-73.52	431.20	3.57	-69.95
CC(C)[C@H](C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024430357	0	57	0.0	-67.35	429.32	4.03	-63.32
CC[N@H+](C)CCC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430384	0	54	0.0	-68.84	433.77	3.37	-65.47
CC[N@@H+](C)CCC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430384	1	54	0.0	-68.67	433.77	3.38	-65.29
CC1CCC[N@@H+]1CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430394	0	55	0.0	-64.26	429.70	3.37	-60.89
CC1CCC[N@H+]1CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430394	1	55	0.0	-65.04	438.81	3.78	-61.26
CC1CC[N@H+](CC(=O)N(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024430395	0	55	0.0	-67.25	439.32	3.87	-63.38
CC1CC[N@@H+](CC(=O)N(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024430395	1	55	0.0	-67.31	436.21	3.74	-63.57
CC[C@@H](C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024430397	0	54	0.0	-67.30	413.68	3.04	-64.26
CN(C(=O)C[NH+](C)C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430433	0	48	0.0	-68.00	393.67	2.11	-65.89
CN(C(=O)C[N+]1=CN(C)C=C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430434	0	50	0.0	-65.48	422.22	5.50	-59.98
CN(C(=O)C1CCC[N@H+](C)C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430437	0	55	0.0	-72.28	431.18	3.53	-68.75
CN(C(=O)C1CCC[N@@H+](C)C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430437	1	55	0.0	-62.59	417.34	4.11	-58.48
CC(C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CCC1	REAL300024430444	1	52	0.0	-68.16	407.83	2.67	-65.49
CN(C(=O)C(C)(C)C[NH+](C)C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430447	0	57	0.0	-70.95	423.61	3.47	-67.48
CN(C(=O)C[N@H+](C)C1CC1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430454	0	52	0.0	-65.48	423.07	3.53	-61.95
CN(C(=O)C[N@@H+](C)C1CC1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430454	1	52	0.0	-64.54	422.94	3.51	-61.03
CN(C(=O)CC1C[NH+](C)C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430465	0	52	0.0	-68.83	425.11	2.97	-65.86
C[C@@H](C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024430477	0	51	0.0	-66.32	408.91	2.43	-63.89
CN(C(=O)CN=[N+]=[N-])C(CNC(=O)CSC1=NC(=O)NN1)C1CC1	REAL300024430484	0	42	0.0	-22.39	372.10	-2.21	-24.60
C[C@@H](C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024430515	0	51	0.0	-66.32	408.91	2.43	-63.89
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430518	0	55	0.0	-65.04	430.04	3.51	-61.53
CN(C(=O)[C@H]1CCCC[N@H+]1C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430518	1	55	0.0	-66.13	416.42	3.16	-62.97
CN(C(=O)C[NH+]1CCC1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430545	1	49	0.0	-67.90	401.10	2.41	-65.49
CN(C(=O)C=C1CC[N@H+](C)C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430554	0	53	0.0	-70.05	434.84	3.87	-66.18
CN(C(=O)C=C1CC[N@@H+](C)C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430554	1	53	0.0	-69.05	434.02	3.85	-65.20
C[C@H](C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024430572	0	51	0.0	-66.09	406.03	2.34	-63.75
CC1C[NH+](CC(=O)N(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024430588	1	52	0.0	-67.76	421.08	3.15	-64.61
CN(C(=O)C[N@H+](C)CCO)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430601	1	52	0.0	-67.53	419.08	-0.58	-68.11
CN(C(=O)C[N@@H+](C)CCO)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430601	1	52	0.0	-68.08	418.86	-0.59	-68.67
CC(CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024430613	0	57	0.0	-68.10	450.85	4.16	-63.94
CC[N@H+](C)CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430615	0	51	0.0	-67.48	408.73	2.65	-64.83
CC[N@@H+](C)CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430615	1	51	0.0	-67.47	411.61	2.80	-64.67
CC[N@H+](CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024430625	0	55	0.0	-64.39	439.58	4.01	-60.38
CC[N@@H+](CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024430625	1	55	0.0	-64.63	439.75	4.11	-60.52
CC[NH+](CC)CCC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430631	0	57	0.0	-67.86	451.62	4.09	-63.77
CN(C(=O)C[NH+]1CC(C)(C)C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430639	1	55	0.0	-67.71	441.60	3.60	-64.11
CN(C(=O)C=CC[NH+](C)C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430646	0	52	0.0	-71.52	430.43	3.42	-68.10
CC(CCC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024430663	0	57	0.0	-66.30	451.02	3.91	-62.39
CC[N@@H+]1CCC1C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430667	1	52	0.0	-66.40	414.39	2.68	-63.72
CC[N@H+]1CCC1C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430667	1	52	0.0	-64.47	414.57	2.63	-61.84
C=CCC(C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024430688	0	55	0.0	-65.01	437.01	3.67	-61.34
CN(C(=O)C[NH+]1CC2CC2C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430696	0	53	0.0	-68.02	426.33	3.86	-64.16
CCCC(C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024430701	0	57	0.0	-67.67	444.21	3.95	-63.72
CN(C(=O)C(C)(C)[NH+](C)C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430703	0	54	0.0	-66.64	413.69	2.87	-63.77
CN(C(=O)C1CCCC[N@@H+]1C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430713	0	55	0.0	-64.42	418.53	3.07	-61.35
CN(C(=O)C1CCCC[N@H+]1C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430713	1	55	0.0	-62.22	429.61	3.50	-58.72
CN(C(=O)C1([NH+](C)C)CC1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430749	0	52	0.0	-70.32	414.97	2.84	-67.48
CN(C(=O)CC[NH+]1CCCC1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430750	0	55	0.0	-68.48	442.00	3.88	-64.60
CN(C(=O)C12CC(C1)C[N@@H+]2C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430760	0	53	0.0	-69.09	420.93	3.02	-66.07
CN(C(=O)C12CC(C1)C[N@H+]2C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430760	1	53	0.0	-69.80	416.23	3.22	-66.58
CC(C[NH+](C)C)C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430795	0	54	0.0	-70.93	423.86	2.90	-68.03
CC(C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CC(C)C1	REAL300024430815	0	55	0.0	-65.51	431.30	3.36	-62.15
CC1CC[N@@H+]1CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430816	1	52	0.0	-65.89	425.17	3.19	-62.70
CC1CC[N@H+]1CC(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430816	1	52	0.0	-65.43	419.45	2.91	-62.52
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430847	0	55	0.0	-69.80	439.50	3.70	-66.10
CC(CC[NH+](C)C)C(=O)N(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430848	0	57	0.0	-69.93	445.53	3.53	-66.40
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1CCC[N@@H+]1C)C1CC1	REAL300024431017	0	52	0.0	-61.07	415.00	2.81	-58.26
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1CCC[N@H+]1C)C1CC1	REAL300024431017	1	52	0.0	-59.49	423.13	3.44	-56.05
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1C[N@H+](C)CCO1)C1CC1	REAL300024431043	1	53	0.0	-66.30	433.33	2.83	-63.47
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1C[N@@H+](C)CCO1)C1CC1	REAL300024431043	1	53	0.0	-65.15	425.40	2.56	-62.59
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)CC1CC[N@H+](C)C1)C1CC1	REAL300024431193	0	55	0.0	-64.94	442.28	3.97	-60.97
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)CC1CC[N@@H+](C)C1)C1CC1	REAL300024431193	1	55	0.0	-64.80	443.61	3.93	-60.87
CCC(C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024431196	0	54	0.0	-59.48	424.98	3.14	-56.34
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)CCCC[NH+](C)C)C1CC1	REAL300024431206	0	57	0.0	-66.05	460.50	4.41	-61.64
CC(C)C(C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024431209	0	57	0.0	-61.22	444.22	4.43	-56.79
CCC[N@H+](C)CCC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431210	0	57	0.0	-64.33	456.73	4.20	-60.13
CCC[N@@H+](C)CCC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431210	1	57	0.0	-64.31	456.73	4.22	-60.09
CCC[N@H+](C)CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431211	0	54	0.0	-62.53	434.36	3.68	-58.85
CCC[N@@H+](C)CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431211	1	54	0.0	-62.51	434.37	3.67	-58.84
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1(C[NH+](C)C)CC1)C1CC1	REAL300024431250	0	55	0.0	-61.31	446.61	4.08	-57.23
CC[N@H+](C)CCC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431256	0	54	0.0	-63.11	436.91	3.59	-59.52
CC[N@@H+](C)CCC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431256	1	54	0.0	-63.76	435.23	3.47	-60.29
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1CC[NH+](C)CC1)C1CC1	REAL300024431278	0	55	0.0	-64.54	439.72	3.92	-60.62
CC(C)[C@H](C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024431293	0	57	0.0	-59.24	440.41	3.70	-55.54
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1([NH+](C)C)CCC1)C1CC1	REAL300024431315	0	55	0.0	-58.27	427.66	3.92	-54.35
CC1CCC[N@@H+]1CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431339	0	55	0.0	-58.64	442.84	4.03	-54.61
CC1CCC[N@H+]1CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431339	1	55	0.0	-58.94	441.97	4.16	-54.78
CC(C)[C@@H](C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024431350	0	57	0.0	-58.96	438.82	3.73	-55.23
CC1CC[N@H+](CC(=O)NCC(C2CC2)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024431358	0	55	0.0	-60.70	442.04	4.11	-56.59
CC1CC[N@@H+](CC(=O)NCC(C2CC2)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024431358	1	55	0.0	-60.62	441.31	4.05	-56.57
CC[C@@H](C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024431360	0	54	0.0	-59.58	424.76	3.18	-56.40
CC1=[NH+]C=CN1CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431397	1	50	0.0	-60.58	424.57	3.88	-56.70
CC1=C[NH+]=CN1CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431415	1	50	0.0	-62.95	423.85	4.57	-58.38
C[C@@H]1[C@H](C(=O)NCC(C2CC2)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024431416	0	55	0.0	-62.83	433.88	3.56	-59.27
C[C@@H]1[C@H](C(=O)NCC(C2CC2)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024431416	1	55	0.0	-62.07	438.06	3.86	-58.21
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C[N@H+](C)C1CCC1)C1CC1	REAL300024431446	0	55	0.0	-61.00	441.25	4.24	-56.76
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C[N@@H+](C)C1CCC1)C1CC1	REAL300024431446	1	55	0.0	-60.76	441.35	4.25	-56.51
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1CC[NH+](C)CC1)C1CC1	REAL300024431452	0	55	0.0	-64.54	439.72	3.92	-60.62
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1	REAL300024431465	0	52	0.0	-59.47	422.87	3.42	-56.05
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1	REAL300024431465	1	52	0.0	-60.38	416.82	2.92	-57.46
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1CCCC[N@@H+]1C)C1CC1	REAL300024431508	0	55	0.0	-60.17	429.46	3.81	-56.36
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1CCCC[N@H+]1C)C1CC1	REAL300024431508	1	55	0.0	-59.10	426.53	3.59	-55.51
CC1C(C(=O)NCC(C2CC2)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024431537	0	55	0.0	-62.19	439.03	3.82	-58.37
CC1C(C(=O)NCC(C2CC2)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024431537	1	55	0.0	-62.05	438.02	3.87	-58.18
C[C@@H](C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024431578	0	51	0.0	-60.36	412.89	2.62	-57.74
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)CC[NH+]1CCCC1)C1CC1	REAL300024431596	0	55	0.0	-63.24	443.47	4.00	-59.24
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C[N@H+](C)CCO)C1CC1	REAL300024431601	1	52	0.0	-62.22	424.05	-0.20	-62.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C[N@@H+](C)CCO)C1CC1	REAL300024431601	1	52	0.0	-62.39	423.04	-0.31	-62.70
CC1C[NH+](CC(=O)NCC(C2CC2)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024431644	1	52	0.0	-62.45	425.21	3.43	-59.02
CC[N@H+](C)CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431676	0	51	0.0	-62.16	412.87	2.94	-59.22
CC[N@@H+](C)CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431676	1	51	0.0	-62.16	412.87	2.93	-59.23
CC(CCC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024431729	0	57	0.0	-64.42	448.58	4.01	-60.41
CC[N@H+](CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024431734	0	55	0.0	-59.42	441.18	4.22	-55.20
CC[N@@H+](CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024431734	1	55	0.0	-58.80	440.60	4.22	-54.58
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C12CC(C1)C[N@@H+]2C)C1CC1	REAL300024431747	0	53	0.0	-58.87	425.14	3.64	-55.23
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C12CC(C1)C[N@H+]2C)C1CC1	REAL300024431747	1	53	0.0	-58.07	428.02	3.57	-54.50
CC(C[NH+](C)C)C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431756	0	54	0.0	-64.06	433.54	3.52	-60.54
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1([NH+](C)C)CC1)C1CC1	REAL300024431762	0	52	0.0	-59.09	417.82	3.84	-55.25
C[C@H](C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024431772	0	51	0.0	-60.75	412.69	2.64	-58.11
CC[N@@H+]1CCC1C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431775	1	52	0.0	-59.34	419.28	2.92	-56.42
CC[N@H+]1CCC1C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431775	1	52	0.0	-59.18	424.61	3.16	-56.02
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1=C[NH+]=CC=C1N)C1CC1	REAL300024431786	0	48	0.0	-57.78	401.97	0.67	-57.11
CCCC(C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024431790	0	57	0.0	-61.66	450.20	4.18	-57.48
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C(C)(C)[NH+](C)C)C1CC1	REAL300024431793	0	54	0.0	-59.24	422.67	3.29	-55.95
CC(CC[NH+](C)C)C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024431802	0	57	0.0	-65.57	455.17	4.14	-61.43
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C[NH+]1CC2CC2C1)C1CC1	REAL300024431861	0	53	0.0	-61.22	431.30	4.25	-56.97
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1CCCC[N@@H+]1C)C1CC1	REAL300024431869	0	55	0.0	-60.17	429.46	3.81	-56.36
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1CCCC[N@H+]1C)C1CC1	REAL300024431869	1	55	0.0	-59.10	426.53	3.59	-55.51
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C=C1CC[N@H+](C)C1)C1CC1	REAL300024431894	0	53	0.0	-66.77	428.97	3.60	-63.17
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C=C1CC[N@@H+](C)C1)C1CC1	REAL300024431894	1	53	0.0	-66.72	429.85	3.60	-63.12
CN(C(=O)CSC1=NC(=O)NN1)C(CNC(=O)CN=[N+]=[N-])C1CC1	REAL300024431901	0	42	0.0	-21.23	370.65	-2.21	-23.44
CCC1C[NH+](CC(=O)NCC(C2CC2)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024431917	1	55	0.0	-63.14	447.79	4.12	-59.02
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1	REAL300024431922	0	52	0.0	-60.74	416.80	2.92	-57.82
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1	REAL300024431922	1	52	0.0	-60.29	420.93	3.28	-57.01
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CC1	REAL300024431962	0	55	0.0	-63.57	446.53	4.10	-59.47
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C[NH+]1CCCCC1)C1CC1	REAL300024432003	0	55	0.0	-60.78	438.53	4.25	-56.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1CCC[N@H+](C)C1)C1CC1	REAL300024432004	0	55	0.0	-63.15	441.38	4.00	-59.15
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1CCC[N@@H+](C)C1)C1CC1	REAL300024432004	1	55	0.0	-63.80	439.72	3.89	-59.91
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C[N+]1=CN(C)C=C1)C1CC1	REAL300024432005	0	50	0.0	-61.27	426.36	5.77	-55.50
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C[N@H+](C)C1CC1)C1CC1	REAL300024432015	0	52	0.0	-60.23	424.40	3.67	-56.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C[N@@H+](C)C1CC1)C1CC1	REAL300024432015	1	52	0.0	-59.46	426.08	3.79	-55.67
CC(CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024432023	0	57	0.0	-65.45	452.32	4.26	-61.19
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)CC1C[NH+](C)C1)C1CC1	REAL300024432072	0	52	0.0	-64.63	426.57	3.08	-61.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C[NH+](C)C)C1CC1	REAL300024432079	0	48	0.0	-63.13	395.13	2.26	-60.87
C[C@@H](C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024432087	0	51	0.0	-60.36	412.89	2.62	-57.74
CC(C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024432101	1	55	0.0	-60.20	443.05	4.02	-56.18
CC1CC[N@@H+]1CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024432102	1	52	0.0	-60.35	428.09	3.49	-56.86
CC1CC[N@H+]1CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024432102	1	52	0.0	-61.39	426.64	3.35	-58.04
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C=CC[NH+](C)C)C1CC1	REAL300024432104	0	52	0.0	-66.32	429.63	3.39	-62.93
CC[NH+](CC)CC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024432121	0	54	0.0	-60.69	430.54	3.61	-57.08
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C[NH+]1CCC1)C1CC1	REAL300024432126	1	49	0.0	-62.58	405.23	2.69	-59.89
CC[NH+](CC)CCC(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024432144	0	57	0.0	-62.70	452.73	4.18	-58.52
CC(C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024432172	1	52	0.0	-59.04	424.05	3.18	-55.86
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C(C)(C)C[NH+](C)C)C1CC1	REAL300024432176	0	57	0.0	-63.22	445.68	4.02	-59.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1	REAL300024432196	0	55	0.0	-59.96	437.27	3.87	-56.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1	REAL300024432196	1	55	0.0	-59.14	426.51	3.59	-55.55
C=CCC(C(=O)NCC(C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024432215	0	55	0.0	-59.62	438.76	3.71	-55.91
CN(C(=O)CSC(N)=[NH2+])C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024432238	0	46	0.0	-68.99	401.59	-0.86	-69.85
CCC1C[NH+](CC(=O)N(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024432293	1	55	0.0	-68.73	443.64	3.85	-64.88
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024432297	0	52	0.0	-64.15	409.44	2.73	-61.42
CN(C(=O)[C@@H]1CCC[N@H+]1C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024432297	1	52	0.0	-63.47	415.68	2.86	-60.61
CN(C(=O)C[NH+]1CCCCC1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024432304	0	55	0.0	-67.49	432.72	3.86	-63.63
CC1C(C(=O)N(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024432308	0	55	0.0	-67.61	431.57	3.19	-64.42
CC1C(C(=O)N(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024432308	1	55	0.0	-69.99	427.59	3.28	-66.71
CC(CN(C)C(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432514	0	48	0.0	-58.76	370.58	1.66	-57.10
CC(CN(C)C(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432514	1	48	0.0	-60.11	373.85	1.72	-58.39
CC(CN(C)C(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432538	1	49	0.0	-54.77	379.40	1.32	-53.45
CC(CN(C)C(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432538	1	49	0.0	-73.25	388.59	1.08	-72.17
CC(CN(C)C(=O)C(C)[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432693	0	57	0.0	-61.90	427.82	3.65	-58.25
CC(CN(C)C(=O)C1CCCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432695	0	57	0.0	-56.70	429.86	3.24	-53.46
CC(CN(C)C(=O)C1CCCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432695	1	57	0.0	-60.16	435.50	3.47	-56.69
CC(CN(C)C(=O)C1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432713	0	54	0.0	-67.71	414.44	3.40	-64.31
CC(CN(C)C(=O)C1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432713	1	54	0.0	-68.04	416.29	3.33	-64.71
CC(CN(C)C(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432728	0	55	0.0	-61.41	427.26	3.65	-57.76
CC(CN(C)C(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432728	1	55	0.0	-62.29	427.55	3.68	-58.61
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432745	1	52	0.0	-63.60	429.36	3.70	-59.90
CC1=[NH+]C=CN1CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432768	1	46	0.0	-65.91	394.42	2.57	-63.34
CC(CN(C)C(=O)CCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432782	0	57	0.0	-69.02	448.76	4.20	-64.82
CC(CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432795	0	57	0.0	-68.83	427.12	3.31	-65.52
CC(CN(C)C(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432803	0	52	0.0	-62.49	395.49	2.45	-60.04
CC(CN(C)C(=O)C1CCCC2CCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432836	0	55	0.0	-65.46	419.81	3.51	-61.95
CC(CN(C)C(=O)C1CCCC2CCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432836	1	55	0.0	-67.27	420.29	3.37	-63.90
CC(CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432846	0	51	0.0	-60.73	381.64	2.54	-58.19
CC(CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432846	1	51	0.0	-60.56	388.03	2.78	-57.78
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024432850	0	54	0.0	-67.65	417.39	2.51	-65.14
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024432850	1	54	0.0	-66.29	419.89	3.06	-63.23
CC[N@@H+]1CCOC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024432859	1	52	0.0	-61.99	408.02	1.69	-60.30
CC[N@H+]1CCOC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024432859	1	52	0.0	-61.95	407.33	1.71	-60.24
CC[NH+](CC)CC(F)C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432896	0	53	0.0	-67.06	424.79	2.74	-64.32
CC(CN(C)C(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432952	0	54	0.0	-63.29	420.44	2.84	-60.45
CC(CN(C)C(=O)CCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432956	0	54	0.0	-69.07	433.54	3.54	-65.53
C#CC[NH+]1CCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024432960	0	53	0.0	-73.90	428.02	3.53	-70.37
CC(CN(C)C(=O)CC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432961	0	54	0.0	-68.84	427.26	3.40	-65.44
CC[N@@H+]1CCCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432965	0	54	0.0	-66.19	411.16	2.72	-63.47
CC[N@H+]1CCCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432965	1	54	0.0	-62.73	421.39	3.29	-59.44
CC(C)C[N@@H+]1CCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024432977	0	57	0.0	-66.85	445.02	3.81	-63.04
CC(C)C[N@H+]1CCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024432977	1	57	0.0	-69.09	449.11	3.80	-65.29
CC(CN(C)C(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432980	0	51	0.0	-68.83	393.65	2.19	-66.64
CC(CN(C)C(=O)CC1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432982	0	57	0.0	-64.15	434.66	3.12	-61.03
CC(CN(C)C(=O)CC1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432982	1	57	0.0	-53.68	429.82	3.58	-50.10
CC(CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024432992	0	53	0.0	-66.86	404.94	2.64	-64.22
CC(CN(C)C(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433027	0	51	0.0	-63.30	409.48	3.04	-60.26
CC(CN(C)C(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433027	1	51	0.0	-66.07	411.22	2.93	-63.14
CC(CN(C)C(=O)C(C)[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433068	0	57	0.0	-60.58	433.47	3.28	-57.30
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433118	1	50	0.0	-62.16	409.32	2.72	-59.44
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433118	1	50	0.0	-61.10	412.04	3.19	-57.91
CC(CN(C)C(=O)CCC1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433123	0	54	0.0	-61.42	425.29	3.13	-58.29
CC(CN(C)C(=O)CCC1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433123	1	54	0.0	-63.67	425.26	3.13	-60.54
CC(CN(C)C(=O)C12CCC[NH+](CCC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433130	0	55	0.0	-69.49	413.01	2.62	-66.87
CC(CN(C)C(=O)C1CCC2CCCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433133	0	55	0.0	-63.31	427.66	3.74	-59.57
CC(CN(C)C(=O)C1CCC2CCCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433133	1	55	0.0	-58.91	427.70	3.86	-55.05
CC(CN(C)C(=O)CCCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433147	0	57	0.0	-69.89	455.04	4.32	-65.57
CC(CN(C)C(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433156	0	51	0.0	-65.74	404.07	2.56	-63.18
CC(CN(C)C(=O)C1=NOC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433182	1	50	0.0	-76.63	419.28	2.26	-74.37
CC(CN(C)C(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433204	0	51	0.0	-64.02	392.13	2.07	-61.95
CC(CN(C)C(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433204	1	51	0.0	-66.98	402.60	2.45	-64.53
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433221	0	57	0.0	-64.33	448.94	3.96	-60.37
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433221	1	57	0.0	-60.52	417.86	3.29	-57.23
CC(CN(C)C(=O)C1=CN2C=[NH+]C=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433302	0	46	0.0	-74.69	398.92	4.35	-70.34
CC1=[NH+]C=CN1CCCC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433308	1	52	0.0	-58.82	434.33	4.02	-54.80
CC(CN(C)C(=O)CC[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433312	1	52	0.0	-67.19	418.36	1.12	-66.07
CC1=C[NH+]=CN1CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433334	1	46	0.0	-59.59	392.07	3.37	-56.22
CC(CN(C)C(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433365	0	52	0.0	-60.21	400.35	2.47	-57.74
CC(CN(C)C(=O)C1CCCC([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433384	0	57	0.0	-69.78	439.16	3.60	-66.18
CC(CN(C)C(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433386	0	51	0.0	-69.34	410.16	2.60	-66.74
CC(CN(C)C(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433386	1	51	0.0	-63.27	409.62	2.69	-60.58
CC(CN(C)C(=O)C1=C[NH+]=CC=C1N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433396	0	50	0.0	-75.78	414.98	0.79	-74.99
CCC(C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024433400	0	50	0.0	-64.78	396.22	2.04	-62.74
CC(CN(C)C(=O)CC1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433408	0	57	0.0	-65.70	427.19	3.54	-62.16
CC(CN(C)C(=O)C1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433438	1	46	0.0	-73.67	390.64	4.13	-69.54
CC(CN(C)C(=O)CCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433481	0	53	0.0	-65.26	428.72	3.26	-62.00
CC(C)C(C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024433497	0	53	0.0	-70.48	408.70	2.45	-68.03
CCC[N@H+](C)CCC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433499	0	53	0.0	-65.60	424.95	3.08	-62.52
CCC[N@@H+](C)CCC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433499	1	53	0.0	-66.10	424.69	3.07	-63.03
CCC[N@H+](C)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433504	0	50	0.0	-67.48	404.24	2.36	-65.12
CCC[N@@H+](C)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433504	1	50	0.0	-67.10	402.94	2.37	-64.73
CC(CN(C)C(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433524	0	52	0.0	-70.18	397.27	1.82	-68.36
CC(CN(C)C(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433524	1	52	0.0	-62.75	396.07	1.91	-60.84
CC(CN(C)C(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433554	0	48	0.0	-60.66	384.03	1.85	-58.81
CC(CN(C)C(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433554	1	48	0.0	-65.33	382.53	1.57	-63.76
CC[NH+](CC)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433607	0	50	0.0	-61.81	399.18	2.43	-59.38
CCC[N@@H+]1CCCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024433638	0	57	0.0	-63.45	436.33	3.91	-59.54
CCC[N@H+]1CCCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024433638	1	57	0.0	-60.72	437.83	4.02	-56.70
CC(CN(C)C(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433677	0	54	0.0	-65.84	426.15	3.54	-62.30
CC(CN(C)C(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433709	0	51	0.0	-70.95	410.42	2.70	-68.25
CC(CN(C)C(=O)C1CC[NH+](C(C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433768	0	57	0.0	-67.53	434.79	3.57	-63.96
CC(CN(C)C(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433783	0	51	0.0	-65.74	404.07	2.56	-63.18
CC(CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433801	0	53	0.0	-68.70	406.77	2.91	-65.79
CCC(C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024433831	0	56	0.0	-62.66	426.26	3.13	-59.53
CC[N@H+](C)CCC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433878	0	50	0.0	-64.82	403.46	2.34	-62.48
CC[N@@H+](C)CCC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433878	1	50	0.0	-65.26	403.19	2.33	-62.93
CC(CN(C)C(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433924	0	51	0.0	-64.28	402.41	2.35	-61.93
CC(CN(C)C(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433924	1	51	0.0	-61.69	409.12	2.72	-58.97
CC(CN(C)C(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433926	0	51	0.0	-66.43	408.92	2.70	-63.73
CC(CN(C)C(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433926	1	51	0.0	-66.58	408.97	2.71	-63.87
CC(CN(C)C(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433930	0	54	0.0	-66.61	430.56	3.20	-63.41
CC(CN(C)C(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433930	1	54	0.0	-63.42	428.33	3.31	-60.11
CC(CN(C)C(=O)C[N@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433931	0	56	0.0	-63.50	433.14	3.62	-59.88
CC(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433931	1	56	0.0	-67.30	431.55	3.36	-63.94
CC[C@@H](C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024433939	0	50	0.0	-59.34	386.37	1.84	-57.50
CC(CN(C)C(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434080	0	44	0.0	-67.65	363.71	0.96	-66.69
CC(CN(C)C(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434084	0	54	0.0	-67.75	416.07	3.00	-64.75
CC(CN(C)C(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434088	0	46	0.0	-66.71	394.94	4.47	-62.24
CC(CN(C)C(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434094	0	51	0.0	-63.91	397.16	2.51	-61.40
CC(CN(C)C(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434094	1	51	0.0	-63.59	404.38	2.53	-61.06
CC(CN(C)C(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434099	0	52	0.0	-59.92	416.78	3.38	-56.54
CC(CN(C)C(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434099	1	52	0.0	-64.93	412.03	2.94	-61.99
CC(CN(C)C(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434122	1	48	0.0	-64.93	390.58	1.90	-63.03
CCC(CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024434126	0	56	0.0	-67.45	435.14	3.60	-63.85
CC(CN(C)C(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434133	0	53	0.0	-61.45	400.16	2.24	-59.21
CC(CN(C)C(=O)C12CC(C1)C[N@@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434147	0	53	0.0	-63.27	416.50	3.62	-59.65
CC(CN(C)C(=O)C12CC(C1)C[N@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434147	1	53	0.0	-68.40	414.03	4.09	-64.31
CC(CN(C)C(=O)C[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434155	1	52	0.0	-71.27	416.53	-0.51	-71.78
CC(CN(C)C(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434156	0	48	0.0	-64.20	392.98	2.37	-61.83
CC(CN(C)C(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434156	1	48	0.0	-64.88	392.98	2.38	-62.50
CC(CN(C)C(=O)C(C)N1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434157	1	56	0.0	-68.51	437.27	0.96	-67.55
CC(CN(C)C(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434175	0	48	0.0	-65.65	394.81	1.93	-63.72
CC(CN(C)C(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434179	0	55	0.0	-66.95	436.91	3.90	-63.05
CC(CN(C)C(=O)C1CC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434179	1	55	0.0	-66.35	428.48	3.87	-62.48
CC(CN(C)C(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434187	0	54	0.0	-60.26	423.88	2.73	-57.53
CC(CN(C)C(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434187	1	54	0.0	-62.40	419.71	2.60	-59.80
CC(CN(C)C(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434198	0	47	0.0	-64.29	380.25	1.36	-62.93
CC(CN(C)C(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024434205	0	38	0.0	-25.97	340.67	-3.44	-29.41
CCC1CCC[N@H+](CC(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024434229	0	57	0.0	-67.30	437.67	4.05	-63.25
CCC1CCC[N@@H+](CC(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024434229	1	57	0.0	-67.17	444.69	4.08	-63.09
CC(CN(C)C(=O)C1=CC=C(C[NH+](C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434236	0	52	0.0	-78.58	426.22	2.43	-76.15
CC(CN(C)C(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434277	0	44	0.0	-65.35	392.06	1.13	-64.22
CC(CN(C)C(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434287	0	51	0.0	-66.38	413.54	-0.89	-67.27
CC(CN(C)C(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434287	1	51	0.0	-63.62	413.76	-0.89	-64.51
CC(CN(C)C(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434288	0	47	0.0	-64.29	380.25	1.36	-62.93
CC(CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434292	0	51	0.0	-58.03	399.17	2.51	-55.52
CC(CN(C)C(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434292	1	51	0.0	-66.48	396.53	2.26	-64.22
CC(CN(C)C(=O)C1C[N@@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434300	0	54	0.0	-59.83	411.55	-0.46	-60.29
CC(CN(C)C(=O)C1C[N@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434300	1	54	0.0	-60.61	408.42	-0.48	-61.09
CC(CN(C)C(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434360	1	45	0.0	-68.10	375.09	1.37	-66.73
CC(CN(C)C(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434383	0	49	0.0	-66.86	401.11	2.63	-64.23
CC(CN(C)C(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434383	1	49	0.0	-64.70	401.41	2.64	-62.06
CC(CN(C)C(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434413	0	51	0.0	-67.61	419.59	2.08	-65.53
C=CCC(C)(C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024434432	0	54	0.0	-62.61	411.14	2.60	-60.01
CC(CN(C)C(=O)C(O)CC[S+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434436	0	50	0.0	-68.01	424.94	0.40	-67.61
CC(CN(C)C(=O)C1(C)CC(O)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434461	0	52	0.0	-60.70	405.05	-1.47	-62.17
CC(CN(C)C(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434470	0	56	0.0	-68.36	431.24	0.40	-67.96
CC(CN(C)C(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434470	1	56	0.0	-68.36	431.24	0.40	-67.96
CC(CN(C)C(=O)CN1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434487	0	48	0.0	-67.56	396.26	2.04	-65.52
CC(CN(C)C(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434487	1	48	0.0	-67.56	396.26	2.04	-65.52
CC(CN(C)C(=O)CN(C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434509	0	48	0.0	-67.28	393.08	-1.61	-68.89
CC(CN(C)C(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434509	1	48	0.0	-67.16	392.87	-1.62	-68.78
CC(CN(C)C(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434509	1	48	0.0	-67.16	392.87	-1.62	-68.78
CC(CN(C)C(=O)C1C[N@@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434528	0	54	0.0	-70.90	406.89	0.29	-70.61
CC(CN(C)C(=O)C1C[N@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434528	1	54	0.0	-70.90	406.89	0.29	-70.61
CC[N@@H+]1CCCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024434533	0	54	0.0	-64.77	421.77	3.20	-61.57
CC[N@H+]1CCCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024434533	1	54	0.0	-64.77	421.77	3.20	-61.57
CC(CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024434535	0	53	0.0	-69.56	420.90	3.01	-66.55
CC[N@H+](C)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434542	0	47	0.0	-63.67	381.09	1.75	-61.92
CC(CN(C)C(=O)C12CCC[N@@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434561	0	55	0.0	-61.87	411.21	2.74	-59.13
CC(CN(C)C(=O)C12CCC[N@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434561	1	55	0.0	-61.87	411.21	2.74	-59.13
CC(CN(C)C(=O)C12CCC[N@@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434566	0	53	0.0	-61.24	398.88	2.38	-58.86
CC(CN(C)C(=O)C12CCC[N@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434566	1	53	0.0	-61.24	398.88	2.38	-58.86
CC[N@H+](CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024434585	0	51	0.0	-65.24	405.11	2.87	-62.37
CC[NH+](CC)CCC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434597	0	53	0.0	-68.44	421.67	2.93	-65.51
CC(CN(C)C(=O)CN1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434616	0	51	0.0	-67.50	414.13	2.53	-64.97
CC(CN(C)C(=O)C[NH+]1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434616	1	51	0.0	-67.50	414.13	2.53	-64.97
CC(CN(C)C(=O)C[N@@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434638	0	52	0.0	-66.01	419.64	-0.62	-66.63
CC(CN(C)C(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434645	0	48	0.0	-71.52	400.14	2.20	-69.32
CC(CN(C)C(=O)C(C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434662	0	54	0.0	-70.05	438.10	2.56	-67.49
CC(CN(C)C(=O)CCOCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434669	0	54	0.0	-70.89	440.54	1.80	-69.09
COCCN(C)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434670	0	51	0.0	-66.68	415.12	0.78	-65.90
COCC[N@H+](C)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434670	1	51	0.0	-63.93	413.43	0.90	-63.03
COCC[N@@H+](C)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434670	1	51	0.0	-63.93	413.43	0.90	-63.03
CC(CN(C)C(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434694	0	54	0.0	-76.80	406.89	2.78	-74.02
CC(CN(C)C(=O)CCC(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434697	0	53	0.0	-67.89	421.07	2.75	-65.14
CCN1CCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434703	0	48	0.0	-67.31	395.04	1.82	-65.49
CC[N@@H+]1CCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434703	1	48	0.0	-66.06	387.27	1.60	-64.46
CC[N@H+]1CCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434703	1	48	0.0	-66.06	387.27	1.60	-64.46
CC(CN(C)C(=O)C1CCC[N@@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434711	0	57	0.0	-62.39	438.51	3.74	-58.65
CC(CN(C)C(=O)C1CCC[N@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434711	1	57	0.0	-62.39	438.51	3.74	-58.65
CC(CN(C)C(=O)C[N@@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434722	0	52	0.0	-65.97	418.55	-0.48	-66.45
CC(CN(C)C(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434742	0	55	0.0	-62.29	427.55	3.68	-58.61
CC(CN(C)C(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434742	1	55	0.0	-62.29	427.55	3.68	-58.61
CC(CN(C)C(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434748	0	54	0.0	-72.53	412.99	2.54	-69.99
CC(CN(C)C(=O)C1=CC(C[NH+](C)C)=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434754	0	52	0.0	-67.05	424.93	2.74	-64.31
C=CCC(C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024434773	0	51	0.0	-62.18	406.18	2.33	-59.85
CC(CN(C)C(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434782	0	54	0.0	-66.26	422.96	2.64	-63.62
CC(CN(C)C(=O)C1CC(C)(C)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434782	1	54	0.0	-66.26	422.96	2.64	-63.62
CC(CN(C)C(=O)CCCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434785	0	56	0.0	-64.69	450.22	4.04	-60.65
CC(CN(C)C(=O)C1C[N@@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434815	0	54	0.0	-76.27	402.72	-0.67	-76.94
CCCC(C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024434816	0	53	0.0	-63.31	414.22	2.62	-60.69
CC(CN(C)C(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434820	0	50	0.0	-67.13	385.94	1.67	-65.46
CC(CN(C)C(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434853	0	51	0.0	-66.98	402.60	2.45	-64.53
CC(CN(C)C(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434884	0	52	0.0	-67.24	422.84	3.33	-63.91
CC(CN(C)C(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434884	1	52	0.0	-67.24	422.84	3.33	-63.91
CC(CN(C)C(=O)CC1([NH+]2CCCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434892	0	55	0.0	-60.98	427.34	3.78	-57.20
CC(CN(C)C(=O)C1=CC=C(CN(C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434929	0	51	0.0	-77.44	425.75	2.89	-74.55
CC(CN(C)C(=O)C1=CC=C(C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434929	1	51	0.0	-77.44	425.75	2.89	-74.55
CC(CN(C)C(=O)C=CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434943	0	52	0.0	-70.02	423.45	3.27	-66.75
CC(CN(C)C(=O)C1CC[NH+](C2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434961	0	55	0.0	-66.70	429.56	3.63	-63.07
CC(CN(C)C(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434980	0	51	0.0	-68.63	412.04	2.72	-65.91
CC(CN(C)C(=O)C1C[NH+]2CCN1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435012	0	51	0.0	-67.59	396.61	-0.94	-68.53
CC(CN(C)C(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435020	0	49	0.0	-68.03	390.30	2.35	-65.68
CC(CN(C)C(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435031	0	52	0.0	-62.18	409.49	3.16	-59.02
CC(CN(C)C(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435031	1	52	0.0	-62.18	409.49	3.16	-59.02
CC(CN(C)C(=O)C=C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435067	0	53	0.0	-65.91	419.02	3.38	-62.53
CC(CN(C)C(=O)CN1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435077	0	50	0.0	-65.18	403.53	2.96	-62.22
CC(CN(C)C(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435077	1	50	0.0	-65.22	403.21	2.95	-62.27
CC(CN(C)C(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435077	1	50	0.0	-65.22	403.21	2.95	-62.27
CC(CN(C)C(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435117	0	50	0.0	-66.49	398.23	2.08	-64.41
CC(CN(C)C(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435178	0	54	0.0	-61.46	415.12	3.18	-58.28
CC(CN(C)C(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435178	1	54	0.0	-58.36	415.46	3.07	-55.29
CC(CN(C)C(=O)C(C)[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435192	0	51	0.0	-68.37	405.29	2.26	-66.11
CC(CN(C)C(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435194	1	48	0.0	-61.68	389.14	1.88	-59.80
CC(CN(C)C(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435194	1	48	0.0	-63.69	394.72	2.15	-61.54
CC(CN(C)C(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435197	0	51	0.0	-66.59	415.96	0.07	-66.52
CC(CN(C)C(=O)C1C[N@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435221	1	52	0.0	-62.20	411.43	1.78	-60.42
CC(CN(C)C(=O)C1C[N@@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435221	1	52	0.0	-78.67	409.51	1.55	-77.12
CCC[N@@H+]1CCCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435230	0	57	0.0	-62.81	441.27	3.98	-58.83
CCC[N@H+]1CCCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435230	1	57	0.0	-61.74	443.53	3.95	-57.79
CC(CN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435286	0	51	0.0	-58.44	412.37	2.80	-55.64
CC(CN(C)C(=O)C(C)CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435293	0	53	0.0	-70.83	420.13	2.60	-68.23
C#CC[N@H+]1CCCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435314	1	53	0.0	-60.57	417.00	3.34	-57.23
C#CC[N@@H+]1CCCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435314	1	53	0.0	-59.05	424.27	3.70	-55.35
CC(CN(C)C(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435317	1	53	0.0	-67.55	422.85	0.47	-67.08
CC[NH+]1CCN(CC(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024435324	0	56	0.0	-59.94	439.85	1.23	-58.71
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C	REAL300024435494	0	48	0.0	-55.67	383.36	1.70	-53.97
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300024435494	1	48	0.0	-55.58	383.36	1.70	-53.88
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CCO1	REAL300024435520	1	49	0.0	-50.75	391.12	1.35	-49.40
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CCO1	REAL300024435520	1	49	0.0	-61.17	393.36	1.42	-59.75
CC1=[NH+]C=CN1CCCC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024435677	1	52	0.0	-57.09	434.33	4.05	-53.04
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCOCC1	REAL300024435681	1	52	0.0	-77.18	418.98	1.05	-76.13
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+]1CCC2	REAL300024435699	0	52	0.0	-74.30	405.54	3.11	-71.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024435707	1	46	0.0	-79.91	395.43	4.56	-75.35
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300024435753	0	57	0.0	-64.73	434.38	3.63	-61.10
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300024435755	0	51	0.0	-73.90	410.84	2.62	-71.28
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300024435755	1	51	0.0	-76.81	411.43	2.62	-74.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300024435765	0	50	0.0	-55.49	413.81	1.94	-53.55
CCC(C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024435769	0	50	0.0	-69.98	394.13	2.05	-67.93
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+](C)C	REAL300024435818	0	53	0.0	-75.52	429.07	3.17	-72.35
CC(C)C(C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024435836	0	53	0.0	-71.91	408.46	2.50	-69.41
CCC[N@H+](C)CCC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024435838	0	53	0.0	-75.01	426.59	2.98	-72.03
CCC[N@@H+](C)CCC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024435838	1	53	0.0	-57.26	424.95	3.09	-54.17
CCC[N@H+](C)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024435843	0	50	0.0	-71.72	402.94	2.45	-69.27
CCC[N@@H+](C)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024435843	1	50	0.0	-72.08	404.22	2.44	-69.64
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300024435863	0	52	0.0	-74.52	405.21	2.24	-72.28
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300024435863	1	52	0.0	-84.50	404.56	2.38	-82.12
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(C)CC1	REAL300024435912	0	54	0.0	-53.99	426.31	3.65	-50.34
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024435971	0	55	0.0	-56.08	430.61	3.89	-52.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024435971	1	55	0.0	-48.87	430.54	3.88	-44.99
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CC1	REAL300024435980	0	51	0.0	-70.88	416.97	2.69	-68.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C(C)C)CC1	REAL300024435989	0	57	0.0	-57.81	438.61	3.75	-54.06
CC[N@H+](C)CCC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024436005	0	50	0.0	-74.18	405.09	2.25	-71.93
CC[N@@H+](C)CCC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024436005	1	50	0.0	-56.81	403.45	2.35	-54.46
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300024436024	0	57	0.0	-71.22	426.19	3.37	-67.85
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+]2CCC1CC2	REAL300024436032	0	52	0.0	-61.10	404.46	2.94	-58.16
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024436091	0	51	0.0	-60.42	407.68	2.79	-57.63
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C(C)C)[NH+](C)C	REAL300024436109	0	53	0.0	-55.86	407.23	2.55	-53.31
CC[NH+](CC)CC(F)C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024436189	0	53	0.0	-75.23	422.98	2.78	-72.45
CC(C)C[N@@H+]1CCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024436215	0	57	0.0	-56.77	448.26	4.09	-52.68
CC(C)C[N@H+]1CCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024436215	1	57	0.0	-72.89	448.00	4.03	-68.86
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCC1	REAL300024436218	0	51	0.0	-67.52	398.57	2.53	-64.99
CCC(C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024436248	0	56	0.0	-64.61	429.84	3.35	-61.26
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300024436264	0	51	0.0	-52.47	401.78	2.53	-49.94
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1C	REAL300024436264	1	51	0.0	-68.77	403.67	2.42	-66.35
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCCCCC1	REAL300024436309	0	57	0.0	-51.16	434.18	3.92	-47.24
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C(C)C	REAL300024436311	0	57	0.0	-65.21	438.10	3.54	-61.67
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C(C)C	REAL300024436311	1	57	0.0	-65.83	430.69	3.61	-62.22
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C(C)C	REAL300024436329	0	54	0.0	-50.90	422.32	3.26	-47.64
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C(C)C	REAL300024436329	1	54	0.0	-51.38	422.31	3.27	-48.11
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCC[N@@H+]1C(C)C	REAL300024436335	0	57	0.0	-54.04	442.80	3.79	-50.25
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCC[N@H+]1C(C)C	REAL300024436335	1	57	0.0	-52.24	432.56	3.69	-48.55
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C(C)C)[NH+](C)C	REAL300024436345	0	53	0.0	-72.46	409.96	2.86	-69.60
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300024436363	0	51	0.0	-53.95	408.67	2.84	-51.11
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)C1	REAL300024436363	1	51	0.0	-53.45	408.61	2.89	-50.56
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024436367	0	54	0.0	-53.45	428.33	3.39	-50.06
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300024436367	1	54	0.0	-53.36	428.73	3.40	-49.96
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300024436368	0	56	0.0	-72.23	434.78	3.58	-68.65
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300024436368	1	56	0.0	-54.19	430.92	3.55	-50.64
CC[C@@H](C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024436376	0	50	0.0	-72.30	395.88	2.12	-70.18
CC1=[NH+]C=CN1CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024436535	1	46	0.0	-67.55	393.15	2.66	-64.89
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCCC1	REAL300024436549	0	57	0.0	-73.63	450.04	4.22	-69.41
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024436561	1	50	0.0	-77.71	424.11	2.08	-75.63
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024436587	1	52	0.0	-67.25	430.63	3.77	-63.48
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300024436613	0	55	0.0	-66.77	419.88	3.59	-63.18
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300024436613	1	55	0.0	-51.49	418.64	3.68	-47.81
CC[N@@H+]1CCOC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024436626	1	52	0.0	-53.41	418.55	2.24	-51.17
CC[N@H+]1CCOC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024436626	1	52	0.0	-71.07	411.78	1.97	-69.10
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024436664	0	46	0.0	-74.14	395.16	4.55	-69.59
CC1=C[NH+]=CN1CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024436668	1	46	0.0	-72.78	393.71	3.34	-69.44
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024436677	0	51	0.0	-78.51	401.63	2.01	-76.50
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024436677	1	51	0.0	-53.45	405.95	2.39	-51.06
CC[C@@H]1[C@@H](C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024436681	0	54	0.0	-54.85	419.79	2.84	-52.01
CC[C@@H]1[C@@H](C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024436681	1	54	0.0	-73.67	426.01	3.26	-70.41
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1C(C)CCC1C	REAL300024436691	0	54	0.0	-68.16	422.03	2.92	-65.24
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCC1	REAL300024436695	0	54	0.0	-73.23	434.82	3.56	-69.67
C#CC[NH+]1CCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024436700	0	53	0.0	-78.22	431.72	3.77	-74.45
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCC1	REAL300024436701	0	54	0.0	-56.26	426.64	3.54	-52.72
CC[N@@H+]1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024436706	0	54	0.0	-67.14	414.05	3.12	-64.02
CC[N@H+]1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024436706	1	54	0.0	-53.06	423.15	3.39	-49.67
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+](C)C)CCCC1	REAL300024436738	0	57	0.0	-56.57	427.18	3.57	-53.00
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCC1	REAL300024436849	0	51	0.0	-52.86	409.21	3.12	-49.74
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCC1	REAL300024436849	1	51	0.0	-69.06	409.93	3.03	-66.03
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1C(C)CCC1C	REAL300024436866	0	57	0.0	-65.58	433.07	3.52	-62.06
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+]1CCCC1	REAL300024436877	0	57	0.0	-59.64	454.41	4.45	-55.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024436886	0	51	0.0	-60.42	407.68	2.79	-57.63
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024436920	0	48	0.0	-53.76	389.70	2.20	-51.56
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300024436920	1	48	0.0	-69.01	384.98	1.58	-67.43
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024436939	1	50	0.0	-71.41	411.59	2.81	-68.60
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024436939	1	50	0.0	-52.75	415.88	3.42	-49.33
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@@H+]1C	REAL300024436944	0	54	0.0	-71.21	425.65	3.06	-68.15
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@H+]1C	REAL300024436944	1	54	0.0	-74.98	427.28	3.38	-71.60
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300024436951	0	55	0.0	-59.53	420.48	3.34	-56.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300024436954	0	55	0.0	-66.35	431.59	4.00	-62.35
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300024436954	1	55	0.0	-49.77	424.17	3.63	-46.14
CCC[N@@H+]1CCCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024437013	0	57	0.0	-63.73	439.28	4.17	-59.56
CCC[N@H+]1CCCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024437013	1	57	0.0	-55.92	446.83	4.16	-51.76
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024437046	0	51	0.0	-54.50	396.03	2.57	-51.93
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024437046	1	51	0.0	-53.07	396.02	2.57	-50.50
CC(C)C[N@@H+]1CCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437064	0	57	0.0	-71.54	442.68	3.70	-67.84
CC(C)C[N@H+]1CCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437064	1	57	0.0	-68.34	449.24	4.12	-64.22
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300024437115	0	51	0.0	-74.34	410.29	2.44	-71.90
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300024437115	1	51	0.0	-72.07	410.21	2.44	-69.63
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@@H+]1C	REAL300024437117	0	57	0.0	-72.14	445.11	3.96	-68.18
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@H+]1C	REAL300024437117	1	57	0.0	-78.39	437.68	3.76	-74.63
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024437194	0	54	0.0	-69.46	407.43	2.25	-67.21
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300024437194	1	54	0.0	-53.17	404.00	2.61	-50.56
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024437212	0	47	0.0	-71.73	382.77	1.43	-70.30
C=CCC(C)(C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024437226	0	54	0.0	-64.40	418.35	3.04	-61.36
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300024437246	0	51	0.0	-73.86	413.32	2.76	-71.10
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCO	REAL300024437256	1	48	0.0	-73.26	391.80	-1.52	-74.78
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCO	REAL300024437256	1	48	0.0	-71.74	391.58	-1.54	-73.28
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024437285	0	54	0.0	-53.35	411.47	0.45	-52.90
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CCC2	REAL300024437285	1	54	0.0	-86.62	410.60	0.85	-85.77
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300024437329	0	52	0.0	-61.33	422.50	3.47	-57.86
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300024437329	1	52	0.0	-68.85	422.84	3.37	-65.48
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)CC[S+](C)C	REAL300024437343	0	50	0.0	-76.29	428.56	0.70	-75.59
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024437361	0	52	0.0	-56.15	410.75	-0.78	-56.93
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300024437361	1	52	0.0	-52.64	408.44	-0.84	-53.48
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300024437370	0	56	0.0	-56.08	435.62	1.32	-54.76
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024437370	1	56	0.0	-70.65	433.84	0.78	-69.87
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)C1	REAL300024437398	1	48	0.0	-54.61	394.63	2.25	-52.36
CC[N@@H+]1CCCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024437404	0	54	0.0	-56.14	425.58	3.42	-52.72
CC[N@H+]1CCCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024437404	1	54	0.0	-70.93	425.94	3.32	-67.61
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300024437419	0	52	0.0	-67.65	419.61	3.48	-64.17
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300024437419	1	52	0.0	-49.82	413.28	2.99	-46.83
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+]1CCCC1	REAL300024437454	0	52	0.0	-76.76	425.55	3.33	-73.43
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300024437472	0	55	0.0	-57.27	436.94	4.21	-53.06
CC[N@H+](C)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437509	0	47	0.0	-71.75	382.72	1.70	-70.05
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC2C=CC1C2	REAL300024437552	0	50	0.0	-53.86	402.22	3.02	-50.84
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024437552	1	50	0.0	-52.07	402.14	3.11	-48.96
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300024437552	1	50	0.0	-52.07	402.14	3.11	-48.96
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300024437652	0	55	0.0	-52.79	420.36	3.53	-49.26
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CCCC2	REAL300024437652	1	55	0.0	-52.79	420.36	3.53	-49.26
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024437658	0	53	0.0	-69.68	403.10	3.02	-66.66
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300024437658	1	53	0.0	-69.68	403.10	3.02	-66.66
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)OCC[NH+](C)C	REAL300024437667	0	54	0.0	-72.85	439.37	2.79	-70.06
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCOCC[NH+](C)C	REAL300024437675	0	54	0.0	-74.55	440.54	1.83	-72.72
COCCN(C)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437677	0	51	0.0	-71.26	413.83	0.87	-70.39
COCC[N@H+](C)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437677	1	51	0.0	-73.70	414.05	0.88	-72.82
COCC[N@@H+](C)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437677	1	51	0.0	-73.70	414.05	0.88	-72.82
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC(C)[NH+](C)C	REAL300024437682	0	53	0.0	-72.89	420.99	2.77	-70.12
CC[N@H+](CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024437702	0	51	0.0	-52.47	409.46	3.17	-49.30
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300024437715	0	54	0.0	-71.92	402.98	0.26	-71.66
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024437735	0	49	0.0	-78.69	394.33	2.27	-76.42
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300024437748	0	52	0.0	-70.13	408.89	2.95	-67.18
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2CCC1C2	REAL300024437748	1	52	0.0	-70.13	408.89	2.95	-67.18
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)C[NH+](C)C	REAL300024437767	0	50	0.0	-63.74	401.91	2.41	-61.33
CCN1CCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437809	0	48	0.0	-69.98	388.56	1.77	-68.21
CC[N@@H+]1CCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437809	1	48	0.0	-70.47	388.28	1.68	-68.79
CC[N@H+]1CCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437809	1	48	0.0	-70.47	388.28	1.68	-68.79
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300024437819	0	57	0.0	-62.53	435.89	4.02	-58.51
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300024437819	1	57	0.0	-62.53	435.89	4.02	-58.51
CCC(C)(C)[NH2+]C(C)C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437829	0	56	0.0	-70.76	429.15	1.66	-69.10
C#CCN1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437866	0	53	0.0	-70.59	420.07	3.57	-67.02
C#CC[N@H+]1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437866	1	53	0.0	-68.05	421.56	3.66	-64.39
C#CC[N@@H+]1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437866	1	53	0.0	-68.05	421.56	3.66	-64.39
CCCC(C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024437877	0	53	0.0	-71.28	415.62	2.82	-68.46
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+](C)C	REAL300024437884	0	50	0.0	-76.07	387.01	2.04	-74.03
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)CC[NH+](C)C	REAL300024437902	0	53	0.0	-73.22	423.76	2.93	-70.29
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024437954	0	53	0.0	-75.22	418.13	4.12	-71.10
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024437981	0	54	0.0	-73.03	423.60	2.75	-70.28
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300024437981	1	54	0.0	-73.03	423.60	2.75	-70.28
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCCC[NH+](C)C	REAL300024437984	0	56	0.0	-74.92	450.57	3.95	-70.97
CCC[N@@H+]1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437990	0	57	0.0	-51.83	435.21	3.96	-47.87
CCC[N@H+]1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024437990	1	57	0.0	-51.83	435.21	3.96	-47.87
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCN(C)CC1	REAL300024437999	0	53	0.0	-59.64	422.49	0.67	-58.97
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC[NH+](C)CC1	REAL300024437999	1	53	0.0	-59.64	422.49	0.67	-58.97
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC(C)O1	REAL300024438075	0	52	0.0	-63.03	421.69	2.31	-60.72
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CC(C)O1	REAL300024438075	1	52	0.0	-53.50	415.19	2.30	-51.20
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300024438075	1	52	0.0	-53.50	415.19	2.30	-51.20
CCC1CCC[N@H+](CC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024438102	0	57	0.0	-53.61	437.31	4.23	-49.38
CCC1CCC[N@@H+](CC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024438102	1	57	0.0	-53.61	437.31	4.23	-49.38
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+]2CCCC2)CC1	REAL300024438133	0	55	0.0	-69.18	428.82	3.77	-65.41
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024438164	0	51	0.0	-54.50	396.03	2.57	-51.93
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024438164	1	51	0.0	-53.07	396.02	2.57	-50.50
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@H+](C)C1	REAL300024438259	0	49	0.0	-62.75	401.24	2.72	-60.03
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300024438259	1	49	0.0	-62.69	402.20	2.69	-60.00
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CNC1=CC=[NH+]C=C1	REAL300024438264	0	47	0.0	-73.43	400.71	0.30	-73.13
CC(CN(C)C(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300024438304	0	38	0.0	-26.41	340.68	-3.36	-29.77
CC[NH+]1CCN(CC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024438311	0	56	0.0	-58.67	439.84	1.33	-57.34
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1C[NH+]2CCC1CC2	REAL300024438314	0	53	0.0	-66.87	419.85	3.43	-63.44
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCCC1	REAL300024438344	0	54	0.0	-79.45	412.59	3.35	-76.10
CCC1C[NH+](CC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024438354	1	51	0.0	-55.09	415.74	3.00	-52.09
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+]2CCCC2)CCC1	REAL300024438357	0	55	0.0	-51.34	424.02	3.87	-47.47
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024438368	0	48	0.0	-73.42	383.67	1.59	-71.83
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024438368	1	48	0.0	-52.80	389.15	2.18	-50.62
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024438489	0	51	0.0	-55.07	413.10	2.87	-52.20
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC([NH+](C)C)CC1	REAL300024438500	0	57	0.0	-53.46	435.38	3.82	-49.64
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300024438501	0	54	0.0	-81.50	440.71	3.58	-77.92
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024438502	0	57	0.0	-61.76	435.65	3.84	-57.92
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@@H+]1C	REAL300024438503	0	52	0.0	-75.20	414.93	3.10	-72.10
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@H+]1C	REAL300024438503	1	52	0.0	-75.20	414.93	3.10	-72.10
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCC[NH+](C)C	REAL300024438553	0	51	0.0	-70.78	419.58	2.10	-68.68
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=CSC1=[NH2+]	REAL300024438590	0	44	0.0	-66.53	390.78	1.22	-65.31
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300024438654	0	54	0.0	-60.56	438.75	2.89	-57.67
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCCC1	REAL300024438684	0	57	0.0	-76.22	437.73	3.66	-72.56
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCC1	REAL300024438687	0	51	0.0	-71.79	407.10	2.92	-68.87
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C)C1	REAL300024438689	0	51	0.0	-73.83	407.00	2.57	-71.26
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C)C1	REAL300024438689	1	51	0.0	-72.77	409.59	2.66	-70.11
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCCC1	REAL300024438690	0	54	0.0	-54.90	414.43	3.20	-51.70
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N+]1=CN(C)C=C1	REAL300024438695	0	46	0.0	-55.15	394.32	4.66	-50.49
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024438710	1	51	0.0	-81.34	429.57	2.86	-78.48
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(O)CC1	REAL300024438725	1	52	0.0	-57.07	415.90	-0.33	-57.40
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CC1	REAL300024438729	1	48	0.0	-69.26	394.40	2.44	-66.82
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)N1CC[NH+](C)CC1	REAL300024438731	1	56	0.0	-61.06	436.35	0.98	-60.08
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+]1CCC(F)C1	REAL300024438733	1	51	0.0	-59.42	417.55	2.96	-56.46
CCOCC(N=[N+]=[N-])C(=O)NC(C)CN(C)C(=O)CSC1=NC(=O)NN1	REAL300024438749	0	48	0.0	-25.93	416.89	-2.67	-28.60
CC(CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024438755	0	53	0.0	-73.65	420.90	3.05	-70.60
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]2CCOCC12	REAL300024438767	0	53	0.0	-56.33	418.87	1.36	-54.97
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]2CCOCC12	REAL300024438767	1	53	0.0	-56.39	418.47	1.47	-54.92
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCCN1C	REAL300024438783	0	52	0.0	-56.35	406.48	0.82	-55.53
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@@H+]1C	REAL300024438783	1	52	0.0	-70.29	406.84	0.71	-69.58
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@H+]1C	REAL300024438783	1	52	0.0	-56.35	406.48	0.82	-55.53
CC[NH+]1CCN(CC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024438790	0	56	0.0	-58.67	439.84	1.33	-57.34
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)(O)C1	REAL300024438874	1	52	0.0	-54.22	418.95	-0.45	-54.67
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300024438904	0	48	0.0	-57.43	394.80	1.97	-55.46
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C1CCCC1	REAL300024438908	1	55	0.0	-72.02	430.27	3.48	-68.54
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+](C)C	REAL300024438916	0	44	0.0	-72.07	363.71	1.04	-71.03
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)CCO	REAL300024438940	0	51	0.0	-57.87	413.80	-0.87	-58.74
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)CCO	REAL300024438940	1	51	0.0	-73.73	415.40	-0.99	-74.72
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024438941	0	47	0.0	-71.73	382.77	1.43	-70.30
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@@H+]1C	REAL300024438958	0	54	0.0	-50.51	415.11	3.21	-47.30
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@H+]1C	REAL300024438958	1	54	0.0	-76.08	422.96	3.23	-72.85
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CC(C)C1	REAL300024438975	0	51	0.0	-52.83	412.29	2.84	-49.99
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC1C	REAL300024438977	0	48	0.0	-69.69	390.78	1.84	-67.85
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC1C	REAL300024438977	1	48	0.0	-52.93	394.35	2.26	-50.67
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC1C	REAL300024438977	1	48	0.0	-69.69	390.78	1.84	-67.85
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300024438988	0	48	0.0	-77.98	400.94	2.30	-75.68
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)(C)C1	REAL300024438998	1	51	0.0	-72.27	415.41	2.60	-69.67
CC1=C(C)[NH+]=C(CCC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024439011	1	52	0.0	-51.96	433.59	2.43	-49.53
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSCC[NH+](C)C	REAL300024439028	0	51	0.0	-78.94	430.60	2.97	-75.97
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1CO	REAL300024439050	1	52	0.0	-53.48	412.71	-0.78	-54.26
CC[NH+](CC)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024439054	0	50	0.0	-70.52	395.30	2.13	-68.39
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC1	REAL300024439064	1	45	0.0	-72.15	375.09	1.45	-70.70
CC[NH+](CC)CCC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024439102	0	53	0.0	-73.27	417.31	2.68	-70.59
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024439156	0	52	0.0	-77.19	430.08	2.31	-74.88
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300024439176	0	53	0.0	-57.15	421.89	1.46	-55.69
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@H+]2C1	REAL300024439176	1	53	0.0	-70.92	422.11	1.39	-69.53
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCC1	REAL300024439186	1	48	0.0	-54.37	393.32	2.09	-52.28
CCC(CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024439191	0	56	0.0	-73.99	435.22	3.52	-70.47
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C[NH+](C)C	REAL300024439199	0	53	0.0	-73.58	409.74	2.77	-70.81
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024439249	0	51	0.0	-66.67	406.97	2.65	-64.02
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024439249	1	51	0.0	-70.46	395.75	2.44	-68.02
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300024439261	0	54	0.0	-82.31	416.37	-0.06	-82.37
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CC2C	REAL300024439261	1	54	0.0	-74.81	416.50	0.01	-74.80
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC(O)C[NH+](C)C	REAL300024439281	0	51	0.0	-77.36	416.41	0.03	-77.33
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300024439283	0	55	0.0	-73.95	401.85	3.34	-70.61
C=CCC(C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024439311	0	51	0.0	-69.39	407.38	2.54	-66.85
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024439317	0	55	0.0	-56.08	430.61	3.89	-52.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024439317	1	55	0.0	-48.87	430.54	3.88	-44.99
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300024439328	0	54	0.0	-65.76	420.51	3.09	-62.67
CC(CN(C)C(=O)CSC(N)=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439353	0	42	0.0	-65.21	371.89	-1.97	-67.18
CC(CN(C)C(=O)C1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439389	0	57	0.0	-74.75	437.62	3.53	-71.22
CC(CN(C)C(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439390	0	54	0.0	-73.28	434.00	3.37	-69.91
CC(CN(C)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439391	0	57	0.0	-70.05	433.83	3.51	-66.54
CC(CN(C)C(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439392	0	52	0.0	-65.08	414.68	3.15	-61.93
CC(CN(C)C(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439392	1	52	0.0	-65.08	414.68	3.15	-61.93
CC(CN(C)C(=O)[C@@H](C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439413	0	54	0.0	-64.74	434.26	2.54	-62.20
CC(CN(C)C(=O)C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439436	0	55	0.0	-67.03	400.90	3.15	-63.88
CCC1C[NH+](CC(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024439526	1	51	0.0	-67.82	416.37	2.81	-65.01
CC(CN(C)C(=O)C1([NH+]2CCCC2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439528	0	55	0.0	-65.76	417.22	3.26	-62.50
CC(CN(C)C(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439535	1	48	0.0	-63.97	387.90	1.97	-62.00
CC(CN(C)C(=O)CC[N@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439542	1	51	0.0	-71.56	417.28	2.91	-68.65
CC(CN(C)C(=O)CC[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439556	0	57	0.0	-65.61	437.11	3.74	-61.87
CC(CN(C)C(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439558	0	51	0.0	-64.36	405.19	2.93	-61.43
CC(CN(C)C(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439566	0	51	0.0	-69.61	401.34	2.04	-67.57
CC(CN(C)C(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439566	1	51	0.0	-67.85	399.69	2.35	-65.50
CC(CN(C)C(=O)CCC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439568	0	57	0.0	-60.49	444.67	4.03	-56.46
CC(CN(C)C(=O)CCC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439568	1	57	0.0	-67.05	444.78	3.92	-63.13
CC(CN(C)C(=O)C1CC[N@@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439589	0	53	0.0	-73.89	420.39	1.11	-72.78
CC(CN(C)C(=O)C1CC[N@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439589	1	53	0.0	-70.09	420.46	1.10	-68.99
CC(CN(C)C(=O)CC1COCCN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439605	0	52	0.0	-61.00	408.12	0.66	-60.34
CC(CN(C)C(=O)CC1COCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439605	1	52	0.0	-60.95	406.84	0.67	-60.28
CC(CN(C)C(=O)CC1COCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439605	1	52	0.0	-61.00	408.12	0.66	-60.34
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024439612	1	52	0.0	-63.75	435.22	2.29	-61.46
CCOCC(N=[N+]=[N-])C(=O)N(C)CC(C)NC(=O)CSC1=NC(=O)NN1	REAL300024439616	0	48	0.0	-21.58	410.49	-2.76	-24.34
CC(CN(C)C(=O)CSCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439680	0	51	0.0	-74.70	430.61	2.96	-71.74
CC(CN(C)C(=O)C1CC2COCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439686	0	53	0.0	-62.98	420.68	1.34	-61.64
CC(CN(C)C(=O)C1CC2COCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439686	1	53	0.0	-68.98	418.53	1.18	-67.80
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300024439847	0	49	0.0	-69.67	385.77	1.68	-67.99
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C	REAL300024439847	1	49	0.0	-68.83	385.90	1.68	-67.15
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440012	0	55	0.0	-68.11	412.53	3.14	-64.97
CC(C)[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440012	1	55	0.0	-67.67	417.81	3.59	-64.08
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440033	1	47	0.0	-67.86	400.51	2.40	-65.46
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300024440052	0	53	0.0	-75.52	405.42	2.74	-72.78
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024440076	0	52	0.0	-72.28	404.11	2.47	-69.81
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024440076	1	52	0.0	-78.27	408.96	2.47	-75.80
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)CC[N@@H+]1C	REAL300024440078	0	55	0.0	-72.79	425.19	2.30	-70.49
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)CC[N@H+]1C	REAL300024440078	1	55	0.0	-70.61	428.48	2.80	-67.81
CCN1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024440082	0	53	0.0	-72.02	410.84	1.86	-70.16
CC[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024440082	1	53	0.0	-72.78	414.61	1.48	-71.30
CC[N@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024440082	1	53	0.0	-72.02	410.84	1.86	-70.16
CC1CCC(C)[NH+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440116	0	55	0.0	-67.13	428.41	2.68	-64.45
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300024440118	0	55	0.0	-72.23	440.90	3.35	-68.88
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300024440120	0	55	0.0	-75.59	430.65	3.69	-71.90
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300024440150	0	52	0.0	-69.38	417.19	2.77	-66.61
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300024440150	1	52	0.0	-69.11	417.30	2.76	-66.35
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1CCC[N@@H+]1C	REAL300024440201	0	55	0.0	-71.27	432.90	2.84	-68.43
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1CCC[N@H+]1C	REAL300024440201	1	55	0.0	-74.41	434.13	3.57	-70.84
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300024440214	0	52	0.0	-75.10	415.49	2.35	-72.75
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300024440274	1	53	0.0	-76.08	426.28	0.83	-75.25
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440284	1	47	0.0	-69.65	396.93	3.53	-66.12
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300024440301	0	52	0.0	-73.18	417.27	2.43	-70.75
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300024440301	1	52	0.0	-74.42	417.65	2.41	-72.01
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024440307	0	51	0.0	-69.50	400.20	1.80	-67.70
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCC[NH+](C)C	REAL300024440345	0	54	0.0	-74.05	436.37	2.95	-71.10
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440355	0	54	0.0	-77.06	428.23	3.21	-73.85
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440355	1	54	0.0	-73.84	432.67	2.77	-71.07
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440357	0	51	0.0	-70.83	406.39	2.60	-68.23
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440357	1	51	0.0	-71.73	410.26	2.20	-69.53
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300024440367	0	53	0.0	-76.74	403.38	1.59	-75.15
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300024440367	1	53	0.0	-73.04	401.14	1.94	-71.10
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300024440386	0	49	0.0	-67.57	390.39	2.08	-65.49
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300024440386	1	49	0.0	-69.79	389.64	1.28	-68.51
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440409	0	51	0.0	-68.95	398.76	2.25	-66.70
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC(C)CC1	REAL300024440454	0	55	0.0	-74.51	429.21	3.71	-70.80
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300024440467	0	52	0.0	-72.96	414.57	2.18	-70.78
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300024440503	0	52	0.0	-75.10	415.49	2.35	-72.75
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](CC)CC	REAL300024440528	0	57	0.0	-64.65	432.25	2.97	-61.68
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440556	0	51	0.0	-73.30	411.11	2.05	-71.25
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440556	1	51	0.0	-73.32	411.11	2.05	-71.27
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440576	0	52	0.0	-67.75	409.81	2.17	-65.58
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440576	1	52	0.0	-71.30	411.82	3.02	-68.28
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024440577	0	52	0.0	-70.04	412.38	2.94	-67.10
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024440577	1	52	0.0	-70.29	411.99	2.76	-67.53
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024440579	0	55	0.0	-73.20	431.66	3.47	-69.73
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300024440579	1	55	0.0	-69.72	432.63	3.45	-66.27
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300024440580	0	57	0.0	-71.00	441.21	3.36	-67.64
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300024440580	1	57	0.0	-71.57	438.87	3.19	-68.38
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024440586	0	51	0.0	-68.25	398.58	1.73	-66.52
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+](C)C	REAL300024440647	0	45	0.0	-71.30	367.18	1.19	-70.11
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300024440650	0	55	0.0	-70.77	421.91	2.85	-67.92
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300024440653	0	47	0.0	-67.89	398.47	4.67	-63.22
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300024440656	0	52	0.0	-75.06	408.40	2.62	-72.44
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300024440656	1	52	0.0	-65.67	405.18	2.31	-63.36
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300024440660	0	53	0.0	-65.43	420.45	3.53	-61.90
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300024440660	1	53	0.0	-65.55	417.07	3.39	-62.16
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+]1CCC1	REAL300024440670	0	49	0.0	-68.64	394.51	1.96	-66.68
CCC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)C[NH+](C)C	REAL300024440674	0	57	0.0	-73.81	442.16	3.28	-70.53
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC(O)CC1	REAL300024440688	0	53	0.0	-79.05	419.91	-0.26	-79.31
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300024440689	0	49	0.0	-69.18	400.44	2.20	-66.98
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CC1	REAL300024440689	1	49	0.0	-68.54	400.27	2.20	-66.34
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1C[NH+](C)C1	REAL300024440701	0	49	0.0	-72.87	402.44	1.65	-71.22
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024440710	0	55	0.0	-67.70	431.69	2.47	-65.23
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300024440710	1	55	0.0	-68.76	410.01	1.82	-66.94
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024440720	0	48	0.0	-70.05	387.68	1.16	-68.89
CC1C(NC(=O)CSC2=NC(=O)NN2)CCN1C(=O)CN=[N+]=[N-]	REAL300024440727	0	39	0.0	-23.42	348.07	-3.61	-27.03
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300024440761	0	45	0.0	-66.92	394.25	1.38	-65.54
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[N@H+](C)CCO	REAL300024440766	0	52	0.0	-72.88	421.52	-1.19	-74.07
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[N@@H+](C)CCO	REAL300024440766	1	52	0.0	-75.70	417.01	-0.77	-76.47
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024440767	0	48	0.0	-70.05	387.68	1.16	-68.89
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024440770	0	52	0.0	-70.80	407.92	2.81	-67.99
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300024440770	1	52	0.0	-70.14	399.11	2.33	-67.81
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC1	REAL300024440811	1	46	0.0	-71.84	381.33	1.26	-70.58
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300024440822	0	50	0.0	-75.22	408.94	2.33	-72.89
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300024440822	1	50	0.0	-74.88	408.99	2.33	-72.55
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)COCC[NH+](C)C	REAL300024440839	0	52	0.0	-71.52	426.88	1.87	-69.65
C=CCC(C)(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024440849	0	55	0.0	-67.22	411.78	2.68	-64.54
CC1CN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024440878	0	49	0.0	-74.24	397.90	2.31	-71.93
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024440878	1	49	0.0	-74.24	397.90	2.31	-71.93
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN(C)CCO	REAL300024440894	0	49	0.0	-71.25	395.25	-1.39	-72.64
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CCO	REAL300024440894	1	49	0.0	-71.86	398.89	-1.79	-73.65
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CCO	REAL300024440894	1	49	0.0	-71.86	398.89	-1.79	-73.65
CC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024440910	0	55	0.0	-65.27	422.77	2.95	-62.32
CC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024440910	1	55	0.0	-65.27	422.77	2.95	-62.32
CC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)C[NH+](C)C	REAL300024440912	0	54	0.0	-76.13	428.15	2.80	-73.33
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440914	0	48	0.0	-71.32	388.77	1.46	-69.86
CC[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)C1CC1	REAL300024440935	0	52	0.0	-68.63	417.36	2.76	-65.87
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440942	0	54	0.0	-71.78	420.77	2.86	-68.92
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC(C)(C)C1	REAL300024440956	0	52	0.0	-71.65	421.48	2.37	-69.28
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300024440956	1	52	0.0	-71.65	421.48	2.37	-69.28
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024440970	0	53	0.0	-69.67	423.09	-0.38	-70.05
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+](C)C	REAL300024440972	0	49	0.0	-79.48	402.94	2.47	-77.01
COCCN(C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440983	0	52	0.0	-71.63	421.15	0.61	-71.02
COCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440983	1	52	0.0	-71.37	417.50	1.03	-70.34
COCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024440983	1	52	0.0	-71.37	417.50	1.03	-70.34
CC(CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024440998	0	54	0.0	-74.33	420.82	2.94	-71.39
CCN1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441004	0	49	0.0	-70.49	397.58	1.99	-68.50
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441004	1	49	0.0	-68.84	394.49	1.38	-67.46
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441004	1	49	0.0	-68.84	394.49	1.38	-67.46
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCCC1CO	REAL300024441013	0	53	0.0	-69.61	416.92	-0.76	-70.37
C=CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024441038	0	52	0.0	-67.78	413.41	2.22	-65.56
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024441042	0	55	0.0	-66.97	428.40	3.14	-63.83
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300024441042	1	55	0.0	-66.97	428.40	3.14	-63.83
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCCC[NH+](C)C	REAL300024441044	0	57	0.0	-73.29	457.87	3.74	-69.55
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300024441049	0	50	0.0	-71.49	405.53	2.62	-68.87
CCCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024441060	0	54	0.0	-69.46	421.64	2.53	-66.93
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300024441081	0	52	0.0	-67.73	411.63	2.36	-65.37
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300024441098	0	53	0.0	-69.02	427.12	3.64	-65.38
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300024441098	1	53	0.0	-69.02	427.12	3.64	-65.38
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300024441123	0	53	0.0	-73.22	427.52	3.54	-69.68
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCC1	REAL300024441144	0	52	0.0	-76.18	413.38	2.88	-73.30
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1C[NH+]2CCN1CC2	REAL300024441162	0	52	0.0	-77.31	403.54	-1.08	-78.39
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300024441169	0	53	0.0	-69.04	417.69	2.90	-66.14
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300024441169	1	53	0.0	-69.37	417.56	2.89	-66.48
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024441200	1	51	0.0	-67.20	406.26	3.08	-64.12
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300024441200	1	51	0.0	-68.85	406.44	3.03	-65.82
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441222	0	51	0.0	-69.30	399.94	2.30	-67.00
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CCCC[N@@H+]1C	REAL300024441256	0	55	0.0	-64.79	422.85	2.87	-61.92
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CCCC[N@H+]1C	REAL300024441256	1	55	0.0	-64.98	418.49	3.11	-61.87
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+]1CC(C)C1	REAL300024441264	0	52	0.0	-68.66	417.03	2.30	-66.36
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441266	1	49	0.0	-69.35	396.78	1.60	-67.75
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441266	1	49	0.0	-69.81	398.07	2.12	-67.69
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC(O)C[NH+](C)C	REAL300024441267	0	52	0.0	-76.63	423.60	-0.17	-76.80
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1C[N@H+](C)CC(C)O1	REAL300024441279	1	53	0.0	-81.90	425.60	1.77	-80.13
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1C[N@@H+](C)CC(C)O1	REAL300024441279	1	53	0.0	-80.11	419.34	1.74	-78.37
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024441314	0	52	0.0	-72.75	420.28	2.52	-70.23
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441318	0	54	0.0	-76.60	426.71	2.97	-73.63
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC[NH+](C)CC1	REAL300024441330	1	54	0.0	-71.71	430.10	0.28	-71.43
CC1C(NC(=O)C2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441499	0	49	0.0	-70.53	387.76	1.78	-68.75
CC1C(NC(=O)C2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441499	1	49	0.0	-70.88	390.98	1.39	-69.49
CC1C(NC(=O)C2C[N@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441525	1	50	0.0	-80.65	408.43	1.28	-79.37
CC1C(NC(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441525	1	50	0.0	-74.47	401.35	1.10	-73.37
CC1C(NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441673	1	53	0.0	-76.59	422.04	1.27	-75.32
CC1C(NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441681	0	53	0.0	-70.79	415.83	2.85	-67.94
CC1C(NC(=O)CC2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441704	0	52	0.0	-72.12	413.44	2.83	-69.29
CC1C(NC(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441704	1	52	0.0	-73.96	417.55	2.43	-71.53
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024441710	0	51	0.0	-69.48	401.76	1.84	-67.64
CC1C(NC(=O)CCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441742	0	54	0.0	-74.29	432.15	3.39	-70.90
CC(C)C(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024441755	0	54	0.0	-70.47	421.21	3.01	-67.46
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441756	0	54	0.0	-74.64	428.25	3.24	-71.40
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441756	1	54	0.0	-73.91	432.66	2.79	-71.12
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441759	0	51	0.0	-72.38	410.34	2.25	-70.13
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441759	1	51	0.0	-73.26	406.00	2.68	-70.58
CC1C(NC(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441772	0	53	0.0	-75.54	413.05	2.05	-73.49
CC1C(NC(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441772	1	53	0.0	-71.45	408.80	2.46	-68.99
CC1C(NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441797	0	55	0.0	-72.78	434.10	3.33	-69.45
CC1C(NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441834	0	52	0.0	-74.26	420.34	2.79	-71.47
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441851	0	51	0.0	-73.90	406.75	2.51	-71.39
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024441851	1	51	0.0	-73.06	411.17	2.05	-71.01
CC1C(NC(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441863	0	53	0.0	-75.70	412.21	2.64	-73.06
CC1C(NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441901	0	52	0.0	-76.83	411.23	2.94	-73.89
CC(C)[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024441916	0	54	0.0	-70.75	420.58	2.90	-67.85
CC1C(NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441979	0	52	0.0	-74.91	399.14	2.67	-72.24
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](CC)CC	REAL300024442006	0	57	0.0	-66.64	433.97	3.85	-62.79
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442015	0	52	0.0	-69.65	416.39	2.62	-67.03
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442015	1	52	0.0	-68.32	406.44	2.59	-65.73
CC(C)[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442042	0	55	0.0	-67.61	425.58	3.23	-64.38
CC(C)[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442042	1	55	0.0	-67.58	425.45	3.24	-64.34
CC(C)[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024442049	0	54	0.0	-69.57	412.56	3.29	-66.28
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024442059	0	52	0.0	-71.30	417.34	2.48	-68.82
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024442059	1	52	0.0	-72.32	412.01	2.98	-69.34
CC1C(NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442061	0	55	0.0	-71.04	433.23	3.47	-67.57
CC1C(NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442061	1	55	0.0	-71.07	432.53	3.44	-67.63
CC1C(NC(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442062	0	57	0.0	-72.02	441.21	3.41	-68.61
CC1C(NC(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442062	1	57	0.0	-71.58	435.12	3.63	-67.95
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024442069	0	51	0.0	-69.74	401.28	1.89	-67.85
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442149	1	47	0.0	-68.73	396.16	2.70	-66.03
CC[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024442192	1	53	0.0	-78.57	426.30	1.93	-76.64
CC[N@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024442192	1	53	0.0	-77.30	422.31	2.34	-74.96
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442212	1	47	0.0	-71.48	396.47	3.44	-68.04
CC1C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442217	0	52	0.0	-73.61	401.45	2.29	-71.32
CC1C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442217	1	52	0.0	-72.20	408.75	2.60	-69.60
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)CC[N@@H+]1C	REAL300024442219	0	55	0.0	-72.35	428.04	2.52	-69.83
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)CC[N@H+]1C	REAL300024442219	1	55	0.0	-71.95	432.97	2.87	-69.08
CC1CCC(C)[NH+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442224	0	55	0.0	-68.17	428.08	2.73	-65.44
CC1C(NC(=O)CCC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442226	0	55	0.0	-72.44	436.52	3.63	-68.81
CC1C(NC(=O)CC[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442230	0	55	0.0	-73.44	430.65	3.71	-69.73
CC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442233	0	55	0.0	-67.50	430.79	3.06	-64.44
CC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442233	1	55	0.0	-68.99	416.99	3.21	-65.78
CC1C(NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442313	0	52	0.0	-70.56	417.31	2.83	-67.73
CC1C(NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442313	1	52	0.0	-70.26	417.17	2.81	-67.45
CC1C(NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442337	0	52	0.0	-76.83	411.23	2.94	-73.89
CC1C(NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442359	0	49	0.0	-69.42	391.73	2.20	-67.22
CC1C(NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442359	1	49	0.0	-70.78	390.91	1.40	-69.38
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442376	1	51	0.0	-69.58	417.71	2.61	-66.97
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442376	1	51	0.0	-68.86	419.70	3.53	-65.33
CC1C(NC(=O)CCC2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442381	0	55	0.0	-71.07	433.01	2.86	-68.21
CC1C(NC(=O)CCC2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442381	1	55	0.0	-73.67	438.47	3.33	-70.34
CC1C(NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442444	0	52	0.0	-68.12	409.81	2.82	-65.30
CC1C(NC(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442444	1	52	0.0	-68.71	412.97	2.43	-66.28
CC1C(NC(=O)C2CC[N@H+](C)C2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442493	0	52	0.0	-70.84	412.15	2.08	-68.76
CC1C(NC(=O)C2CC[N@@H+](C)C2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442493	1	52	0.0	-72.63	408.68	2.01	-70.62
CC1C(NC(=O)C2CC[N@@H+]2C(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442543	0	55	0.0	-69.39	416.12	2.09	-67.30
CC1C(NC(=O)C2CC[N@H+]2C(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442543	1	55	0.0	-68.80	411.74	2.42	-66.38
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024442556	0	48	0.0	-70.51	389.12	1.25	-69.26
C=CCC(C)(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024442568	0	55	0.0	-70.83	422.82	2.64	-68.19
CC1C(NC(=O)CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442580	0	52	0.0	-73.38	414.98	3.02	-70.36
CC1C(NC(=O)C[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442588	1	49	0.0	-72.76	399.19	-1.73	-74.49
CC1C(NC(=O)C[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442588	1	49	0.0	-73.58	394.68	-1.26	-74.84
CC1C(NC(=O)CC2=CC[N@H+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442634	0	53	0.0	-71.62	425.94	3.59	-68.03
CC1C(NC(=O)CC2=CC[N@@H+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442634	1	53	0.0	-69.70	430.16	3.15	-66.55
CC1C(NC(=O)C2(C)CC(O)C[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442652	0	53	0.0	-73.38	411.25	-0.32	-73.70
CC1C(NC(=O)C2(C)CC(O)C[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442652	1	53	0.0	-74.40	419.09	-0.80	-75.20
CC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024442678	1	49	0.0	-73.11	396.73	2.28	-70.83
CC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024442684	0	55	0.0	-70.56	433.28	3.11	-67.45
CC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024442684	1	55	0.0	-70.48	433.31	3.11	-67.37
CC1C(NC(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442695	0	53	0.0	-67.19	423.55	3.69	-63.50
CC1C(NC(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442695	1	53	0.0	-68.42	417.94	3.07	-65.35
CC1C(NC(=O)C=CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442716	0	53	0.0	-74.15	433.41	3.25	-70.90
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442753	0	48	0.0	-72.29	384.46	1.75	-70.54
CC1C(NC(=O)CN2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442782	0	51	0.0	-68.82	410.13	2.69	-66.13
CC1C(NC(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442782	1	51	0.0	-69.67	406.37	3.17	-66.50
CC1C(NC(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442782	1	51	0.0	-69.67	406.37	3.17	-66.50
COCCN(C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442857	0	52	0.0	-73.60	416.93	1.14	-72.46
COCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442857	1	52	0.0	-73.00	421.44	0.67	-72.33
COCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442857	1	52	0.0	-73.00	421.44	0.67	-72.33
CC(CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024442860	0	54	0.0	-74.23	424.45	2.58	-71.65
CC[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)C1CC1	REAL300024442873	0	52	0.0	-69.50	417.47	2.82	-66.68
CC1C(NC(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442898	0	50	0.0	-72.73	401.70	2.05	-70.68
CC1C(NC(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442905	0	53	0.0	-69.57	415.52	2.73	-66.84
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442918	0	51	0.0	-73.23	404.89	2.54	-70.69
CCN1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442946	0	49	0.0	-69.84	395.66	1.48	-68.36
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442946	1	49	0.0	-70.83	402.74	1.86	-68.97
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442946	1	49	0.0	-70.83	402.74	1.86	-68.97
CCC(C)(C)[NH2+]C(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442952	0	57	0.0	-69.63	431.84	1.88	-67.75
CCCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024442982	0	54	0.0	-70.17	418.33	3.09	-67.08
CC1C(NC(=O)C(C)(C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442986	0	51	0.0	-72.99	398.89	1.95	-71.04
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024442999	0	54	0.0	-72.61	431.11	2.70	-69.91
CC1C(NC(=O)C2CC(C)(C)C[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443047	0	55	0.0	-68.06	433.07	3.36	-64.70
CC1C(NC(=O)CCCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443049	0	57	0.0	-72.74	457.97	3.76	-68.98
CC1C(NC(=O)CN2CCN(C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443056	0	54	0.0	-71.82	430.17	0.34	-71.48
CC1C(NC(=O)CN2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443056	1	54	0.0	-71.82	430.17	0.34	-71.48
CC1C(NC(=O)C2CN(C)CC(C)O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443097	0	53	0.0	-79.43	425.78	2.41	-77.02
CC1C(NC(=O)C2C[N@H+](C)CC(C)O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443097	1	53	0.0	-81.39	418.84	2.07	-79.32
CC1C(NC(=O)C2C[N@@H+](C)CC(C)O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443097	1	53	0.0	-81.39	418.84	2.07	-79.32
CC1C(NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443141	0	52	0.0	-68.71	412.97	2.43	-66.28
CC1C(NC(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443199	0	50	0.0	-73.70	406.05	2.79	-70.91
CC1C(NC(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443199	1	50	0.0	-74.73	409.87	2.38	-72.35
CC1C(NC(=O)CNC2=CC=[NH+]C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443201	0	48	0.0	-70.78	406.82	0.11	-70.67
CC1C(NC(=O)CN=[N+]=[N-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300024443224	0	39	0.0	-22.37	344.13	-3.16	-25.53
CC1C(NC(=O)C2([NH+](C)C)CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443251	0	55	0.0	-67.49	419.20	3.15	-64.34
CCC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024443258	1	52	0.0	-73.14	423.65	2.70	-70.44
CC1C(NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443267	0	49	0.0	-71.06	386.70	1.67	-69.39
CC1C(NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443267	1	49	0.0	-68.66	392.41	2.04	-66.62
CC1C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443345	0	52	0.0	-72.91	416.39	2.85	-70.06
CC1C(NC(=O)C2(CC[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443353	0	55	0.0	-72.01	447.28	3.37	-68.64
CC1C(NC(=O)CC2CC=CC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443354	0	53	0.0	-67.18	417.18	2.84	-64.34
CC1C(NC(=O)CC2CC=CC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443354	1	53	0.0	-66.66	414.03	3.22	-63.44
CC1C(NC(=O)COCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443382	0	52	0.0	-71.54	426.98	1.89	-69.65
CC1C(NC(=O)CN2C=CSC2=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443406	0	45	0.0	-68.43	393.79	1.26	-67.17
CC1C(NC(=O)C2CCC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443462	0	52	0.0	-72.39	411.25	2.71	-69.68
CC1C(NC(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443462	1	52	0.0	-72.39	411.25	2.71	-69.68
CC1C(NC(=O)C[NH+]2CCCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443463	0	55	0.0	-71.81	422.04	2.87	-68.94
CC1C(NC(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443466	0	47	0.0	-71.18	397.88	4.80	-66.38
CC1C(NC(=O)CN2CCC(O)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443485	0	53	0.0	-76.75	423.89	-0.65	-77.40
CC1C(NC(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443485	1	53	0.0	-76.75	423.89	-0.65	-77.40
CC1C(NC(=O)C[N@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443486	0	49	0.0	-70.49	395.91	2.70	-67.79
CC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)C[NH+](C)C	REAL300024443504	0	54	0.0	-73.11	428.30	2.84	-70.27
CC1C(NC(=O)CC2COCCN2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443521	0	53	0.0	-69.24	414.25	0.51	-68.73
CC1C(NC(=O)CC2COCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443521	1	53	0.0	-69.33	414.14	0.52	-68.81
CC1C(NC(=O)CC2COCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443521	1	53	0.0	-69.33	414.14	0.52	-68.81
CC1C(NC(=O)C[N@@H+]2CCC(C)(O)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443582	0	53	0.0	-71.70	426.92	-0.77	-72.47
CC1C(NC(=O)CC2C[NH+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443603	0	49	0.0	-72.79	402.43	1.66	-71.13
CC1C(NC(=O)CC[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443626	0	52	0.0	-73.09	417.10	-0.72	-73.81
CC1C(NC(=O)CC[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443626	1	52	0.0	-73.09	417.10	-0.72	-73.81
CC1C(NC(=O)CC2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443641	0	55	0.0	-72.71	426.98	3.42	-69.29
CC1C(NC(=O)CC2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443641	1	55	0.0	-72.71	426.98	3.42	-69.29
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)N1CC(C)C1	REAL300024443651	0	52	0.0	-70.15	414.62	2.85	-67.30
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+]1CC(C)C1	REAL300024443651	1	52	0.0	-70.15	414.62	2.85	-67.30
CC1CCN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024443653	0	49	0.0	-70.34	392.44	1.94	-68.40
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024443653	1	49	0.0	-70.96	402.47	1.93	-69.03
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024443653	1	49	0.0	-70.96	402.47	1.93	-69.03
CC1C(NC(=O)C=CC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443659	0	49	0.0	-75.58	402.65	2.30	-73.28
CC1C(NC(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443698	0	53	0.0	-70.56	420.37	-0.23	-70.79
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024443700	0	51	0.0	-70.55	402.69	1.92	-68.63
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024443737	0	54	0.0	-72.13	429.05	2.77	-69.36
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)N1CCC1	REAL300024443787	0	49	0.0	-69.60	399.22	1.93	-67.67
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+]1CCC1	REAL300024443787	1	49	0.0	-69.60	399.22	1.93	-67.67
CCC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)C[NH+](C)C	REAL300024443792	0	57	0.0	-75.94	446.84	3.47	-72.47
CC1C(NC(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443797	0	54	0.0	-71.51	420.93	2.57	-68.94
CC1C(NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443826	0	52	0.0	-69.04	399.88	2.64	-66.40
CC1C(NC(=O)CC(O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443845	0	52	0.0	-76.06	423.81	-0.17	-76.23
C=CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024443865	0	52	0.0	-68.88	409.79	2.79	-66.09
CC1C(NC(=O)C2(C)CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443876	0	55	0.0	-71.03	428.25	2.91	-68.12
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CSC(N)=[NH2+]	REAL300024443897	0	43	0.0	-73.43	379.53	-2.28	-75.71
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300024443915	0	53	0.0	-73.66	418.12	3.25	-70.41
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC=CC[N@H+]1C	REAL300024443915	1	53	0.0	-73.66	418.12	3.25	-70.41
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024443983	0	49	0.0	-69.71	389.73	1.28	-68.43
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300024443983	1	49	0.0	-67.18	388.57	2.08	-65.10
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCCCC1	REAL300024444000	0	52	0.0	-71.06	412.72	2.66	-68.40
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@H+](C)C1C	REAL300024444004	0	52	0.0	-71.32	409.12	2.65	-68.67
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@@H+](C)C1C	REAL300024444004	1	52	0.0	-72.18	412.49	2.35	-69.83
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCCN1C	REAL300024444030	0	53	0.0	-81.70	417.30	1.13	-80.57
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCC[N@@H+]1C	REAL300024444030	1	53	0.0	-68.63	414.16	0.49	-68.14
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCC[N@H+]1C	REAL300024444030	1	53	0.0	-81.70	417.30	1.13	-80.57
CCOCC(N=[N+]=[N-])C(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)C1C	REAL300024444037	0	49	0.0	-24.78	416.03	-2.42	-27.20
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@@H+]1C	REAL300024444234	0	49	0.0	-62.12	389.66	1.28	-60.84
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@H+]1C	REAL300024444234	1	49	0.0	-62.09	389.62	1.29	-60.80
CC(C)[N@@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024444399	0	55	0.0	-60.38	424.99	2.69	-57.69
CC(C)[N@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024444399	1	55	0.0	-62.47	421.59	3.19	-59.28
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024444420	1	47	0.0	-61.85	400.94	2.39	-59.46
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1C[NH+]2CCC1CC2	REAL300024444439	0	53	0.0	-65.67	407.96	2.32	-63.35
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024444463	0	52	0.0	-66.34	406.40	2.04	-64.30
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024444463	1	52	0.0	-65.87	411.68	2.00	-63.87
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@@H+]1C	REAL300024444465	0	55	0.0	-66.56	425.54	2.32	-64.24
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@H+]1C	REAL300024444465	1	55	0.0	-64.87	428.19	2.62	-62.25
CC[N@@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024444469	1	53	0.0	-62.64	415.36	1.52	-61.12
CC[N@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024444469	1	53	0.0	-68.21	414.83	1.44	-66.77
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1C(C)CCC1C	REAL300024444503	0	55	0.0	-60.73	428.52	2.69	-58.04
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCC[NH+]1CCCC1	REAL300024444505	0	55	0.0	-66.20	441.02	3.33	-62.87
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[NH+]1CCCCC1	REAL300024444507	0	55	0.0	-66.07	435.12	3.25	-62.82
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)C1CCC1	REAL300024444537	0	52	0.0	-62.40	417.32	2.75	-59.65
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)C1CCC1	REAL300024444537	1	52	0.0	-61.98	417.73	2.77	-59.21
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCC1CCC[N@@H+]1C	REAL300024444588	0	55	0.0	-65.88	434.87	3.19	-62.69
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCC1CCC[N@H+]1C	REAL300024444588	1	55	0.0	-66.64	438.59	3.30	-63.34
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[NH+](C)CC1	REAL300024444601	0	52	0.0	-68.38	413.59	2.32	-66.06
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[NH+]1CCOCC1	REAL300024444661	1	53	0.0	-68.36	426.47	0.80	-67.56
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024444671	1	47	0.0	-65.00	401.26	3.12	-61.88
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC[N@H+](C)C1	REAL300024444688	0	52	0.0	-67.32	417.36	2.41	-64.91
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC[N@@H+](C)C1	REAL300024444688	1	52	0.0	-67.49	418.23	2.39	-65.10
CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024444694	0	51	0.0	-61.47	398.82	1.63	-59.84
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCCC[NH+](C)C	REAL300024444732	0	54	0.0	-69.02	436.76	2.95	-66.07
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024444742	0	54	0.0	-67.16	432.71	2.79	-64.37
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024444742	1	54	0.0	-66.49	432.78	2.76	-63.73
CCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024444744	0	51	0.0	-63.99	410.43	2.18	-61.81
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024444744	1	51	0.0	-63.99	410.74	2.18	-61.81
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300024444754	0	53	0.0	-66.48	404.02	1.62	-64.86
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300024444754	1	53	0.0	-66.68	405.63	1.64	-65.04
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300024444773	0	49	0.0	-62.23	392.66	1.60	-60.63
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCC[N@H+]1C	REAL300024444773	1	49	0.0	-60.70	390.01	1.31	-59.39
CC[NH+](CC)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024444796	0	51	0.0	-62.99	402.98	1.86	-61.13
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCC(C)CC1	REAL300024444841	0	55	0.0	-64.42	433.69	3.27	-61.15
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1(C[NH+](C)C)CC1	REAL300024444854	0	52	0.0	-62.28	418.62	2.43	-59.85
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[NH+](C)CC1	REAL300024444890	0	52	0.0	-68.38	413.59	2.32	-66.06
CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](CC)CC	REAL300024444915	0	57	0.0	-59.39	431.80	2.74	-56.65
CC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024444943	0	51	0.0	-66.54	411.21	2.04	-64.50
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024444943	1	51	0.0	-66.76	411.21	2.03	-64.73
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CCCC1C	REAL300024444963	0	52	0.0	-61.55	409.77	2.19	-59.36
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+]1CCCC1C	REAL300024444963	1	52	0.0	-59.36	410.42	2.16	-57.20
CC1CC[N@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024444964	0	52	0.0	-63.08	415.33	2.51	-60.57
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024444964	1	52	0.0	-63.21	416.49	2.47	-60.74
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024444966	0	55	0.0	-63.12	435.69	3.04	-60.08
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300024444966	1	55	0.0	-63.63	434.97	3.02	-60.61
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300024444967	0	57	0.0	-63.20	441.64	3.35	-59.85
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300024444967	1	57	0.0	-63.44	439.04	3.17	-60.27
CC[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024444973	0	51	0.0	-62.12	398.00	1.68	-60.44
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+](C)C	REAL300024445034	0	45	0.0	-65.49	371.39	0.79	-64.70
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCCCCC1	REAL300024445037	0	55	0.0	-62.89	422.16	2.81	-60.08
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N+]1=CN(C)C=C1	REAL300024445040	0	47	0.0	-63.93	402.35	4.31	-59.62
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@H+](C)C1	REAL300024445043	0	52	0.0	-65.75	411.36	2.10	-63.65
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@@H+](C)C1	REAL300024445043	1	52	0.0	-63.63	405.99	2.44	-61.19
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300024445047	0	53	0.0	-59.39	427.81	3.07	-56.32
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@H+]1C1CC1	REAL300024445047	1	53	0.0	-58.48	422.35	3.06	-55.42
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CCC1	REAL300024445057	0	49	0.0	-63.09	397.94	1.68	-61.41
CCC(CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300024445061	0	57	0.0	-70.35	446.77	3.43	-66.92
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCC(O)CC1	REAL300024445075	0	53	0.0	-67.18	424.03	-0.73	-67.91
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)C1CC1	REAL300024445076	0	49	0.0	-62.51	400.51	2.21	-60.30
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)C1CC1	REAL300024445076	1	49	0.0	-62.28	400.66	2.21	-60.07
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1C[NH+](C)C1	REAL300024445088	0	49	0.0	-66.76	402.84	1.64	-65.12
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024445097	0	55	0.0	-61.55	432.29	2.52	-59.03
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300024445097	1	55	0.0	-60.53	411.14	1.85	-58.68
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024445107	0	48	0.0	-63.03	388.05	1.17	-61.86
CC1CC(NC(=O)CSC2=NC(=O)NN2)CN1C(=O)CN=[N+]=[N-]	REAL300024445114	0	39	0.0	-23.89	348.36	-3.60	-27.49
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CN1C=CSC1=[NH2+]	REAL300024445148	0	45	0.0	-60.61	398.57	0.97	-59.64
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[N@H+](C)CCO	REAL300024445153	0	52	0.0	-66.26	421.64	-1.21	-67.47
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[N@@H+](C)CCO	REAL300024445153	1	52	0.0	-66.24	421.54	-1.19	-67.43
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024445154	0	48	0.0	-63.03	388.05	1.17	-61.86
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024445157	0	52	0.0	-62.71	411.44	2.30	-60.41
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300024445157	1	52	0.0	-63.48	403.68	2.05	-61.43
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCC1	REAL300024445198	1	46	0.0	-64.85	381.69	1.27	-63.58
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=C1CC[N@H+](C)C1	REAL300024445209	0	50	0.0	-68.34	408.63	2.39	-65.95
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=C1CC[N@@H+](C)C1	REAL300024445209	1	50	0.0	-70.61	408.06	2.37	-68.24
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)COCC[NH+](C)C	REAL300024445226	0	52	0.0	-67.67	427.26	1.89	-65.78
C=CCC(C)(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024445236	0	55	0.0	-59.63	416.83	2.28	-57.35
CC1CN(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024445265	0	49	0.0	-64.87	401.18	1.96	-62.91
CC1C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024445265	1	49	0.0	-64.87	401.18	1.96	-62.91
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CN(C)CCO	REAL300024445281	0	49	0.0	-64.74	398.18	-1.78	-66.52
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)CCO	REAL300024445281	1	49	0.0	-63.87	399.07	-1.81	-65.68
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)CCO	REAL300024445281	1	49	0.0	-63.87	399.07	-1.81	-65.68
CC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024445297	0	55	0.0	-65.17	432.15	2.94	-62.23
CC[N@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024445297	1	55	0.0	-65.17	432.15	2.94	-62.23
CC(CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300024445299	0	54	0.0	-69.92	428.53	2.81	-67.11
CC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445301	0	48	0.0	-63.64	389.24	1.44	-62.20
CC[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300024445322	0	52	0.0	-61.36	418.01	2.80	-58.56
CC[NH+](CC)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445329	0	54	0.0	-65.59	429.34	2.74	-62.85
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CN1CC(C)(C)C1	REAL300024445343	0	52	0.0	-64.36	422.02	2.42	-61.94
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CC(C)(C)C1	REAL300024445343	1	52	0.0	-64.36	422.02	2.42	-61.94
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024445357	0	53	0.0	-64.04	427.15	-0.78	-64.82
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=CC[NH+](C)C	REAL300024445359	0	49	0.0	-69.75	406.43	2.01	-67.74
COCCN(C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445370	0	52	0.0	-63.68	421.33	0.59	-63.09
COCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445370	1	52	0.0	-64.61	421.84	0.61	-64.00
COCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445370	1	52	0.0	-64.61	421.84	0.61	-64.00
CC(CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024445385	0	54	0.0	-67.33	425.03	2.55	-64.78
CCN1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445391	0	49	0.0	-60.70	394.54	1.42	-59.28
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445391	1	49	0.0	-61.43	394.23	1.36	-60.07
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445391	1	49	0.0	-61.43	394.23	1.36	-60.07
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CCCC1CO	REAL300024445400	0	53	0.0	-60.92	424.77	-0.67	-61.59
C=CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024445425	0	52	0.0	-61.09	413.72	2.24	-58.85
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024445429	0	55	0.0	-63.12	431.23	2.44	-60.68
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300024445429	1	55	0.0	-63.12	431.23	2.44	-60.68
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCCCC[NH+](C)C	REAL300024445431	0	57	0.0	-69.36	458.25	3.74	-65.62
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CC2CC2C1	REAL300024445436	0	50	0.0	-63.50	404.64	2.62	-60.88
CCCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024445447	0	54	0.0	-62.67	421.96	2.54	-60.13
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCCC[N@@H+]1C	REAL300024445468	0	52	0.0	-61.13	411.59	2.36	-58.77
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1=CC[N@H+](C)CC1	REAL300024445485	0	53	0.0	-66.44	430.36	3.11	-63.33
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300024445485	1	53	0.0	-66.44	430.36	3.11	-63.33
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=CC[NH+]1CCCC1	REAL300024445510	0	53	0.0	-68.52	432.77	3.21	-65.31
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[NH+]1CCCC1	REAL300024445531	0	52	0.0	-65.35	419.52	2.52	-62.83
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300024445556	0	53	0.0	-59.94	418.29	2.89	-57.05
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+]1CC2CCC1C2	REAL300024445556	1	53	0.0	-59.94	418.29	2.89	-57.05
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CN1CC2C=CC1C2	REAL300024445587	0	51	0.0	-61.03	409.56	2.65	-58.38
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024445587	1	51	0.0	-62.04	409.57	2.76	-59.28
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300024445587	1	51	0.0	-62.04	409.57	2.76	-59.28
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445609	0	51	0.0	-66.00	405.27	1.76	-64.24
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CCCC[N@@H+]1C	REAL300024445643	0	55	0.0	-59.73	423.46	2.89	-56.84
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CCCC[N@H+]1C	REAL300024445643	1	55	0.0	-59.73	423.46	2.89	-56.84
CC1CCN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445653	0	49	0.0	-62.41	397.22	1.62	-60.79
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445653	1	49	0.0	-63.45	401.48	1.88	-61.57
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445653	1	49	0.0	-63.45	401.48	1.88	-61.57
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC(O)C[NH+](C)C	REAL300024445654	0	52	0.0	-70.85	424.09	-0.20	-71.05
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CN(C)CC(C)O1	REAL300024445666	0	53	0.0	-66.28	416.41	1.53	-64.75
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1C[N@H+](C)CC(C)O1	REAL300024445666	1	53	0.0	-74.11	417.06	1.31	-72.80
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1C[N@@H+](C)CC(C)O1	REAL300024445666	1	53	0.0	-74.11	417.06	1.31	-72.80
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024445701	0	52	0.0	-68.43	420.41	2.52	-65.91
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024445705	0	54	0.0	-67.39	426.90	2.38	-65.01
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CN1CCN(C)CC1	REAL300024445717	0	54	0.0	-67.58	430.43	0.30	-67.28
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CN1CC[NH+](C)CC1	REAL300024445717	1	54	0.0	-67.58	430.43	0.30	-67.28
CC1CC(NC(=O)C2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024445886	0	49	0.0	-74.66	391.16	1.38	-73.28
CC1CC(NC(=O)C2CN(C)CCO2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024445912	0	50	0.0	-75.32	401.48	1.09	-74.23
CC1CC(NC(=O)C2C[N@H+](C)CCO2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024445912	1	50	0.0	-71.18	400.43	1.12	-70.06
CC1CC(NC(=O)C2C[N@@H+](C)CCO2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024445912	1	50	0.0	-71.18	400.43	1.12	-70.06
CC1CC(NC(=O)CCN2CCOCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446060	0	53	0.0	-78.27	426.46	0.83	-77.44
CC1CC(NC(=O)CC[NH+]2CCOCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446060	1	53	0.0	-78.27	426.46	0.83	-77.44
CC1CC(NC(=O)C23CCC[NH+]2CCC3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446068	0	53	0.0	-76.19	416.17	2.81	-73.38
CC1CC(NC(=O)CC2CC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446091	0	52	0.0	-76.66	417.71	2.45	-74.21
CC1CC(NC(=O)CC2CC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446091	1	52	0.0	-76.66	417.71	2.45	-74.21
CCC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024446097	0	51	0.0	-72.27	402.22	1.77	-70.50
CC1CC(NC(=O)CCCC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446129	0	54	0.0	-75.45	436.87	2.96	-72.49
CC(C)C(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024446142	0	54	0.0	-70.89	420.68	3.03	-67.86
CCC[N@H+](C)CCC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446143	0	54	0.0	-75.87	432.70	2.82	-73.05
CCC[N@@H+](C)CCC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446143	1	54	0.0	-75.87	432.70	2.82	-73.05
CCC[N@H+](C)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446146	0	51	0.0	-74.07	410.36	2.26	-71.81
CCC[N@@H+](C)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446146	1	51	0.0	-74.07	410.36	2.26	-71.81
CC1CC(NC(=O)C23CC[N@H+](C2)CCC3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446159	0	53	0.0	-74.05	413.09	2.05	-72.00
CC1CC(NC(=O)C23CC[N@@H+](C2)CCC3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446159	1	53	0.0	-80.00	410.85	2.18	-77.82
CC1CC(NC(=O)C[NH+]2CCC(C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446184	0	55	0.0	-74.77	433.70	3.34	-71.43
CC1CC(NC(=O)C2(C[NH+](C)C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446221	0	52	0.0	-74.28	415.40	2.55	-71.73
CC[N@H+](C)CCC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446238	0	51	0.0	-75.17	411.20	2.07	-73.10
CC[N@@H+](C)CCC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446238	1	51	0.0	-75.12	411.20	2.07	-73.05
CC1CC(NC(=O)C2C[NH+]3CCC2CC3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446250	0	53	0.0	-82.09	412.48	2.61	-79.48
CC1CC(NC(=O)C2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446288	0	52	0.0	-78.76	415.76	2.49	-76.27
CC(C)[C@H](C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024446303	0	54	0.0	-71.43	421.59	2.93	-68.50
CC1CC(NC(=O)C2([NH+](C)C)CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446366	0	52	0.0	-79.76	408.70	2.17	-77.59
CCC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024446393	0	57	0.0	-67.91	437.59	3.14	-64.77
CC1CC(NC(=O)C[N@@H+]2CCCC2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446402	0	52	0.0	-71.41	416.50	2.64	-68.77
CC1CC(NC(=O)C[N@H+]2CCCC2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446402	1	52	0.0	-71.54	416.72	2.64	-68.90
CC(C)[N@@H+]1CCCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446429	0	55	0.0	-63.93	430.40	2.99	-60.94
CC(C)[N@H+]1CCCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446429	1	55	0.0	-69.38	430.16	2.93	-66.45
CC(C)[C@@H](C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024446436	0	54	0.0	-68.67	416.46	3.31	-65.36
CC1CC[N@H+](CC(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024446446	0	52	0.0	-73.83	416.73	2.63	-71.20
CC1CC[N@@H+](CC(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024446446	1	52	0.0	-73.48	416.60	2.52	-70.96
CC1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446448	0	55	0.0	-73.85	436.54	3.09	-70.76
CC1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446448	1	55	0.0	-67.45	436.84	3.09	-64.36
CC1CC(NC(=O)C[N@H+](C)CC(C)(C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446449	0	57	0.0	-74.37	440.95	3.40	-70.97
CC1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446449	1	57	0.0	-74.37	441.26	3.43	-70.94
CC[C@@H](C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024446456	0	51	0.0	-71.86	401.81	1.86	-70.00
CC1=[NH+]C=CN1CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446536	1	47	0.0	-70.48	400.53	2.47	-68.01
CC[N@@H+]1CCOC(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024446579	1	53	0.0	-85.42	426.40	1.90	-83.52
CC[N@H+]1CCOC(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024446579	1	53	0.0	-85.32	426.58	1.93	-83.39
CC1=C[NH+]=CN1CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446599	1	47	0.0	-71.99	399.85	3.15	-68.84
CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446604	0	52	0.0	-74.01	409.05	2.02	-71.99
CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446604	1	52	0.0	-75.37	413.31	2.33	-73.04
CC[C@@H]1[C@@H](C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024446606	0	55	0.0	-73.94	428.38	2.53	-71.41
CC[C@@H]1[C@@H](C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024446606	1	55	0.0	-66.02	433.62	2.88	-63.14
CC1CC(NC(=O)C[NH+]2C(C)CCC2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446611	0	55	0.0	-70.89	428.64	2.86	-68.03
CC1CC(NC(=O)CCC[NH+]2CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446613	0	55	0.0	-73.37	440.30	3.30	-70.07
CC1CC(NC(=O)CC[NH+]2CCCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446617	0	55	0.0	-74.54	434.65	3.26	-71.28
CC[N@@H+]1CCCCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446620	0	55	0.0	-69.80	421.73	2.92	-66.88
CC[N@H+]1CCCCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446620	1	55	0.0	-70.90	421.88	2.92	-67.98
CC1CC(NC(=O)C[N@H+](C)C2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446700	0	52	0.0	-70.02	416.33	2.81	-67.21
CC1CC(NC(=O)C[N@@H+](C)C2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446700	1	52	0.0	-70.25	416.34	2.82	-67.43
CC1CC(NC(=O)C2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446724	0	52	0.0	-78.76	415.76	2.49	-76.27
CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446746	0	49	0.0	-70.35	396.42	1.93	-68.42
CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446746	1	49	0.0	-74.60	391.46	1.37	-73.23
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446763	1	51	0.0	-73.10	418.05	2.58	-70.52
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024446763	1	51	0.0	-67.03	424.11	3.14	-63.89
CC1CC(NC(=O)CCC2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446768	0	55	0.0	-71.77	433.46	2.86	-68.91
CC1CC(NC(=O)CCC2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446768	1	55	0.0	-77.90	438.92	3.35	-74.55
CC1CC(NC(=O)C2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446831	0	52	0.0	-70.75	403.77	2.28	-68.47
CC1CC(NC(=O)C2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446831	1	52	0.0	-70.75	404.17	2.26	-68.49
CC1CC(NC(=O)C2CC[N@H+](C)C2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446880	0	52	0.0	-65.18	413.42	2.28	-62.90
CC1CC(NC(=O)C2CC[N@@H+](C)C2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446880	1	52	0.0	-73.86	408.90	2.01	-71.85
CC1CC(NC(=O)C2CC[N@@H+]2C(C)(C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446930	0	55	0.0	-71.10	433.04	2.58	-68.52
CC1CC(NC(=O)C2CC[N@H+]2C(C)(C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446930	1	55	0.0	-73.24	415.91	2.01	-71.23
C[C@@H](C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024446943	0	48	0.0	-73.04	389.28	1.26	-71.78
C=CCC(C)(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024446955	0	55	0.0	-67.11	427.04	2.85	-64.26
CC1CC(NC(=O)CC[NH+]2CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446967	0	52	0.0	-74.76	419.44	2.59	-72.17
CC1CC(NC(=O)C[N@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446975	1	49	0.0	-74.34	399.21	-1.72	-76.06
CC1CC(NC(=O)C[N@@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446975	1	49	0.0	-74.19	399.03	-1.73	-75.92
CC1CC(NC(=O)CC2=CC[N@H+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447021	0	53	0.0	-71.17	430.24	3.19	-67.98
CC1CC(NC(=O)CC2=CC[N@@H+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447021	1	53	0.0	-68.92	430.38	3.16	-65.76
CC1CC(NC(=O)C2(C)CC(O)C[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447039	0	53	0.0	-76.67	416.54	-1.01	-77.68
CC1CC(NC(=O)C2(C)CC(O)C[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447039	1	53	0.0	-81.65	420.76	-1.02	-82.67
CC1C[NH+](CC(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024447065	1	49	0.0	-74.21	402.38	1.95	-72.26
CC[N@@H+]1CCCC(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024447071	0	55	0.0	-72.11	433.69	3.12	-68.99
CC[N@H+]1CCCC(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024447071	1	55	0.0	-65.76	427.12	3.32	-62.44
CC1CC(NC(=O)C2CCC[N@@H+]2C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447082	0	53	0.0	-74.31	423.90	2.85	-71.46
CC1CC(NC(=O)C2CCC[N@H+]2C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447082	1	53	0.0	-70.70	419.66	3.54	-67.16
CC1CC(NC(=O)C=CC[NH+]2CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447103	0	53	0.0	-76.09	433.81	3.25	-72.84
CC[N@H+](C)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024447140	0	48	0.0	-73.82	388.90	1.52	-72.30
CC1CC(NC(=O)C[N@@H+]2CC3C=CC2C3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447169	1	51	0.0	-64.01	410.39	2.75	-61.26
CC1CC(NC(=O)C[N@H+]2CC3C=CC2C3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447169	1	51	0.0	-72.70	410.98	2.81	-69.89
CC1CC(NC(=O)C2C[NH+]3CCN2CC3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447213	0	52	0.0	-75.07	406.46	-0.70	-75.77
COCC[N@H+](C)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024447244	1	52	0.0	-72.83	420.23	0.67	-72.16
COCC[N@@H+](C)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024447244	1	52	0.0	-75.54	421.51	0.68	-74.86
CC(CCC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024447247	0	54	0.0	-78.31	424.85	2.57	-75.74
CC1CC(NC(=O)C=C2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447255	0	53	0.0	-71.70	424.74	3.10	-68.60
CC[N@H+](CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024447260	0	52	0.0	-70.47	419.70	2.88	-67.59
CC[N@@H+](CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024447260	1	52	0.0	-70.55	420.91	2.90	-67.65
CC1CC(NC(=O)C23CC(C2)C[N@@H+]3C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447285	0	50	0.0	-78.86	403.76	2.03	-76.83
CC1CC(NC(=O)C23CC(C2)C[N@H+]3C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447285	1	50	0.0	-76.83	403.34	2.00	-74.83
CC1CC(NC(=O)C[N@@H+]2CC3CCC2C3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447292	0	53	0.0	-71.69	416.05	2.78	-68.91
CC1CC(NC(=O)C[N@H+]2CC3CCC2C3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447292	1	53	0.0	-72.61	417.61	2.95	-69.66
CC(C[NH+](C)C)C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024447305	0	51	0.0	-74.33	409.98	2.11	-72.22
CC1CC(NC(=O)C2([NH+](C)C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447313	0	49	0.0	-78.03	393.60	2.20	-75.83
C[C@H](C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024447329	0	48	0.0	-69.38	388.29	1.26	-68.12
CC[N@@H+]1CCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024447333	1	49	0.0	-71.59	395.65	1.51	-70.08
CC[N@H+]1CCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024447333	1	49	0.0	-73.15	402.74	1.88	-71.27
CCC(C)(C)[NH2+]C(C)C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024447339	0	57	0.0	-70.32	436.90	1.42	-68.90
CC1CC(NC(=O)C2=C[NH+]=CC=C2N)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447362	0	45	0.0	-76.39	379.51	-0.66	-77.05
CCCC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024447369	0	54	0.0	-74.30	425.62	2.74	-71.56
CC1CC(NC(=O)C(C)(C)[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447373	0	51	0.0	-79.39	398.99	1.97	-77.42
CC(CC[NH+](C)C)C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024447386	0	54	0.0	-73.69	431.55	2.73	-70.96
CC1CC(NC(=O)C2CC(C)(C)C[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447434	0	55	0.0	-71.41	431.52	2.44	-68.97
CC1CC(NC(=O)C2CC(C)(C)C[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447434	1	55	0.0	-69.98	431.61	2.54	-67.44
CC1CC(NC(=O)CCCCC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447436	0	57	0.0	-74.52	458.37	3.74	-70.78
CC1CC(NC(=O)CN2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447443	1	54	0.0	-69.86	430.63	0.35	-69.51
CC1CC(NC(=O)C2C[N@H+](C)CC(C)O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447484	1	53	0.0	-71.40	421.55	1.86	-69.54
CC1CC(NC(=O)C2C[N@@H+](C)CC(C)O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447484	1	53	0.0	-74.82	422.92	1.59	-73.23
CC1CC(NC(=O)C[NH+]2CC3CC3C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447511	0	50	0.0	-74.44	405.70	2.70	-71.74
CC1CC(NC(=O)C2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447528	0	52	0.0	-70.75	403.77	2.28	-68.47
CC1CC(NC(=O)C2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447528	1	52	0.0	-70.75	404.17	2.26	-68.49
CC1CC(NC(=O)C=C2CC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447586	0	50	0.0	-75.66	410.40	2.37	-73.29
CC1CC(NC(=O)C=C2CC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447586	1	50	0.0	-76.03	409.27	2.41	-73.62
CC1CC(NC(=O)CNC2=CC=[NH+]C=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447588	0	48	0.0	-73.60	407.22	0.10	-73.50
CC1CC(NC(=O)CN=[N+]=[N-])CN1C(=O)CSC1=NC(=O)NN1	REAL300024447611	0	39	0.0	-24.88	348.16	-3.58	-28.46
CC1CC(NC(=O)C2([NH+](C)C)CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447638	0	55	0.0	-80.24	423.60	3.41	-76.83
CCC1C[NH+](CC(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024447645	1	52	0.0	-75.40	423.62	2.66	-72.74
CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447654	0	49	0.0	-74.71	391.20	1.37	-73.34
CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447654	1	49	0.0	-71.00	397.71	1.91	-69.09
CC1CC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447732	0	52	0.0	-75.37	421.09	2.57	-72.80
CC1CC(NC(=O)C2(CC[NH+](C)C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447740	0	55	0.0	-77.94	445.81	3.39	-74.55
CC1CC(NC(=O)CC2CC=CC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447741	0	53	0.0	-65.94	417.39	2.82	-63.12
CC1CC(NC(=O)CC2CC=CC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447741	1	53	0.0	-68.70	417.65	2.84	-65.86
CC1CC(NC(=O)COCC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447769	0	52	0.0	-73.59	427.38	1.88	-71.71
CC1CC(NC(=O)CN2C=CSC2=[NH2+])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447793	0	45	0.0	-70.50	398.20	1.03	-69.47
CC1CC(NC(=O)C2CCC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447849	0	52	0.0	-67.53	409.43	2.68	-64.85
CC1CC(NC(=O)C2CCC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447849	1	52	0.0	-67.53	409.43	2.68	-64.85
CC1CC(NC(=O)C[NH+]2CCCCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447850	0	55	0.0	-74.49	424.34	3.25	-71.24
CC1CC(NC(=O)C[N+]2=CN(C)C=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447853	0	47	0.0	-70.62	402.40	4.35	-66.27
CC1CC(NC(=O)CN2CCC(O)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447872	0	53	0.0	-79.26	423.93	-0.63	-79.89
CC1CC(NC(=O)C[NH+]2CCC(O)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447872	1	53	0.0	-79.26	423.93	-0.63	-79.89
CC1CC(NC(=O)C[N@H+](C)C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447873	0	49	0.0	-70.97	400.38	2.26	-68.71
CC(CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024447891	0	54	0.0	-79.66	428.65	2.81	-76.85
CC1CC(NC(=O)CC2COCCN2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447908	0	53	0.0	-71.65	414.24	0.53	-71.12
CC1CC(NC(=O)CC2COCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447908	1	53	0.0	-71.51	414.34	0.50	-71.01
CC1CC(NC(=O)CC2COCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447908	1	53	0.0	-71.51	414.34	0.50	-71.01
CC1CC(NC(=O)C[N@@H+]2CCC(C)(O)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447969	0	53	0.0	-73.43	427.31	-0.74	-74.17
CC1CC(NC(=O)CC2C[NH+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447990	0	49	0.0	-73.19	402.95	1.65	-71.54
CC1CC(NC(=O)CC[N@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448013	0	52	0.0	-74.66	421.54	-1.17	-75.83
CC1CC(NC(=O)CC[N@@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448013	1	52	0.0	-74.66	421.54	-1.17	-75.83
CC1CC(NC(=O)CC2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448028	0	55	0.0	-68.05	422.95	2.89	-65.16
CC1CC(NC(=O)CC2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448028	1	55	0.0	-68.05	422.95	2.89	-65.16
CC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300024448038	0	52	0.0	-64.56	419.21	2.55	-62.01
CC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024448038	1	52	0.0	-64.56	419.21	2.55	-62.01
CC1CCN1CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024448040	0	49	0.0	-66.06	397.47	1.64	-64.42
CC1CC[N@@H+]1CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024448040	1	49	0.0	-73.34	402.74	1.93	-71.41
CC1CC[N@H+]1CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024448040	1	49	0.0	-73.34	402.74	1.93	-71.41
CC1CC(NC(=O)C=CC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448046	0	49	0.0	-76.80	408.73	2.07	-74.73
CC1CC(NC(=O)C[N@@H+]2CCCC2CO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448085	0	53	0.0	-73.41	425.91	-0.60	-74.01
CC[NH+](CC)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024448087	0	51	0.0	-72.30	403.09	1.91	-70.39
CC1CC(NC(=O)CN2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448096	0	46	0.0	-74.16	381.80	1.31	-72.85
CC1CC(NC(=O)C[NH+]2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448096	1	46	0.0	-74.16	381.80	1.31	-72.85
CC[NH+](CC)CCC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024448124	0	54	0.0	-74.87	425.10	2.47	-72.40
CC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024448174	1	49	0.0	-69.86	398.36	1.91	-67.95
CCC(CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024448179	0	57	0.0	-68.39	446.74	3.44	-64.95
CC1CC(NC(=O)C(C)(C)C[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448184	0	54	0.0	-73.20	421.34	2.56	-70.64
CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448213	0	52	0.0	-70.08	412.08	2.44	-67.64
CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448213	1	52	0.0	-68.72	402.64	2.26	-66.46
CC1CC(NC(=O)CC(O)C[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448232	0	52	0.0	-78.38	424.21	-0.18	-78.56
C=CCC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024448252	0	52	0.0	-69.63	414.55	2.28	-67.35
CC1CC(NC(=O)C2(C)CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448263	0	55	0.0	-74.29	428.46	2.91	-71.38
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CSC(N)=[NH2+]	REAL300024448284	0	43	0.0	-66.18	379.31	-2.21	-68.39
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC=CC[N@@H+]1C	REAL300024448302	0	53	0.0	-59.92	417.89	2.81	-57.11
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC=CC[N@H+]1C	REAL300024448302	1	53	0.0	-67.17	422.99	2.89	-64.28
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024448370	0	49	0.0	-61.80	394.59	1.63	-60.17
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300024448370	1	49	0.0	-61.80	394.59	1.63	-60.17
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[N@H+](C)C1C	REAL300024448391	0	52	0.0	-68.07	407.11	1.79	-66.28
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[N@@H+](C)C1C	REAL300024448391	1	52	0.0	-68.07	407.11	1.79	-66.28
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1COCCN1C	REAL300024448417	0	53	0.0	-62.91	414.84	0.49	-62.42
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1COCC[N@@H+]1C	REAL300024448417	1	53	0.0	-69.38	421.79	0.61	-68.77
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1COCC[N@H+]1C	REAL300024448417	1	53	0.0	-69.38	421.79	0.61	-68.77
C[N@@H+]1CCCC1C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448566	0	53	0.0	-68.63	415.48	2.67	-65.96
CCC(C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024448660	0	55	0.0	-67.96	421.47	2.75	-65.21
CCC[N@H+](C)CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448664	0	55	0.0	-70.98	430.05	3.17	-67.81
CCC[N@@H+](C)CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448664	1	55	0.0	-70.98	430.05	3.17	-67.81
C[N@@H+]1CCC[C@@H]1C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448670	0	53	0.0	-65.91	416.27	2.97	-62.94
CC[NH+](CC)CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448673	0	55	0.0	-69.16	422.41	2.83	-66.33
CC[N@H+](C)CCC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448715	0	55	0.0	-72.41	429.41	2.84	-69.57
CC[N@@H+](C)CCC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448715	1	55	0.0	-72.41	429.41	2.84	-69.57
CC[C@@H](C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024448718	0	55	0.0	-67.40	421.32	2.95	-64.45
CC(C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)N1CCC1	REAL300024448737	0	53	0.0	-68.98	417.15	2.67	-66.31
CC(C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+]1CCC1	REAL300024448737	1	53	0.0	-68.98	417.15	2.67	-66.31
C[N@H+](CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300024448744	0	53	0.0	-68.63	420.22	3.16	-65.47
C[NH+]1CC(CC(=O)NC23CCCC2N(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300024448749	0	53	0.0	-70.62	422.15	2.58	-68.04
CC1CN(CC(=O)NC23CCCC2N(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300024448806	0	53	0.0	-70.15	421.80	3.07	-67.08
CC1C[NH+](CC(=O)NC23CCCC2N(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300024448806	1	53	0.0	-70.15	421.80	3.07	-67.08
CN(CCO)CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448816	0	53	0.0	-71.12	418.90	-0.82	-71.94
C[N@H+](CCO)CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448816	1	53	0.0	-70.93	418.68	-0.83	-71.76
C[N@@H+](CCO)CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448816	1	53	0.0	-70.93	418.68	-0.83	-71.76
CC[N@H+](C)CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448821	0	52	0.0	-69.21	408.99	2.62	-66.59
C[NH+](C)CC=CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448836	0	53	0.0	-72.72	428.04	3.01	-69.71
CCN1CCC1C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448841	0	53	0.0	-69.21	414.37	2.65	-66.56
CC[N@@H+]1CCC1C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448841	1	53	0.0	-67.86	415.25	2.60	-65.26
CC[N@H+]1CCC1C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448841	1	53	0.0	-67.86	415.25	2.60	-65.26
CC(C[NH+](C)C)C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448884	0	55	0.0	-70.71	429.22	3.03	-67.68
CC1CCN1CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448894	0	53	0.0	-69.58	414.94	2.44	-67.14
CC1CC[N@@H+]1CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448894	1	53	0.0	-69.53	421.96	2.87	-66.66
CC1CC[N@H+]1CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024448894	1	53	0.0	-69.53	421.96	2.87	-66.66
C[N@@H+]1CCCC1C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449006	0	53	0.0	-67.27	409.32	2.24	-65.03
CCC(C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12)[NH+](C)C	REAL300024449080	0	55	0.0	-68.26	423.01	2.96	-65.30
CCC[N@H+](C)CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449084	0	55	0.0	-69.19	425.98	2.95	-66.24
CCC[N@@H+](C)CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449084	1	55	0.0	-69.19	425.98	2.95	-66.24
CC[N@H+](C)CCC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449101	0	55	0.0	-70.87	430.92	2.93	-67.94
CC[N@@H+](C)CCC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449101	1	55	0.0	-70.87	430.92	2.93	-67.94
CC[C@@H](C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12)[NH+](C)C	REAL300024449142	0	55	0.0	-69.36	415.14	2.59	-66.77
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449188	0	53	0.0	-70.11	410.01	2.36	-67.75
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449188	1	53	0.0	-73.01	412.49	2.55	-70.46
C[C@@H](C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12)[NH+](C)C	REAL300024449243	0	52	0.0	-69.19	405.48	1.93	-67.26
C[N@H+](CCO)CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449253	1	53	0.0	-71.37	417.44	-0.97	-72.34
C[N@@H+](CCO)CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449253	1	53	0.0	-70.44	419.01	-0.68	-71.12
CC1C[NH+](CC(=O)N2CCC3(NC(=O)CSC4=NNC(=O)[N-]4)CCCC23)C1	REAL300024449269	1	53	0.0	-70.04	418.54	2.62	-67.42
CC[N@H+](C)CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449287	0	52	0.0	-69.10	404.49	2.22	-66.88
CC[N@@H+](C)CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449287	1	52	0.0	-70.54	407.09	2.26	-68.28
CC(C[NH+](C)C)C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449320	0	55	0.0	-71.65	425.59	2.87	-68.78
C[NH+](C)C1(C(=O)N2CCC3(NC(=O)CSC4=NNC(=O)[N-]4)CCCC23)CC1	REAL300024449323	0	53	0.0	-69.47	413.07	2.27	-67.20
C[C@H](C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12)[NH+](C)C	REAL300024449327	0	52	0.0	-66.88	403.94	1.90	-64.98
CC[N@@H+]1CCC1C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449330	1	53	0.0	-68.23	412.70	2.26	-65.97
CC[N@H+]1CCC1C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449330	1	53	0.0	-69.58	419.86	2.54	-67.04
C[NH+](C)C(C)(C)C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449339	0	55	0.0	-69.59	409.03	2.00	-67.59
[N-]=[N+]=NCC(=O)N1CCC2(NC(=O)CSC3=NC(=O)NN3)CCCC12	REAL300024449388	0	43	0.0	-21.91	367.78	-2.51	-24.42
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449401	0	53	0.0	-71.80	409.87	2.51	-69.29
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449401	1	53	0.0	-69.74	407.33	2.03	-67.71
C[N@H+](CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12)C1CC1	REAL300024449438	0	53	0.0	-66.69	420.09	3.11	-63.58
C[N@@H+](CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12)C1CC1	REAL300024449438	1	53	0.0	-68.07	420.75	3.30	-64.77
C[NH+]1CC(CC(=O)N2CCC3(NC(=O)CSC4=NNC(=O)[N-]4)CCCC23)C1	REAL300024449466	0	53	0.0	-70.83	422.18	2.74	-68.09
C[NH+](C)CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449469	0	49	0.0	-70.13	390.82	1.89	-68.24
C[C@@H](C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12)[NH+](C)C	REAL300024449472	0	52	0.0	-69.19	405.48	1.93	-67.26
CC1CC[N@@H+]1CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449481	1	53	0.0	-69.34	420.76	2.69	-66.65
CC1CC[N@H+]1CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449481	1	53	0.0	-67.90	413.06	2.34	-65.56
C[NH+](C)CC=CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449482	0	53	0.0	-74.21	427.57	3.12	-71.09
CC[NH+](CC)CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024449488	0	55	0.0	-69.05	425.78	2.95	-66.10
O=C(CSC1=NNC(=O)[N-]1)NC12CCCC1N(C(=O)C[NH+]1CCC1)CC2	REAL300024449489	1	50	0.0	-70.48	397.56	1.99	-68.49
CC(C(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12)[NH+]1CCC1	REAL300024449512	1	53	0.0	-69.59	415.21	2.38	-67.21
NC(=[NH2+])SCC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024449552	0	47	0.0	-70.88	398.74	-1.30	-72.18
C[N@@H+]1CCC[C@H]1C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024449580	0	53	0.0	-66.58	417.07	2.97	-63.61
C[N@H+]1CCC[C@H]1C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024449580	1	53	0.0	-68.50	409.54	2.47	-66.03
C[NH+](C)CC(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024449698	0	52	0.0	-74.26	409.43	2.83	-71.43
C[C@@H](C(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024449703	0	55	0.0	-72.85	426.48	3.19	-69.66
[N-]=[N+]=NCC(=O)N1CC2CCCC(NC(=O)CSC3=NC(=O)NN3)C2C1	REAL300024449706	0	46	0.0	-24.61	387.20	-1.52	-26.13
C[C@@H](C(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024449716	0	55	0.0	-72.85	426.48	3.19	-69.66
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC2CN(C(=O)C[NH+]3CCC3)CC21	REAL300024449724	1	53	0.0	-74.31	419.84	3.23	-71.08
C[C@H](C(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300024449729	0	55	0.0	-73.71	431.66	2.66	-71.05
CC[N@H+](C)CC(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024449741	0	55	0.0	-73.47	427.26	3.49	-69.98
CC[N@@H+](C)CC(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024449741	1	55	0.0	-74.03	433.33	3.04	-70.99
C[C@@H](C(=O)NC1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300024449887	0	55	0.0	-70.04	432.85	2.74	-67.30
CC[N@H+](C)CC(=O)NC1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300024449906	0	55	0.0	-71.19	427.64	3.57	-67.62
CC[N@@H+](C)CC(=O)NC1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300024449906	1	55	0.0	-69.38	433.21	3.04	-66.34
C[C@H](C(=O)NC1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300024449919	0	55	0.0	-67.56	433.81	2.81	-64.75
[N-]=[N+]=NCC(=O)NC1CCCC2CN(C(=O)CSC3=NC(=O)NN3)CC21	REAL300024449944	0	46	0.0	-23.48	386.28	-1.53	-25.01
C[NH+](C)CC(=O)NC1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300024449975	0	52	0.0	-68.99	409.44	2.87	-66.12
C[C@@H](C(=O)NC1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300024449978	0	55	0.0	-70.04	432.85	2.74	-67.30
CC1C(NC(=O)C2CCC[N@@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450184	0	52	0.0	-59.58	404.46	3.45	-56.13
CC1C(NC(=O)C2CCC[N@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450184	1	52	0.0	-68.73	406.82	2.67	-66.06
CC1C(NC(=O)C2C[N@H+](C)CCO2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450208	1	53	0.0	-84.98	418.52	2.18	-82.80
CC1C(NC(=O)C2C[N@@H+](C)CCO2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450208	1	53	0.0	-66.50	415.59	2.84	-63.66
CC1=[NH+]C=CN1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450347	1	50	0.0	-59.92	407.57	4.00	-55.92
C[C@@H]1[C@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)CC[N@@H+]1C	REAL300024450365	0	55	0.0	-76.35	417.01	2.72	-73.63
C[C@@H]1[C@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)CC[N@H+]1C	REAL300024450365	1	55	0.0	-62.22	420.40	3.66	-58.56
CC1C(NC(=O)C2([NH+](C)C)CCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450385	0	55	0.0	-59.02	411.79	3.98	-55.04
CC(C)[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024450387	0	57	0.0	-59.83	421.90	4.17	-55.66
CC1C(NC(=O)C[N@H+](C)C2CCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450396	0	55	0.0	-70.63	427.36	3.71	-66.92
CC1C(NC(=O)C[N@@H+](C)C2CCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450396	1	55	0.0	-70.27	427.21	3.69	-66.58
CC1C(NC(=O)C2CC[NH+](C)CC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450420	0	55	0.0	-77.58	425.73	3.37	-74.21
CC1C(NC(=O)C2CCCC[N@@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450426	0	55	0.0	-59.49	420.25	3.95	-55.54
CC1C(NC(=O)C2CCCC[N@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450426	1	55	0.0	-67.88	423.20	3.31	-64.57
CC1=C[NH+]=CN1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450443	1	50	0.0	-72.16	410.89	4.06	-68.10
CC1C(NC(=O)CC2CC[N@H+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450453	0	55	0.0	-74.26	427.29	3.33	-70.93
CC1C(NC(=O)CC2CC[N@@H+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450453	1	55	0.0	-74.88	427.66	3.32	-71.56
CCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024450456	0	54	0.0	-59.71	408.76	3.41	-56.30
CC1C(NC(=O)CCCC[NH+](C)C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450470	0	57	0.0	-75.15	446.48	3.85	-71.30
CC(C)C(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024450473	0	57	0.0	-59.20	422.93	3.94	-55.26
CCC[N@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450474	0	57	0.0	-63.78	439.74	4.34	-59.44
CCC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450474	1	57	0.0	-63.82	439.73	4.34	-59.48
CCC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450475	0	54	0.0	-72.33	420.35	3.13	-69.20
CCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450475	1	54	0.0	-61.75	417.37	3.81	-57.94
CC1C(NC(=O)[C@H]2CCC[N@@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450490	0	52	0.0	-59.33	403.16	3.47	-55.86
CC1C(NC(=O)[C@H]2CCC[N@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450490	1	52	0.0	-59.99	398.38	2.90	-57.09
CC[NH+](CC)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450502	0	54	0.0	-70.70	412.67	2.80	-67.90
CC1C(NC(=O)C2(C[NH+](C)C)CC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450556	0	55	0.0	-59.45	430.36	4.17	-55.28
CC1C(NC(=O)C2CC[NH+](C)CC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450578	0	55	0.0	-77.58	425.73	3.37	-74.21
CC(C)[C@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024450593	0	57	0.0	-69.29	430.09	3.95	-65.34
CC[N@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450620	0	54	0.0	-63.21	418.24	3.59	-59.62
CC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450620	1	54	0.0	-73.95	421.22	2.93	-71.02
CC1CCC[N@@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450630	0	55	0.0	-69.78	426.47	3.50	-66.28
CC1CCC[N@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450630	1	55	0.0	-58.74	416.85	3.76	-54.98
CC1CC[N@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024450631	0	55	0.0	-71.07	427.35	3.37	-67.70
CC1CC[N@@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024450631	1	55	0.0	-71.41	426.49	3.41	-68.00
CC[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024450633	0	54	0.0	-69.52	411.33	2.73	-66.79
CC1C(NC(=O)C[NH+](C)C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450669	0	48	0.0	-72.76	381.12	1.71	-71.05
CC1C(NC(=O)C[N+]2=CN(C)C=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450670	0	50	0.0	-69.52	412.35	5.22	-64.30
CC1C(NC(=O)C2CCC[N@H+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450673	0	55	0.0	-66.71	419.51	3.54	-63.17
CC1C(NC(=O)C2CCC[N@@H+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450673	1	55	0.0	-62.93	422.84	3.97	-58.96
CC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+]1CCC1	REAL300024450680	1	52	0.0	-59.59	405.90	3.43	-56.16
CC1C(NC(=O)C(C)(C)C[NH+](C)C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450683	0	57	0.0	-72.49	431.85	3.53	-68.96
CC1C(NC(=O)C[N@H+](C)C2CC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450690	0	52	0.0	-59.63	407.55	3.80	-55.83
CC1C(NC(=O)C[N@@H+](C)C2CC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450690	1	52	0.0	-59.77	407.56	3.80	-55.97
CC1C(NC(=O)CC2C[NH+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450701	0	52	0.0	-64.42	409.25	3.12	-61.30
C[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024450713	0	51	0.0	-71.43	399.34	2.12	-69.31
CC1C(NC(=O)CN=[N+]=[N-])CCCN1C(=O)CSC1=NC(=O)NN1	REAL300024450720	0	42	0.0	-24.08	358.08	-2.69	-26.77
C[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024450751	0	51	0.0	-71.43	399.34	2.12	-69.31
CC1C(NC(=O)[C@H]2CCCC[N@@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450754	0	55	0.0	-70.02	423.24	3.31	-66.71
CC1C(NC(=O)[C@H]2CCCC[N@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450754	1	55	0.0	-69.19	413.75	3.14	-66.05
CC1C(NC(=O)C=C2CC[N@H+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450790	0	53	0.0	-75.79	418.98	3.28	-72.51
CC1C(NC(=O)C=C2CC[N@@H+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450790	1	53	0.0	-75.88	420.00	3.25	-72.63
C[C@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024450808	0	51	0.0	-69.99	399.17	2.12	-67.87
CC1C[NH+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024450824	1	52	0.0	-61.71	408.21	3.55	-58.16
CC1C(NC(=O)C[N@H+](C)CCO)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450837	1	52	0.0	-62.40	406.23	-0.18	-62.58
CC1C(NC(=O)C[N@@H+](C)CCO)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450837	1	52	0.0	-72.41	409.23	-0.86	-73.27
CC(CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)C[NH+](C)C	REAL300024450849	0	57	0.0	-73.97	438.30	3.71	-70.26
CC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450851	0	51	0.0	-61.45	395.88	3.05	-58.40
CC[N@@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450851	1	51	0.0	-72.09	398.85	2.39	-69.70
CC[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)C1CC1	REAL300024450861	0	55	0.0	-58.55	426.74	4.42	-54.13
CC[N@@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)C1CC1	REAL300024450861	1	55	0.0	-58.99	424.20	4.40	-54.59
CC[NH+](CC)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450867	0	57	0.0	-62.50	431.83	4.03	-58.47
CC1C(NC(=O)C=CC[NH+](C)C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450882	0	52	0.0	-66.62	415.37	3.65	-62.97
CC(CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024450899	0	57	0.0	-63.39	435.12	4.06	-59.33
CC[N@@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450903	1	52	0.0	-71.73	412.76	2.68	-69.05
CC[N@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024450903	1	52	0.0	-71.53	412.76	2.73	-68.80
C=CCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024450924	0	55	0.0	-58.69	421.29	3.91	-54.78
CC1C(NC(=O)C[NH+]2CC3CC3C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450932	0	53	0.0	-61.28	412.68	4.23	-57.05
CCCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024450937	0	57	0.0	-61.41	432.37	4.32	-57.09
CC1C(NC(=O)C(C)(C)[NH+](C)C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450939	0	54	0.0	-77.27	408.98	2.71	-74.56
CC1C(NC(=O)C2CCCC[N@@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450949	0	55	0.0	-59.49	420.25	3.95	-55.54
CC1C(NC(=O)C2CCCC[N@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450949	1	55	0.0	-67.88	423.20	3.31	-64.57
CC1C(NC(=O)C2([NH+](C)C)CC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450985	0	52	0.0	-60.75	404.10	3.52	-57.23
CC1C(NC(=O)CC[NH+]2CCCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450986	0	55	0.0	-62.77	426.47	4.11	-58.66
CC1C(NC(=O)C23CC(C2)C[N@@H+]3C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450996	0	53	0.0	-60.16	404.27	3.64	-56.52
CC1C(NC(=O)C23CC(C2)C[N@H+]3C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450996	1	53	0.0	-76.24	411.75	2.96	-73.28
CC(C[NH+](C)C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451031	0	54	0.0	-73.91	419.52	2.98	-70.93
CC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+]1CC(C)C1	REAL300024451051	1	55	0.0	-59.50	428.62	4.03	-55.47
CC1CC[N@@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451052	1	52	0.0	-69.92	406.92	2.53	-67.39
CC1CC[N@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451052	1	52	0.0	-60.38	409.46	3.48	-56.90
CC1C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024451083	0	55	0.0	-74.40	430.69	3.45	-70.95
CC(CC[NH+](C)C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451084	0	57	0.0	-73.92	441.16	3.61	-70.31
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CCC[N@@H+]1C	REAL300024451253	0	52	0.0	-73.58	399.89	2.12	-71.46
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CCC[N@H+]1C	REAL300024451253	1	52	0.0	-73.54	400.08	2.13	-71.41
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CC1CC[N@H+](C)C1	REAL300024451427	0	55	0.0	-70.92	424.39	3.97	-66.95
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CC1CC[N@@H+](C)C1	REAL300024451427	1	55	0.0	-75.77	427.69	3.25	-72.52
CCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024451430	0	54	0.0	-72.39	410.53	2.64	-69.75
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CCCC[NH+](C)C	REAL300024451439	0	57	0.0	-75.78	446.48	3.82	-71.96
CCC[N@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451442	0	57	0.0	-75.36	442.73	3.63	-71.73
CCC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451442	1	57	0.0	-75.43	442.73	3.64	-71.79
CCC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451443	0	54	0.0	-73.65	420.32	3.00	-70.65
CCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451443	1	54	0.0	-72.79	420.37	3.03	-69.76
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1(C[NH+](C)C)CC1	REAL300024451473	0	55	0.0	-71.93	427.23	3.80	-68.13
CC[N@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451478	0	54	0.0	-72.65	418.24	3.57	-69.08
CC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451478	1	54	0.0	-75.36	421.19	2.87	-72.49
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CC[NH+](C)CC1	REAL300024451493	0	55	0.0	-76.37	422.33	3.05	-73.32
CC1CCC[N@@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451531	0	55	0.0	-69.85	426.59	3.39	-66.46
CC1CCC[N@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451531	1	55	0.0	-68.79	423.31	4.06	-64.73
CC1CC[N@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024451546	0	55	0.0	-72.10	427.25	3.34	-68.76
CC1CC[N@@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024451546	1	55	0.0	-72.91	426.47	3.36	-69.55
CC[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024451548	0	54	0.0	-71.74	411.39	2.67	-69.07
CC1=[NH+]C=CN1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451582	1	50	0.0	-69.31	410.57	3.22	-66.09
CC1=C[NH+]=CN1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451597	1	50	0.0	-71.56	409.79	3.90	-67.66
C[C@@H]1[C@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)CC[N@@H+]1C	REAL300024451598	0	55	0.0	-75.77	414.08	3.40	-72.37
C[C@@H]1[C@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)CC[N@H+]1C	REAL300024451598	1	55	0.0	-73.94	423.08	2.87	-71.07
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N@H+](C)C1CCC1	REAL300024451621	0	55	0.0	-70.64	427.37	3.59	-67.05
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N@@H+](C)C1CCC1	REAL300024451621	1	55	0.0	-71.43	427.17	3.58	-67.85
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CC[NH+](C)CC1	REAL300024451627	0	55	0.0	-76.37	422.33	3.05	-73.32
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300024451637	0	52	0.0	-67.52	398.04	3.03	-64.49
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300024451637	1	52	0.0	-68.64	395.22	2.87	-65.77
CC1C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)CC[N@@H+]1C	REAL300024451697	0	55	0.0	-75.16	420.40	3.14	-72.02
CC1C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)CC[N@H+]1C	REAL300024451697	1	55	0.0	-75.02	418.06	2.60	-72.42
C[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024451731	0	51	0.0	-68.41	393.96	2.66	-65.75
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CC[NH+]1CCCC1	REAL300024451749	0	55	0.0	-74.78	429.41	3.38	-71.40
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N@H+](C)CCO	REAL300024451754	1	52	0.0	-73.77	409.17	-0.98	-74.75
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N@@H+](C)CCO	REAL300024451754	1	52	0.0	-73.48	409.20	-0.96	-74.44
CC1C[NH+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024451793	1	52	0.0	-73.00	412.36	2.71	-70.29
CC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451818	0	51	0.0	-73.32	398.82	2.27	-71.05
CC[N@@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451818	1	51	0.0	-73.22	398.82	2.25	-70.97
CC(CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024451863	0	57	0.0	-76.58	434.41	3.43	-73.15
CC[N@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)C1CC1	REAL300024451867	0	55	0.0	-70.22	430.28	3.64	-66.58
CC[N@@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)C1CC1	REAL300024451867	1	55	0.0	-68.53	423.95	4.31	-64.22
CC(C[NH+](C)C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451886	0	54	0.0	-67.01	416.47	2.72	-64.29
C[C@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024451898	0	51	0.0	-70.66	398.14	2.02	-68.64
CC[N@@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451901	1	52	0.0	-71.73	412.33	2.57	-69.16
CC[N@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451901	1	52	0.0	-69.50	403.71	2.21	-67.29
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=C[NH+]=CC=C1N	REAL300024451911	0	48	0.0	-72.26	389.03	0.24	-72.02
CCCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024451915	0	57	0.0	-71.75	430.14	3.28	-68.47
CC(CC[NH+](C)C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024451925	0	57	0.0	-74.16	438.54	3.29	-70.87
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300024451981	0	53	0.0	-71.57	413.64	4.15	-67.42
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CCCC[N@@H+]1C	REAL300024451988	0	55	0.0	-68.00	418.80	3.84	-64.16
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CCCC[N@H+]1C	REAL300024451988	1	55	0.0	-70.43	420.75	3.12	-67.31
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C=C1CC[N@H+](C)C1	REAL300024452007	0	53	0.0	-72.47	415.17	3.89	-68.58
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300024452007	1	53	0.0	-75.61	418.89	3.19	-72.42
CC1C(NC(=O)CSC2=NC(=O)NN2)CCCN1C(=O)CN=[N+]=[N-]	REAL300024452012	0	42	0.0	-23.50	358.10	-2.80	-26.30
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024452025	0	52	0.0	-73.06	399.66	2.15	-70.91
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300024452025	1	52	0.0	-70.80	404.34	2.48	-68.32
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024452061	0	55	0.0	-75.56	430.27	3.36	-72.20
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CCCCC1	REAL300024452095	0	55	0.0	-70.72	420.02	4.14	-66.58
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CCC[N@H+](C)C1	REAL300024452096	0	55	0.0	-70.22	419.02	3.62	-66.60
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CCC[N@@H+](C)C1	REAL300024452096	1	55	0.0	-71.41	419.47	3.68	-67.73
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N+]1=CN(C)C=C1	REAL300024452097	0	50	0.0	-70.59	412.37	5.12	-65.47
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N@H+](C)C1CC1	REAL300024452106	0	52	0.0	-70.94	410.52	3.03	-67.91
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N@@H+](C)C1CC1	REAL300024452106	1	52	0.0	-70.49	410.36	3.01	-67.48
CC(CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)C[NH+](C)C	REAL300024452114	0	57	0.0	-74.83	438.31	3.66	-71.17
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CC1C[NH+](C)C1	REAL300024452154	0	52	0.0	-71.65	409.70	3.15	-68.50
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+](C)C	REAL300024452161	0	48	0.0	-74.01	381.12	1.61	-72.40
C[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024452169	0	51	0.0	-68.41	393.96	2.66	-65.75
CC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+]1CC(C)C1	REAL300024452179	0	55	0.0	-70.47	422.35	2.82	-67.65
CC1CC[N@@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024452180	1	52	0.0	-72.37	412.37	2.72	-69.65
CC1CC[N@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024452180	1	52	0.0	-70.54	409.47	3.38	-67.16
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C=CC[NH+](C)C	REAL300024452181	0	52	0.0	-77.48	417.37	2.87	-74.61
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300024452184	1	55	0.0	-73.21	431.52	3.19	-70.02
CC[NH+](CC)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024452197	0	54	0.0	-71.97	416.86	2.94	-69.03
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CCC1	REAL300024452202	1	49	0.0	-72.83	391.43	2.09	-70.74
CC[NH+](CC)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024452216	0	57	0.0	-74.12	438.60	3.58	-70.54
CC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+]1CCC1	REAL300024452237	1	52	0.0	-71.12	407.71	2.48	-68.64
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024452255	0	55	0.0	-66.09	418.64	3.88	-62.21
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300024452255	1	55	0.0	-70.17	410.34	2.74	-67.43
C=CCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300024452271	0	55	0.0	-70.61	422.03	3.03	-67.58
CC1C(NC(=O)CSC(N)=[NH2+])CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024452291	0	46	0.0	-74.63	389.04	-1.34	-75.97
CCC1C[NH+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300024452346	1	55	0.0	-73.34	433.78	3.57	-69.77
CC1C(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024452350	0	52	0.0	-61.27	398.14	2.92	-58.35
CC1C(NC(=O)[C@@H]2CCC[N@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024452350	1	52	0.0	-58.77	403.98	3.33	-55.44
CC1C(NC(=O)C[NH+]2CCCCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024452357	0	55	0.0	-72.00	422.84	3.58	-68.42
CC1C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)CC[N@@H+]1C	REAL300024452361	0	55	0.0	-62.38	415.84	3.53	-58.85
CC1C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)CC[N@H+]1C	REAL300024452361	1	55	0.0	-72.99	416.37	2.95	-70.04
C[N@@H+]1CCCC1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452599	0	52	0.0	-72.80	414.93	1.03	-71.77
C[N@H+]1CCCC1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452599	1	52	0.0	-72.32	415.41	1.11	-71.21
C[N@@H+]1CCOC(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024452623	1	53	0.0	-74.99	425.50	0.78	-74.21
C[N@H+]1CCOC(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024452623	1	53	0.0	-74.52	425.41	0.73	-73.79
CC1=[NH+]C=CN1CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452762	1	50	0.0	-68.79	424.69	2.12	-66.67
C[C@@H]1[C@H](C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024452780	0	55	0.0	-77.24	431.82	1.48	-75.76
C[C@@H]1[C@H](C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024452780	1	55	0.0	-72.87	437.24	1.96	-70.91
C[NH+](C)C1(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024452800	0	55	0.0	-74.55	429.18	1.81	-72.74
CC(C)[C@@H](C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024452802	0	57	0.0	-68.15	441.30	2.96	-65.19
C[N@H+](CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024452811	0	55	0.0	-68.51	441.20	2.48	-66.03
C[N@@H+](CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024452811	1	55	0.0	-71.77	440.76	2.42	-69.35
C[NH+]1CCC(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024452835	0	55	0.0	-78.86	439.23	2.10	-76.76
C[N@@H+]1CCCCC1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452841	0	55	0.0	-69.39	427.91	1.92	-67.47
C[N@H+]1CCCCC1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452841	1	55	0.0	-70.50	428.14	1.96	-68.54
CC1=C[NH+]=CN1CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452858	1	50	0.0	-73.11	423.69	2.80	-70.31
C[N@@H+]1CCC(CC(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024452868	0	55	0.0	-75.90	441.06	2.09	-73.81
C[N@H+]1CCC(CC(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024452868	1	55	0.0	-74.61	441.47	2.05	-72.56
CCC(C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024452871	0	54	0.0	-72.02	428.26	1.61	-70.41
C[NH+](C)CCCCC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452885	0	57	0.0	-74.83	460.62	2.64	-72.19
CC(C)C(C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024452888	0	57	0.0	-71.98	444.08	2.66	-69.32
CCC[N@H+](C)CCC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452889	0	57	0.0	-75.96	456.59	2.45	-73.51
CCC[N@@H+](C)CCC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452889	1	57	0.0	-76.04	456.58	2.45	-73.59
CCC[N@H+](C)CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452890	0	54	0.0	-70.54	434.21	1.91	-68.63
CCC[N@@H+](C)CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452890	1	54	0.0	-73.63	434.22	1.91	-71.72
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452905	0	52	0.0	-72.62	414.83	1.05	-71.57
C[N@H+]1CCC[C@@H]1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452905	1	52	0.0	-69.85	420.53	1.46	-68.39
CC[NH+](CC)CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024452917	0	54	0.0	-70.04	426.84	1.58	-68.46
C[NH+](C)CC1(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024452971	0	55	0.0	-74.30	446.67	2.24	-72.06
C[NH+]1CCC(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024452993	0	55	0.0	-78.86	439.23	2.10	-76.76
CC(C)[C@H](C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024453008	0	57	0.0	-71.23	444.59	2.77	-68.46
CC[N@H+](C)CCC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453035	0	54	0.0	-75.21	435.09	1.70	-73.51
CC[N@@H+](C)CCC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453035	1	54	0.0	-75.58	434.74	1.64	-73.94
CC1CCC[N@@H+]1CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453045	0	55	0.0	-69.06	440.39	2.34	-66.72
CC1CCC[N@H+]1CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453045	1	55	0.0	-68.62	433.77	1.83	-66.79
CC1CC[N@H+](CC(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453046	0	55	0.0	-71.14	440.53	2.26	-68.88
CC1CC[N@@H+](CC(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453046	1	55	0.0	-72.88	439.98	2.12	-70.76
CC[C@@H](C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024453048	0	54	0.0	-68.95	425.67	1.52	-67.43
C[NH+](C)CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453084	0	48	0.0	-72.11	395.26	0.50	-71.61
CN1C=C[N+](CC(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024453085	0	50	0.0	-71.76	425.88	3.94	-67.82
C[N@@H+]1CCCC(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453088	0	55	0.0	-67.50	432.92	2.27	-65.23
C[N@H+]1CCCC(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453088	1	55	0.0	-72.55	439.84	2.11	-70.44
CC(C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024453095	1	52	0.0	-70.67	423.57	1.64	-69.03
C[NH+](C)CC(C)(C)C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453098	0	57	0.0	-72.08	445.09	2.23	-69.85
C[N@H+](CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024453105	0	52	0.0	-70.66	424.26	1.90	-68.76
C[N@@H+](CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024453105	1	52	0.0	-69.47	424.66	1.91	-67.56
C[NH+]1CC(CC(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453116	0	52	0.0	-72.90	426.70	1.33	-71.57
C[C@@H](C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024453128	0	51	0.0	-71.57	413.48	0.96	-70.61
[N-]=[N+]=NCC(=O)NC1CCC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024453135	0	42	0.0	-24.55	372.22	-3.90	-28.45
C[C@@H](C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024453166	0	51	0.0	-71.57	413.48	0.96	-70.61
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453169	0	55	0.0	-70.90	427.47	1.94	-68.96
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453169	1	55	0.0	-68.63	437.04	2.15	-66.48
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC(NC(=O)C[NH+]2CCC2)C1	REAL300024453196	1	49	0.0	-73.76	405.14	0.99	-72.77
C[N@@H+]1CCC(=CC(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453205	0	53	0.0	-76.99	433.83	2.03	-74.96
C[N@H+]1CCC(=CC(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453205	1	53	0.0	-75.65	433.98	1.99	-73.66
C[C@H](C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024453223	0	51	0.0	-70.30	413.39	0.92	-69.38
CC1C[NH+](CC(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453239	1	52	0.0	-73.29	426.64	1.66	-71.63
C[N@H+](CCO)CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453252	1	52	0.0	-74.06	423.07	-2.07	-76.13
C[N@@H+](CCO)CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453252	1	52	0.0	-70.75	422.84	-2.08	-72.83
CC(CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024453264	0	57	0.0	-73.92	452.44	2.50	-71.42
CC[N@H+](C)CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453266	0	51	0.0	-70.18	412.71	1.17	-69.01
CC[N@@H+](C)CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453266	1	51	0.0	-73.19	412.72	1.17	-72.02
CC[N@H+](CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024453276	0	55	0.0	-69.98	443.58	2.52	-67.46
CC[N@@H+](CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024453276	1	55	0.0	-70.67	441.35	2.48	-68.19
CC[NH+](CC)CCC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453282	0	57	0.0	-72.48	453.20	2.42	-70.06
CC1(C)C[NH+](CC(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453290	1	55	0.0	-72.34	445.76	2.05	-70.29
C[NH+](C)CC=CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453297	0	52	0.0	-76.27	432.48	1.75	-74.52
CC(CCC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024453314	0	57	0.0	-75.46	448.90	2.23	-73.23
CC[N@@H+]1CCC1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453318	1	52	0.0	-69.98	418.38	1.01	-68.97
CC[N@H+]1CCC1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453318	1	52	0.0	-70.85	426.71	1.50	-69.35
C=CCC(C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024453339	0	55	0.0	-69.79	437.69	1.89	-67.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC(NC(=O)C[NH+]2CC3CC3C2)C1	REAL300024453347	0	53	0.0	-73.83	429.98	2.31	-71.52
CCCC(C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024453352	0	57	0.0	-72.52	449.76	2.37	-70.15
C[NH+](C)C(C)(C)C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453354	0	54	0.0	-74.21	423.03	1.59	-72.62
C[N@@H+]1CCCCC1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453364	0	55	0.0	-69.39	427.91	1.92	-67.47
C[N@H+]1CCCCC1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453364	1	55	0.0	-70.50	428.14	1.96	-68.54
C[NH+](C)C1(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024453400	0	52	0.0	-76.05	423.57	1.74	-74.31
O=C(CC[NH+]1CCCC1)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453401	0	55	0.0	-74.72	442.85	2.21	-72.51
C[N@@H+]1CC2CC1(C(=O)NC1CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024453411	0	53	0.0	-75.56	427.81	1.70	-73.86
C[N@H+]1CC2CC1(C(=O)NC1CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024453411	1	53	0.0	-76.22	427.40	1.67	-74.55
CC(C[NH+](C)C)C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453446	0	54	0.0	-75.21	433.04	1.71	-73.50
CC(C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024453466	1	55	0.0	-70.60	442.90	2.28	-68.32
CC1CC[N@@H+]1CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453467	1	52	0.0	-71.44	420.62	1.32	-70.12
CC1CC[N@H+]1CC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453467	1	52	0.0	-69.51	421.45	1.43	-68.08
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453498	0	55	0.0	-72.62	444.85	2.18	-70.44
CC(CC[NH+](C)C)C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453499	0	57	0.0	-75.42	454.68	2.33	-73.09
C[N@@H+]1CCCC1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453668	0	52	0.0	-69.84	421.02	1.42	-68.42
C[N@H+]1CCCC1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453668	1	52	0.0	-72.87	415.05	1.02	-71.85
C[N@@H+]1CCOC(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453694	1	53	0.0	-83.60	432.75	1.02	-82.58
C[N@H+]1CCOC(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453694	1	53	0.0	-76.99	425.11	0.80	-76.19
C[N@@H+]1CCC(CC(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453844	0	55	0.0	-76.92	441.37	2.10	-74.82
C[N@H+]1CCC(CC(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024453844	1	55	0.0	-76.27	441.38	2.14	-74.13
CCC(C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024453847	0	54	0.0	-71.03	425.23	1.52	-69.51
C[NH+](C)CCCCC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453857	0	57	0.0	-76.69	460.35	2.63	-74.06
CC(C)C(C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024453860	0	57	0.0	-71.89	439.31	2.01	-69.88
CCC[N@H+](C)CCC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453861	0	57	0.0	-76.75	456.23	2.39	-74.36
CCC[N@@H+](C)CCC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453861	1	57	0.0	-76.52	456.58	2.44	-74.08
CCC[N@H+](C)CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453862	0	54	0.0	-74.29	433.87	1.85	-72.44
CCC[N@@H+](C)CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453862	1	54	0.0	-74.30	434.21	1.90	-72.40
C[NH+](C)CC1(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024453901	0	55	0.0	-77.17	446.80	2.28	-74.89
CC[N@H+](C)CCC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453907	0	54	0.0	-75.64	435.08	1.71	-73.93
CC[N@@H+](C)CCC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453907	1	54	0.0	-75.65	435.08	1.72	-73.93
C[NH+]1CCC(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024453929	0	55	0.0	-78.51	439.55	2.15	-76.36
CC(C)[C@H](C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024453944	0	57	0.0	-71.68	444.71	2.53	-69.15
C[NH+](C)C1(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024453966	0	55	0.0	-76.80	427.77	2.14	-74.66
CC1CCC[N@@H+]1CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453990	0	55	0.0	-71.19	441.02	2.15	-69.04
CC1CCC[N@H+]1CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024453990	1	55	0.0	-70.78	440.54	2.34	-68.44
CC(C)[C@@H](C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024454001	0	57	0.0	-71.80	440.44	2.06	-69.74
CC1CC[N@H+](CC(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024454009	0	55	0.0	-73.16	440.89	2.08	-71.08
CC1CC[N@@H+](CC(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024454009	1	55	0.0	-73.29	440.17	2.19	-71.10
CC[C@@H](C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024454011	0	54	0.0	-71.18	425.24	1.53	-69.65
CC1=[NH+]C=CN1CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454048	1	50	0.0	-71.22	424.42	2.11	-69.11
CC1=C[NH+]=CN1CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454066	1	50	0.0	-73.55	423.35	2.73	-70.82
C[C@@H]1[C@H](C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024454067	0	55	0.0	-75.35	432.16	1.66	-73.69
C[C@@H]1[C@H](C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024454067	1	55	0.0	-73.86	437.47	2.06	-71.80
C[N@H+](CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024454097	0	55	0.0	-72.21	440.73	2.41	-69.80
C[N@@H+](CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024454097	1	55	0.0	-72.33	441.22	2.49	-69.84
C[NH+]1CCC(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024454103	0	55	0.0	-78.51	439.55	2.15	-76.36
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454116	0	52	0.0	-73.03	414.84	1.05	-71.98
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454116	1	52	0.0	-70.50	421.23	1.55	-68.95
C[N@@H+]1CCCCC1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454159	0	55	0.0	-70.52	437.05	2.05	-68.47
C[N@H+]1CCCCC1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454159	1	55	0.0	-70.54	437.03	2.14	-68.40
CC1C(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024454188	0	55	0.0	-73.79	437.22	1.93	-71.86
CC1C(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024454188	1	55	0.0	-72.89	436.02	1.71	-71.18
C[C@@H](C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024454229	0	51	0.0	-72.35	412.93	0.92	-71.43
O=C(CC[NH+]1CCCC1)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454247	0	55	0.0	-75.42	442.97	2.16	-73.26
C[N@H+](CCO)CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454252	1	52	0.0	-74.69	423.07	-2.07	-76.76
C[N@@H+](CCO)CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454252	1	52	0.0	-74.75	422.50	-2.14	-76.89
CC1C[NH+](CC(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024454295	1	52	0.0	-73.69	426.35	1.56	-72.13
CC[N@H+](C)CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454327	0	51	0.0	-73.87	412.37	1.10	-72.77
CC[N@@H+](C)CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454327	1	51	0.0	-73.90	412.37	1.11	-72.79
CC(CCC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024454380	0	57	0.0	-74.28	452.27	2.22	-72.06
CC[N@H+](CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024454385	0	55	0.0	-70.95	444.18	2.54	-68.41
CC[N@@H+](CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024454385	1	55	0.0	-71.38	441.35	2.48	-68.90
C[N@@H+]1CC2CC1(C(=O)NCC1CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024454398	0	53	0.0	-76.50	426.87	1.70	-74.80
C[N@H+]1CC2CC1(C(=O)NCC1CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024454398	1	53	0.0	-76.05	426.09	1.61	-74.44
CC(C[NH+](C)C)C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454407	0	54	0.0	-69.91	433.19	1.85	-68.06
C[NH+](C)C1(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024454413	0	52	0.0	-76.63	419.05	1.68	-74.95
C[C@H](C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024454423	0	51	0.0	-73.05	412.77	0.85	-72.20
CC[N@@H+]1CCC1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454426	1	52	0.0	-72.70	426.74	1.45	-71.25
CC[N@H+]1CCC1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454426	1	52	0.0	-72.64	426.71	1.58	-71.06
NC1=CC=[NH+]C=C1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454437	0	48	0.0	-76.46	403.10	-1.10	-77.56
CCCC(C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024454441	0	57	0.0	-72.66	450.24	2.87	-69.79
C[NH+](C)C(C)(C)C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454444	0	54	0.0	-77.67	422.45	1.64	-76.03
CC(CC[NH+](C)C)C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454453	0	57	0.0	-75.53	455.02	2.38	-73.15
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(CNC(=O)C[NH+]2CC3CC3C2)C1	REAL300024454512	0	53	0.0	-74.30	430.32	2.37	-71.93
C[N@@H+]1CCCCC1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454520	0	55	0.0	-70.52	437.05	2.05	-68.47
C[N@H+]1CCCCC1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454520	1	55	0.0	-70.54	437.03	2.14	-68.40
C[N@@H+]1CCC(=CC(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024454545	0	53	0.0	-77.64	432.88	2.05	-75.59
C[N@H+]1CCC(=CC(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024454545	1	53	0.0	-76.80	434.01	1.99	-74.81
[N-]=[N+]=NCC(=O)NCC1CCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024454552	0	42	0.0	-25.18	371.96	-3.90	-29.08
CCC1C[NH+](CC(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024454568	1	55	0.0	-74.64	447.72	2.32	-72.32
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454573	0	52	0.0	-69.89	421.05	1.52	-68.37
C[N@H+]1CCC[C@H]1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454573	1	52	0.0	-72.98	415.29	1.05	-71.93
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024454613	0	55	0.0	-74.59	444.61	2.27	-72.32
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(CNC(=O)C[NH+]2CCCCC2)C1	REAL300024454654	0	55	0.0	-73.83	436.36	2.30	-71.53
C[N@@H+]1CCCC(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024454655	0	55	0.0	-74.58	439.40	2.12	-72.46
C[N@H+]1CCCC(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024454655	1	55	0.0	-68.05	433.30	2.31	-65.74
CN1C=C[N+](CC(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024454656	0	50	0.0	-72.38	426.22	4.00	-68.38
C[N@H+](CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024454666	0	52	0.0	-71.31	423.90	1.84	-69.47
C[N@@H+](CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024454666	1	52	0.0	-71.87	424.39	1.90	-69.97
CC(CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024454674	0	57	0.0	-76.02	452.17	2.49	-73.53
C[NH+]1CC(CC(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024454723	0	52	0.0	-74.97	426.43	1.32	-73.65
C[NH+](C)CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454730	0	48	0.0	-74.51	394.99	0.49	-74.02
C[C@@H](C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024454738	0	51	0.0	-72.35	412.93	0.92	-71.43
CC(C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024454752	1	55	0.0	-70.85	443.58	2.18	-68.67
CC1CC[N@@H+]1CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454753	1	52	0.0	-71.56	420.86	1.37	-70.19
CC1CC[N@H+]1CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454753	1	52	0.0	-72.38	426.48	1.55	-70.83
C[NH+](C)CC=CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454755	0	52	0.0	-78.22	430.95	1.70	-76.52
CC1(C)C[NH+](CC(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024454759	1	55	0.0	-73.95	445.43	2.14	-71.81
CC[NH+](CC)CC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454772	0	54	0.0	-72.50	426.57	1.58	-70.92
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(CNC(=O)C[NH+]2CCC2)C1	REAL300024454777	1	49	0.0	-74.55	404.73	0.86	-73.69
CC[NH+](CC)CCC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454795	0	57	0.0	-75.15	448.59	2.14	-73.01
CC(C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024454823	1	52	0.0	-71.76	424.83	1.46	-70.30
C[NH+](C)CC(C)(C)C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454827	0	57	0.0	-70.82	442.52	2.20	-68.62
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454847	0	55	0.0	-71.07	428.04	1.99	-69.08
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454847	1	55	0.0	-71.45	436.58	2.02	-69.43
C=CCC(C(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024454866	0	55	0.0	-70.57	438.03	1.94	-68.63
NC(=[NH2+])SCC(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454889	0	46	0.0	-73.66	403.18	-2.55	-76.21
CCC1C[NH+](CC(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024454944	1	55	0.0	-72.98	447.52	2.29	-70.69
C[N@@H+]1CCC[C@H]1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454948	0	52	0.0	-70.25	420.89	1.55	-68.70
C[N@H+]1CCC[C@H]1C(=O)NC1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024454948	1	52	0.0	-71.33	415.10	1.00	-70.33
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC(NC(=O)C[NH+]2CCCCC2)C1	REAL300024454955	0	55	0.0	-73.21	437.10	2.37	-70.84
CC1C(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024454959	0	55	0.0	-70.79	436.53	1.71	-69.08
CC1C(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024454959	1	55	0.0	-72.49	435.24	1.60	-70.89
C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455166	0	52	0.0	-61.97	412.54	2.20	-59.77
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455166	1	52	0.0	-63.58	408.94	1.80	-61.78
C[N@@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455190	1	53	0.0	-70.27	423.24	1.73	-68.54
C[N@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455190	1	53	0.0	-70.55	416.33	1.57	-68.98
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455329	1	50	0.0	-60.64	417.38	2.98	-57.66
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC[N@@H+]1C	REAL300024455347	0	55	0.0	-66.86	425.11	2.72	-64.14
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC[N@H+]1C	REAL300024455347	1	55	0.0	-63.92	431.37	3.00	-60.92
C[NH+](C)C1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CCC1	REAL300024455367	0	55	0.0	-61.04	416.75	2.10	-58.94
CC(C)[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024455369	0	57	0.0	-62.16	430.55	3.06	-59.10
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CCC1	REAL300024455378	0	55	0.0	-62.62	436.80	3.48	-59.14
C[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CCC1	REAL300024455378	1	55	0.0	-60.41	435.15	3.37	-57.04
C[NH+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC1	REAL300024455402	0	55	0.0	-79.06	434.16	3.00	-76.06
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455408	0	55	0.0	-62.05	429.79	2.82	-59.23
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455408	1	55	0.0	-60.45	429.30	3.00	-57.45
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455425	1	50	0.0	-64.60	418.75	3.74	-60.86
C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455435	0	55	0.0	-68.34	437.28	3.09	-65.25
C[N@H+]1CCC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455435	1	55	0.0	-67.35	437.60	3.09	-64.26
CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024455438	0	54	0.0	-60.12	417.94	2.40	-57.72
C[NH+](C)CCCCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455452	0	57	0.0	-67.04	454.35	3.58	-63.46
CC(C)C(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024455455	0	57	0.0	-64.11	433.40	3.08	-61.03
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455456	0	57	0.0	-65.79	450.59	3.39	-62.40
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455456	1	57	0.0	-65.50	450.59	3.41	-62.09
CCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455457	0	54	0.0	-64.39	429.93	2.91	-61.48
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455457	1	54	0.0	-62.43	428.15	2.79	-59.64
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455472	0	52	0.0	-61.87	409.60	1.94	-59.93
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455472	1	52	0.0	-61.78	412.36	2.31	-59.47
CC[NH+](CC)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455484	0	54	0.0	-61.68	420.72	2.48	-59.20
C[NH+](C)CC1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC1	REAL300024455538	0	55	0.0	-65.34	434.25	3.40	-61.94
C[NH+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC1	REAL300024455560	0	55	0.0	-79.06	434.16	3.00	-76.06
CC(C)[C@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024455575	0	57	0.0	-62.34	432.40	2.85	-59.49
CC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455602	0	54	0.0	-65.16	429.09	2.65	-62.51
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455602	1	54	0.0	-64.94	429.09	2.68	-62.26
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455612	0	55	0.0	-60.96	429.04	2.70	-58.26
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455612	1	55	0.0	-61.58	436.20	3.27	-58.31
CC1CC[N@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455613	0	55	0.0	-63.29	433.82	3.26	-60.03
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455613	1	55	0.0	-63.27	437.00	3.20	-60.07
CC[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024455615	0	54	0.0	-63.11	417.45	2.71	-60.40
C[NH+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455651	0	48	0.0	-64.02	388.99	1.41	-62.61
CN1C=C[N+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)=C1	REAL300024455652	0	50	0.0	-62.34	421.93	5.01	-57.33
C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455655	0	55	0.0	-77.57	432.79	3.11	-74.46
C[N@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455655	1	55	0.0	-67.91	435.32	2.97	-64.94
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+]1CCC1	REAL300024455662	1	52	0.0	-62.03	418.62	2.26	-59.77
C[NH+](C)CC(C)(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455665	0	57	0.0	-65.26	429.79	2.62	-62.64
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CC1	REAL300024455672	0	52	0.0	-60.67	418.26	2.83	-57.84
C[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CC1	REAL300024455672	1	52	0.0	-61.48	418.39	2.83	-58.65
C[NH+]1CC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455683	0	52	0.0	-64.44	420.33	2.26	-62.18
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024455695	0	51	0.0	-62.83	408.01	1.86	-60.97
CC1(C)CN(C(=O)CN=[N+]=[N-])CC1NC(=O)CSC1=NC(=O)NN1	REAL300024455702	0	42	0.0	-22.39	365.96	-2.98	-25.37
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024455733	0	51	0.0	-62.83	408.01	1.86	-60.97
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455736	0	55	0.0	-62.36	417.33	2.31	-60.05
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455736	1	55	0.0	-59.09	429.55	2.97	-56.12
CC1(C)CN(C(=O)C[NH+]2CCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024455763	1	49	0.0	-64.31	401.21	1.95	-62.36
C[N@@H+]1CCC(=CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455772	0	53	0.0	-69.82	427.46	2.88	-66.94
C[N@H+]1CCC(=CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455772	1	53	0.0	-69.84	428.08	3.04	-66.80
C[C@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024455790	0	51	0.0	-64.17	406.85	1.77	-62.40
CC1C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455806	1	52	0.0	-64.20	422.00	2.59	-61.61
C[N@H+](CCO)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455819	1	52	0.0	-64.54	417.07	-1.16	-65.70
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455819	1	52	0.0	-64.67	418.57	-1.07	-65.74
CC(CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C[NH+](C)C	REAL300024455831	0	57	0.0	-65.81	446.17	3.44	-62.37
CC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455833	0	51	0.0	-64.03	408.43	2.16	-61.87
CC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455833	1	51	0.0	-63.16	406.72	2.08	-61.08
CC[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CC1	REAL300024455843	0	55	0.0	-61.44	430.58	2.98	-58.46
CC[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CC1	REAL300024455843	1	55	0.0	-61.60	430.31	2.98	-58.62
CC[NH+](CC)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455849	0	57	0.0	-64.10	446.94	3.37	-60.73
CC1(C)C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024455857	1	55	0.0	-63.84	440.67	2.91	-60.93
C[NH+](C)CC=CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455864	0	52	0.0	-69.81	424.38	2.84	-66.97
CC(CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024455881	0	57	0.0	-64.26	446.34	3.19	-61.07
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455885	1	52	0.0	-62.36	412.25	2.29	-60.07
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455885	1	52	0.0	-63.87	419.79	2.18	-61.69
C=CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024455906	0	55	0.0	-60.36	431.18	2.89	-57.47
CC1(C)CN(C(=O)C[NH+]2CC3CC3C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024455914	0	53	0.0	-62.13	424.38	3.27	-58.86
CCCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300024455919	0	57	0.0	-61.39	441.65	3.23	-58.16
C[NH+](C)C(C)(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455921	0	54	0.0	-60.04	408.87	1.78	-58.26
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455931	0	55	0.0	-62.05	429.79	2.82	-59.23
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024455931	1	55	0.0	-60.45	429.30	3.00	-57.45
C[NH+](C)C1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC1	REAL300024455967	0	52	0.0	-63.32	410.94	1.90	-61.42
CC1(C)CN(C(=O)CC[NH+]2CCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024455968	0	55	0.0	-64.52	437.32	3.17	-61.35
C[N@@H+]1CC2CC1(C(=O)N1CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C1)C2	REAL300024455978	0	53	0.0	-61.38	415.06	2.62	-58.76
C[N@H+]1CC2CC1(C(=O)N1CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C1)C2	REAL300024455978	1	53	0.0	-63.73	414.26	2.62	-61.11
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024456013	0	54	0.0	-66.79	423.58	2.64	-64.15
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+]1CC(C)C1	REAL300024456033	0	55	0.0	-61.78	438.75	2.97	-58.81
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024456034	1	52	0.0	-61.09	419.78	2.64	-58.45
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024456034	1	52	0.0	-62.88	421.65	2.42	-60.46
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024456065	0	55	0.0	-66.02	437.89	3.32	-62.70
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024456066	0	57	0.0	-68.53	450.16	3.18	-65.35
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456235	0	52	0.0	-69.00	414.23	2.25	-66.75
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456235	1	52	0.0	-68.15	411.01	2.09	-66.06
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024456261	1	53	0.0	-79.02	421.21	1.80	-77.22
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024456261	1	53	0.0	-87.75	425.82	2.10	-85.65
C[N@@H+]1CCC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024456411	0	55	0.0	-67.42	435.84	3.03	-64.39
C[N@H+]1CCC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024456411	1	55	0.0	-65.19	434.81	3.24	-61.95
CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024456414	0	54	0.0	-71.45	419.12	2.64	-68.81
C[NH+](C)CCCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456424	0	57	0.0	-75.82	453.83	3.78	-72.04
CC(C)C(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024456427	0	57	0.0	-71.88	436.19	3.60	-68.28
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456428	0	57	0.0	-68.89	450.59	3.42	-65.47
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456428	1	57	0.0	-72.89	452.63	3.49	-69.40
CCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456429	0	54	0.0	-71.48	430.26	2.96	-68.52
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456429	1	54	0.0	-74.71	427.70	3.06	-71.65
C[NH+](C)CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC1	REAL300024456468	0	55	0.0	-70.62	439.99	3.55	-67.07
CC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456474	0	54	0.0	-72.07	431.13	2.76	-69.31
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456474	1	54	0.0	-72.16	431.14	2.76	-69.40
C[NH+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC1	REAL300024456496	0	55	0.0	-75.58	435.60	3.21	-72.37
CC(C)[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024456511	0	57	0.0	-70.49	437.00	3.79	-66.70
C[NH+](C)C1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CCC1	REAL300024456533	0	55	0.0	-78.24	422.97	2.65	-75.59
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456557	0	55	0.0	-72.05	433.78	3.44	-68.61
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456557	1	55	0.0	-68.08	429.71	2.92	-65.16
CC(C)[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024456568	0	57	0.0	-70.32	431.33	3.88	-66.44
CC1CC[N@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024456576	0	55	0.0	-73.82	434.66	3.30	-70.52
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024456576	1	55	0.0	-70.21	436.30	3.21	-67.00
CC[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024456578	0	54	0.0	-71.11	418.65	2.68	-68.43
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456615	1	50	0.0	-70.21	416.87	3.22	-66.99
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456633	1	50	0.0	-73.73	417.17	3.95	-69.78
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC[N@@H+]1C	REAL300024456634	0	55	0.0	-70.19	426.60	2.66	-67.53
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC[N@H+]1C	REAL300024456634	1	55	0.0	-77.59	431.31	2.89	-74.70
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CCC1	REAL300024456664	0	55	0.0	-71.53	434.79	3.27	-68.26
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CCC1	REAL300024456664	1	55	0.0	-69.14	437.16	3.53	-65.61
C[NH+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC1	REAL300024456670	0	55	0.0	-75.58	435.60	3.21	-72.37
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456683	0	52	0.0	-73.67	408.58	1.83	-71.84
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456683	1	52	0.0	-70.84	414.78	2.70	-68.14
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456726	0	55	0.0	-61.32	430.94	3.03	-58.29
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456726	1	55	0.0	-69.77	423.60	2.95	-66.82
CC1C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC[N@@H+]1C	REAL300024456755	0	55	0.0	-68.39	436.52	2.94	-65.45
CC1C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC[N@H+]1C	REAL300024456755	1	55	0.0	-70.10	431.59	2.84	-67.26
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024456796	0	51	0.0	-61.80	406.57	2.04	-59.76
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC[NH+]1CCCC1	REAL300024456814	0	55	0.0	-72.38	437.77	3.16	-69.22
C[N@H+](CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456819	1	52	0.0	-75.49	416.55	-0.93	-76.42
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456819	1	52	0.0	-71.95	418.90	-1.03	-72.98
CC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024456862	1	52	0.0	-71.16	422.29	2.64	-68.52
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456894	0	51	0.0	-70.97	408.77	2.21	-68.76
CC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456894	1	51	0.0	-74.44	406.20	2.31	-72.13
CC(CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024456947	0	57	0.0	-73.39	445.75	3.37	-70.02
CC[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CC1	REAL300024456952	0	55	0.0	-71.16	437.67	3.69	-67.47
CC[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CC1	REAL300024456952	1	55	0.0	-67.45	435.93	3.30	-64.15
C[N@@H+]1CC2CC1(C(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)CC1(C)C)C2	REAL300024456965	1	53	0.0	-61.80	421.40	2.77	-59.03
C[N@H+]1CC2CC1(C(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)CC1(C)C)C2	REAL300024456965	1	53	0.0	-63.60	419.36	2.76	-60.84
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456974	0	54	0.0	-74.97	426.91	2.93	-72.04
C[NH+](C)C1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC1	REAL300024456980	0	52	0.0	-80.02	409.85	3.12	-76.90
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024456990	0	51	0.0	-72.74	407.54	2.12	-70.62
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456993	1	52	0.0	-72.42	413.30	2.36	-70.06
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024456993	1	52	0.0	-70.52	421.99	2.39	-68.13
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=C[NH+]=CC=C1N	REAL300024457004	0	48	0.0	-65.06	396.95	0.12	-64.94
CCCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024457008	0	57	0.0	-72.86	440.37	3.42	-69.44
C[NH+](C)C(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457011	0	54	0.0	-78.51	416.04	2.45	-76.06
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457020	0	57	0.0	-74.19	448.53	3.54	-70.65
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[NH+]1CC2CC2C1	REAL300024457079	0	53	0.0	-71.36	426.51	3.44	-67.92
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457087	0	55	0.0	-61.32	430.94	3.03	-58.29
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457087	1	55	0.0	-69.77	423.60	2.95	-66.82
C[N@@H+]1CCC(=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024457112	0	53	0.0	-74.84	427.53	2.82	-72.02
C[N@H+]1CCC(=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024457112	1	53	0.0	-76.10	427.31	3.19	-72.91
CC1(C)CN(C(=O)CSC2=NC(=O)NN2)CC1NC(=O)CN=[N+]=[N-]	REAL300024457119	0	42	0.0	-23.88	365.55	-3.11	-26.99
CCC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024457135	1	55	0.0	-72.29	443.43	3.39	-68.90
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457140	0	52	0.0	-67.26	416.99	2.55	-64.71
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457140	1	52	0.0	-73.02	408.46	2.19	-70.83
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024457180	0	55	0.0	-63.73	438.59	3.18	-60.55
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[NH+]1CCCCC1	REAL300024457221	0	55	0.0	-74.61	430.20	3.51	-71.10
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024457222	0	55	0.0	-66.26	428.65	3.20	-63.06
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024457222	1	55	0.0	-63.70	429.23	3.35	-60.35
CN1C=C[N+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)=C1	REAL300024457223	0	50	0.0	-69.23	422.26	5.06	-64.17
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CC1	REAL300024457233	0	52	0.0	-68.58	420.31	2.95	-65.63
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CC1	REAL300024457233	1	52	0.0	-72.30	417.88	3.05	-69.25
CC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C[NH+](C)C	REAL300024457241	0	57	0.0	-80.01	445.59	3.62	-76.39
C[NH+]1CC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300024457290	0	52	0.0	-74.23	419.83	2.47	-71.76
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457297	0	48	0.0	-74.88	388.47	1.64	-73.24
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024457305	0	51	0.0	-61.80	406.57	2.04	-59.76
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+]1CC(C)C1	REAL300024457319	1	55	0.0	-71.39	436.93	3.42	-67.97
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457320	1	52	0.0	-71.11	414.38	2.10	-69.01
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457320	1	52	0.0	-69.42	422.25	2.60	-66.82
C[NH+](C)CC=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457322	0	52	0.0	-78.00	424.43	2.87	-75.13
CC[NH+](CC)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457339	0	54	0.0	-72.74	424.56	3.00	-69.74
CC[NH+](CC)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457362	0	57	0.0	-74.95	446.42	3.56	-71.39
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+]1CCC1	REAL300024457390	1	52	0.0	-71.20	417.16	2.74	-68.46
C[NH+](C)CC(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457394	0	57	0.0	-74.03	435.67	3.32	-70.71
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457414	0	55	0.0	-71.35	421.14	3.07	-68.28
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024457414	1	55	0.0	-58.36	430.84	3.21	-55.15
C=CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300024457433	0	55	0.0	-71.37	432.14	3.13	-68.24
CC1(C)CN(C(=O)CSC(N)=[NH2+])CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024457456	0	46	0.0	-64.78	396.91	-1.59	-66.37
CCC1C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300024457511	1	55	0.0	-65.10	443.16	3.30	-61.80
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024457515	0	52	0.0	-61.54	411.28	2.37	-59.17
C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024457515	1	52	0.0	-62.62	406.69	2.11	-60.51
CC1(C)CN(C(=O)C[NH+]2CCCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024457522	0	55	0.0	-61.61	430.65	3.24	-58.37
CC1C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC[N@@H+]1C	REAL300024457526	0	55	0.0	-64.57	431.66	2.92	-61.65
CC1C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC[N@H+]1C	REAL300024457526	1	55	0.0	-63.95	430.00	2.96	-60.99
CCC(=O)NC1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024457578	0	55	0.0	-79.54	418.81	3.20	-76.34
CC(=O)NC1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024457579	0	52	0.0	-79.82	398.50	2.39	-77.43
O=C(CO)NC1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024457580	0	53	0.0	-84.56	409.28	0.28	-84.28
CCC(=O)N1CC[NH+](C2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024457581	0	55	0.0	-80.98	422.29	3.41	-77.57
CC(=O)N1CC[NH+](C2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024457582	0	52	0.0	-80.94	401.97	2.63	-78.31
O=C(CSC1=NNC(=O)[N-]1)NC1CCC([NH+]2CCN(C(=O)CO)CC2)CC1	REAL300024457583	0	53	0.0	-86.37	412.75	0.51	-85.86
C=CC(=O)N1CC[NH+](C2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024457584	0	53	0.0	-78.82	413.06	3.11	-75.71
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024457771	0	49	0.0	-70.40	397.71	-2.06	-72.46
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024457771	1	49	0.0	-70.79	396.04	-1.32	-72.11
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300024457795	1	50	0.0	-71.48	404.03	-2.30	-73.78
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300024457795	1	50	0.0	-76.87	403.92	-2.48	-79.35
CC1=[NH+]C=CN1CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024457952	1	47	0.0	-67.76	407.07	-0.47	-68.23
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCC1CC2	REAL300024457968	0	53	0.0	-77.22	417.03	-1.14	-78.36
C[C@@H]1[C@H](C(=O)N(C)CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024457991	0	52	0.0	-71.76	411.48	-0.67	-72.43
C[C@@H]1[C@H](C(=O)N(C)CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024457991	1	52	0.0	-72.81	416.87	-0.14	-72.95
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300024458040	0	52	0.0	-74.79	407.54	-1.48	-76.27
CC(C)[C@@H](C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024458043	0	54	0.0	-70.18	421.75	-1.00	-71.18
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300024458058	0	52	0.0	-69.99	424.45	-0.62	-70.61
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300024458058	1	52	0.0	-69.95	426.10	-0.69	-70.64
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458099	1	51	0.0	-67.68	420.30	-0.54	-68.22
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458099	1	51	0.0	-68.37	426.60	0.03	-68.34
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024458116	0	52	0.0	-75.62	418.82	-0.39	-76.01
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024458135	0	52	0.0	-68.99	418.72	-1.06	-70.05
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024458135	1	52	0.0	-68.86	417.27	-1.08	-69.94
CC1=C[NH+]=CN1CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458182	1	47	0.0	-69.60	406.62	0.24	-69.36
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+]1CCC2	REAL300024458196	0	53	0.0	-67.43	416.12	-1.19	-68.62
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300024458199	0	52	0.0	-75.02	426.05	-1.04	-76.06
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300024458199	1	52	0.0	-75.09	426.42	-1.02	-76.11
CCC(C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024458204	0	51	0.0	-69.14	407.99	-0.71	-69.85
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300024458240	0	54	0.0	-75.43	443.70	-0.41	-75.84
CC(C)C(C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024458247	0	54	0.0	-67.56	418.31	-0.71	-68.27
CCC[N@H+](C)CCC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458248	0	54	0.0	-74.61	440.26	-0.57	-75.18
CCC[N@@H+](C)CCC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458248	1	54	0.0	-74.87	441.48	-0.66	-75.53
CCC[N@H+](C)CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458249	0	51	0.0	-70.70	417.42	-0.72	-71.42
CCC[N@@H+](C)CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458249	1	51	0.0	-71.77	417.90	-1.16	-72.93
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@H+](C1)CCC2	REAL300024458256	0	53	0.0	-74.44	412.27	-1.73	-76.17
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300024458256	1	53	0.0	-73.75	411.23	-1.72	-75.47
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024458274	0	49	0.0	-68.07	399.00	-1.34	-69.41
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024458274	1	49	0.0	-70.32	397.64	-2.06	-72.38
CC[NH+](CC)CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458298	0	51	0.0	-68.85	414.06	-0.79	-69.64
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300024458363	0	52	0.0	-74.56	425.65	-1.00	-75.56
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024458404	0	52	0.0	-75.62	418.82	-0.39	-76.01
CC(C)[C@H](C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024458419	0	54	0.0	-67.76	421.12	-0.68	-68.44
CC[N@H+](C)CCC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458472	0	51	0.0	-72.76	418.01	-0.80	-73.56
CC[N@@H+](C)CCC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458472	1	51	0.0	-73.99	419.99	-1.40	-75.39
CC1CCC[N@@H+]1CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458492	0	52	0.0	-67.68	423.93	-0.43	-68.11
CC1CCC[N@H+]1CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458492	1	52	0.0	-68.32	417.04	-1.21	-69.53
CC1CC[N@H+](CC(=O)N(C)CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024458493	0	52	0.0	-71.26	425.15	-0.91	-72.17
CC1CC[N@@H+](CC(=O)N(C)CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024458493	1	52	0.0	-70.09	423.44	-0.40	-70.49
CC[C@@H](C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024458498	0	51	0.0	-70.12	408.22	-0.84	-70.96
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024458558	0	45	0.0	-71.12	378.24	-2.16	-73.28
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024458561	0	47	0.0	-68.65	409.14	1.44	-67.21
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300024458564	0	52	0.0	-64.98	410.79	-0.56	-65.54
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300024458564	1	52	0.0	-73.64	419.49	-1.29	-74.93
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300024458569	0	53	0.0	-68.54	423.58	0.08	-68.46
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C1CC1	REAL300024458569	1	53	0.0	-68.71	427.74	-0.63	-69.34
CC(C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024458579	1	49	0.0	-70.48	398.78	-1.94	-72.42
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300024458587	0	54	0.0	-66.50	414.55	-0.76	-67.26
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024458595	0	49	0.0	-67.80	407.17	-0.70	-68.50
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024458595	1	49	0.0	-68.91	407.93	-1.16	-70.07
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024458608	0	49	0.0	-73.59	409.78	-1.74	-75.33
C[C@@H](C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024458625	0	48	0.0	-70.07	394.23	-2.19	-72.26
CN(CC(O)CNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024458632	0	39	0.0	-25.04	355.29	-6.99	-32.03
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300024458672	0	52	0.0	-72.90	428.09	-4.03	-76.93
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300024458672	1	52	0.0	-73.15	429.07	-4.53	-77.68
C[C@@H](C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024458673	0	48	0.0	-70.07	394.23	-2.19	-72.26
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024458676	0	52	0.0	-68.29	418.01	-0.51	-68.80
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300024458676	1	52	0.0	-72.00	411.68	-1.36	-73.36
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024458714	1	46	0.0	-71.12	387.74	-1.66	-72.78
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024458724	0	50	0.0	-76.32	417.91	-1.10	-77.42
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024458724	1	50	0.0	-76.29	416.95	-1.07	-77.36
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300024458739	0	52	0.0	-72.34	434.21	-1.47	-73.81
CC1CN(CC(=O)N(C)CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024458775	0	49	0.0	-72.01	411.16	-1.58	-73.59
CC1C[NH+](CC(=O)N(C)CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024458775	1	49	0.0	-72.01	411.16	-1.58	-73.59
CN(CCO)CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458789	0	49	0.0	-71.13	405.72	-4.68	-75.81
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024458789	1	49	0.0	-72.19	407.47	-5.26	-77.45
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024458789	1	49	0.0	-72.19	407.47	-5.26	-77.45
CC(CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024458804	0	54	0.0	-74.21	435.51	-0.55	-74.76
CC[N@H+](C)CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458807	0	48	0.0	-71.40	396.40	-1.90	-73.30
CC[N@H+](CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024458827	0	52	0.0	-68.03	424.41	-0.10	-68.13
CC[NH+](CC)CCC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458834	0	54	0.0	-73.21	431.93	-0.92	-74.13
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC(C)(C)C1	REAL300024458846	0	52	0.0	-70.94	428.33	-0.51	-71.45
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024458846	1	52	0.0	-70.94	428.33	-0.51	-71.45
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024458858	0	49	0.0	-75.68	414.04	-0.81	-76.49
COCCN(C)CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458871	0	52	0.0	-70.71	428.12	-2.36	-73.07
COCC[N@H+](C)CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458871	1	52	0.0	-71.32	427.98	-2.29	-73.61
COCC[N@@H+](C)CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458871	1	52	0.0	-71.32	427.98	-2.29	-73.61
CC(CCC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024458888	0	54	0.0	-71.27	435.58	-0.33	-71.60
CCN1CCC1C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458894	0	49	0.0	-68.68	401.48	-1.50	-70.18
CC[N@@H+]1CCC1C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458894	1	49	0.0	-69.67	401.89	-1.95	-71.62
CC[N@H+]1CCC1C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024458894	1	49	0.0	-69.67	401.89	-1.95	-71.62
C=CCC(C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024458927	0	52	0.0	-67.79	421.07	-1.28	-69.07
CCCC(C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024458948	0	54	0.0	-69.17	429.12	-1.01	-70.18
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024458951	0	51	0.0	-75.24	396.95	-1.54	-76.78
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024458967	0	52	0.0	-68.86	417.27	-1.08	-69.94
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@H+](C)CC1	REAL300024458984	0	53	0.0	-68.94	437.37	0.25	-68.69
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300024458984	1	53	0.0	-68.94	437.37	0.25	-68.69
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300024459011	0	53	0.0	-75.70	438.41	-0.27	-75.97
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024459033	0	52	0.0	-72.21	426.24	-0.31	-72.52
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCN1CC2	REAL300024459050	0	52	0.0	-80.09	411.35	-4.46	-84.55
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024459054	0	50	0.0	-74.21	405.12	-1.34	-75.55
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300024459059	0	53	0.0	-68.70	423.09	-0.68	-69.38
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2CCC1C2	REAL300024459059	1	53	0.0	-68.70	423.09	-0.68	-69.38
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC2C=CC1C2	REAL300024459089	0	51	0.0	-68.93	417.74	-0.10	-69.03
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024459089	1	51	0.0	-68.98	417.40	-0.13	-69.11
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300024459089	1	51	0.0	-68.98	417.40	-0.13	-69.11
CC(C[NH+](C)C)C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024459111	0	51	0.0	-67.54	410.87	-0.99	-68.53
CC(C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024459150	0	52	0.0	-70.06	420.21	-1.27	-71.33
CC1CC[N@@H+]1CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024459151	1	49	0.0	-68.92	403.42	-1.25	-70.17
CC1CC[N@H+]1CC(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024459151	1	49	0.0	-69.72	404.45	-1.76	-71.48
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(O)C[NH+](C)C	REAL300024459153	0	52	0.0	-76.15	430.82	-3.09	-79.24
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024459203	0	52	0.0	-72.93	427.16	-0.33	-73.26
CC(CC[NH+](C)C)C(=O)N(C)CC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024459206	0	54	0.0	-73.09	432.77	-0.45	-73.54
CN(CC(O)CNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459388	0	49	0.0	-69.98	397.66	-1.44	-71.42
CN(CC(O)CNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459388	1	49	0.0	-67.95	406.20	-1.53	-69.48
CN(CC(O)CNC(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459414	1	50	0.0	-69.73	408.61	-2.20	-71.93
CN(CC(O)CNC(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459414	1	50	0.0	-77.63	415.72	-2.05	-79.68
CN(CC(O)CNC(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459566	0	53	0.0	-68.12	424.54	-0.60	-68.72
CN(CC(O)CNC(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459581	0	52	0.0	-73.47	424.99	-0.89	-74.36
CN(CC(O)CNC(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459581	1	52	0.0	-74.03	424.44	-0.41	-74.44
CCC(C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024459586	0	51	0.0	-68.42	409.33	-1.50	-69.92
CN(CC(O)CNC(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459614	0	54	0.0	-73.88	443.27	0.15	-73.73
CC(C)C(C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024459623	0	54	0.0	-67.27	428.07	0.03	-67.24
CCC[N@H+](C)CCC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459624	0	54	0.0	-72.48	439.24	-0.05	-72.53
CCC[N@@H+](C)CCC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459624	1	54	0.0	-72.97	440.27	-0.53	-73.50
CCC[N@H+](C)CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459625	0	51	0.0	-70.32	417.90	-1.09	-71.41
CCC[N@@H+](C)CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459625	1	51	0.0	-69.84	416.86	-0.60	-70.44
CN(CC(O)CNC(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459632	0	53	0.0	-76.15	421.81	-1.37	-77.52
CN(CC(O)CNC(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459632	1	53	0.0	-72.70	421.42	-1.37	-74.07
CN(CC(O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459685	0	52	0.0	-73.96	432.50	-0.89	-74.85
CC[N@H+](C)CCC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459701	0	51	0.0	-72.31	419.98	-1.37	-73.68
CC[N@@H+](C)CCC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459701	1	51	0.0	-71.70	418.00	-0.79	-72.49
CN(CC(O)CNC(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459711	0	53	0.0	-72.56	421.25	-0.80	-73.36
CN(CC(O)CNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459743	0	52	0.0	-73.91	424.47	-0.94	-74.85
CC(C)[C@H](C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024459758	0	54	0.0	-67.62	427.99	0.09	-67.53
CN(CC(O)CNC(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459809	0	52	0.0	-70.87	408.49	-0.46	-71.33
CC1CCC[N@@H+]1CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459843	0	52	0.0	-66.47	416.94	-0.68	-67.15
CC1CCC[N@H+]1CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459843	1	52	0.0	-67.29	424.76	-0.83	-68.12
CC(C)[C@@H](C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024459868	0	54	0.0	-68.85	422.88	-0.96	-69.81
CC1CC[N@H+](CC(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024459877	0	52	0.0	-68.97	423.81	-0.32	-69.29
CC1CC[N@@H+](CC(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024459877	1	52	0.0	-69.00	423.80	-0.30	-69.30
CC[C@@H](C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024459882	0	51	0.0	-67.76	407.88	-0.99	-68.75
CC1=[NH+]C=CN1CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459950	1	47	0.0	-66.87	407.34	-0.38	-67.25
CC1=C[NH+]=CN1CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024459998	1	47	0.0	-70.95	408.60	-0.29	-71.24
C[C@@H]1[C@H](C(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024460002	0	52	0.0	-71.00	415.91	-1.29	-72.29
C[C@@H]1[C@H](C(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024460002	1	52	0.0	-70.86	420.79	-0.80	-71.66
CN(CC(O)CNC(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460075	0	52	0.0	-68.14	423.76	-0.03	-68.17
CN(CC(O)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460075	1	52	0.0	-67.66	424.12	-0.01	-67.67
CN(CC(O)CNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460092	0	52	0.0	-73.91	424.47	-0.94	-74.85
CN(CC(O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460110	0	49	0.0	-66.97	402.98	-0.92	-67.89
CN(CC(O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460110	1	49	0.0	-70.37	398.29	-1.97	-72.34
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460125	1	51	0.0	-66.64	424.94	-0.74	-67.38
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460125	1	51	0.0	-67.86	430.01	0.30	-67.56
CN(CC(O)CNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460180	0	52	0.0	-66.24	421.81	-1.00	-67.24
CN(CC(O)CNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460180	1	52	0.0	-65.87	420.20	-0.46	-66.33
CC1C(C(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024460222	0	52	0.0	-70.13	424.22	-0.50	-70.63
CC1C(C(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024460222	1	52	0.0	-70.22	420.54	-1.07	-71.29
C[C@@H](C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024460275	0	48	0.0	-69.13	395.54	-1.59	-70.72
CN(CC(O)CNC(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460295	0	52	0.0	-71.77	428.21	-0.86	-72.63
CN(CC(O)CNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460300	1	49	0.0	-70.85	405.98	-4.57	-75.42
CN(CC(O)CNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460300	1	49	0.0	-70.25	406.53	-5.07	-75.32
CN(CC(O)CNC(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460341	0	53	0.0	-72.09	437.81	-0.17	-72.26
CN(CC(O)CNC(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460341	1	53	0.0	-70.72	439.01	-0.26	-70.98
CC1C[NH+](CC(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024460377	1	49	0.0	-69.95	408.92	-0.91	-70.86
CN(CC(O)CNC(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460392	0	53	0.0	-66.99	431.13	0.06	-66.93
CN(CC(O)CNC(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460392	1	53	0.0	-66.53	429.14	-0.65	-67.18
CN(CC(O)CNC(=O)C=CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460410	0	53	0.0	-74.81	440.44	-0.32	-75.13
CC[N@H+](C)CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460442	0	48	0.0	-69.96	397.61	-1.93	-71.89
CN(CC(O)CNC(=O)CN1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460468	0	51	0.0	-68.13	417.68	-0.55	-68.68
CN(CC(O)CNC(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460468	1	51	0.0	-67.80	417.58	-0.08	-67.88
CN(CC(O)CNC(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460468	1	51	0.0	-67.80	417.58	-0.08	-67.88
CN(CC(O)CNC(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460507	0	52	0.0	-73.20	413.92	-3.53	-76.73
COCCN(C)CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460533	0	52	0.0	-69.99	428.78	-2.67	-72.66
COCC[N@H+](C)CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460533	1	52	0.0	-70.98	428.24	-2.16	-73.14
COCC[N@@H+](C)CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460533	1	52	0.0	-70.98	428.24	-2.16	-73.14
CC(CCC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024460536	0	54	0.0	-71.56	436.02	-0.75	-72.31
CC[N@H+](CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024460546	0	52	0.0	-67.37	426.26	-0.57	-67.94
CN(CC(O)CNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460566	0	50	0.0	-69.29	409.89	-0.85	-70.14
CN(CC(O)CNC(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460573	0	53	0.0	-66.89	422.17	-0.16	-67.05
CC(C[NH+](C)C)C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460585	0	51	0.0	-65.45	416.10	-0.62	-66.07
CCN1CCC1C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460609	0	49	0.0	-68.92	409.31	-1.03	-69.95
CC[N@@H+]1CCC1C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460609	1	49	0.0	-69.08	409.96	-1.49	-70.57
CC[N@H+]1CCC1C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460609	1	49	0.0	-69.08	409.96	-1.49	-70.57
CCCC(C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024460640	0	54	0.0	-69.17	429.82	-0.22	-69.39
CN(CC(O)CNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460644	0	51	0.0	-69.60	405.36	-0.84	-70.44
CC(CC[NH+](C)C)C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460657	0	54	0.0	-73.10	438.72	-0.60	-73.70
CN(CC(O)CNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460779	0	52	0.0	-65.87	420.20	-0.46	-66.33
CN(CC(O)CNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460829	0	50	0.0	-75.60	416.56	-0.95	-76.55
CN(CC(O)CNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460829	1	50	0.0	-75.60	416.56	-0.95	-76.55
CN(CC(O)CNC(=O)CNC1=CC=[NH+]C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460831	0	48	0.0	-70.95	415.60	-3.32	-74.27
CCC1CN(CC(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024460877	0	52	0.0	-70.70	430.31	-0.15	-70.85
CCC1C[NH+](CC(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024460877	1	52	0.0	-70.70	430.31	-0.15	-70.85
CN(CC(O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460884	0	49	0.0	-67.90	405.69	-1.56	-69.46
CN(CC(O)CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460949	0	52	0.0	-73.35	427.88	-0.80	-74.15
CN(CC(O)CNC(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460955	0	53	0.0	-72.75	429.13	0.05	-72.70
CN(CC(O)CNC(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460955	1	53	0.0	-72.75	429.13	0.05	-72.70
CN(CC(O)CNC(=O)COCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460977	0	52	0.0	-71.00	433.77	-0.93	-71.93
CN(CC(O)CNC(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461037	0	52	0.0	-69.21	419.74	-0.12	-69.33
CN(CC(O)CNC(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461038	0	52	0.0	-64.72	416.55	-0.24	-64.96
CN(CC(O)CNC(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461038	1	52	0.0	-65.93	416.56	-0.23	-66.16
CN(CC(O)CNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461040	0	47	0.0	-67.74	408.87	1.50	-66.24
CN(CC(O)CNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461056	1	49	0.0	-67.85	409.29	-1.18	-69.03
CC(CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024461069	0	54	0.0	-73.77	435.06	-0.02	-73.79
CN(CC(O)CNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461155	0	49	0.0	-73.02	410.12	-1.68	-74.70
CN(CC(O)CNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461164	0	45	0.0	-70.83	378.67	-2.50	-73.33
CN(CC(O)CNC(=O)CC[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461175	0	52	0.0	-71.41	428.09	-4.03	-75.44
CN(CC(O)CNC(=O)CC[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461175	1	52	0.0	-72.18	429.10	-4.52	-76.70
C[C@@H](C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024461176	0	48	0.0	-69.13	395.54	-1.59	-70.72
CC(C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024461198	1	52	0.0	-67.71	430.23	-0.92	-68.63
CC1CC[N@@H+]1CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461199	1	49	0.0	-67.86	404.04	-1.23	-69.09
CC1CC[N@H+]1CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461199	1	49	0.0	-69.40	410.01	-1.42	-70.82
CN(CC(O)CNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461203	0	49	0.0	-76.10	414.63	-1.30	-77.40
CC[NH+](CC)CC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461238	0	51	0.0	-68.32	414.76	-1.14	-69.46
CC[NH+](CC)CCC(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461269	0	54	0.0	-71.08	431.52	-0.36	-71.44
CC(C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024461316	1	49	0.0	-67.35	407.65	-1.07	-68.42
CN(CC(O)CNC(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461325	0	54	0.0	-66.34	426.20	-0.80	-67.14
CN(CC(O)CNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461351	0	52	0.0	-67.53	420.16	-0.46	-67.99
CN(CC(O)CNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461351	1	52	0.0	-68.18	410.90	-0.64	-68.82
CN(CC(O)CNC(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461366	0	52	0.0	-76.20	431.37	-3.50	-79.70
C=CCC(C(=O)NCC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024461384	0	52	0.0	-67.34	421.58	-0.52	-67.86
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300024461412	0	43	0.0	-74.63	386.26	-5.57	-80.20
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@@H+]1C	REAL300024461430	0	53	0.0	-66.82	426.06	-0.62	-67.44
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@H+]1C	REAL300024461430	1	53	0.0	-76.21	431.20	-0.55	-76.76
CCC1CN(CC(=O)N(C)CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024461497	0	52	0.0	-71.65	430.54	-0.21	-71.86
CCC1C[NH+](CC(=O)N(C)CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024461497	1	52	0.0	-71.65	430.54	-0.21	-71.86
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024461502	0	49	0.0	-69.95	403.26	-1.74	-71.69
CC1C(C(=O)N(C)CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024461517	0	52	0.0	-73.33	414.25	-0.80	-74.13
CC1C(C(=O)N(C)CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024461517	1	52	0.0	-73.33	414.25	-0.80	-74.13
CN(CC(O)CN(C)C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461729	0	52	0.0	-68.97	411.90	0.90	-68.07
CC1=NC=CN1CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461858	0	50	0.0	-65.71	422.93	1.78	-63.93
CC1=[NH+]C=CN1CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461858	1	50	0.0	-65.71	422.93	1.78	-63.93
CC1=CN=CN1CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461924	0	50	0.0	-67.48	422.20	2.48	-65.00
CC1=C[NH+]=CN1CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461924	1	50	0.0	-67.48	422.20	2.48	-65.00
CCC(C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024461933	0	54	0.0	-64.82	421.22	0.99	-63.83
CCC[N@H+](C)CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461946	0	54	0.0	-68.44	432.73	1.58	-66.86
CCC[N@@H+](C)CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461946	1	54	0.0	-68.44	432.73	1.58	-66.86
CN(CC(O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461957	0	52	0.0	-66.21	413.07	0.64	-65.57
CC[NH+](CC)CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461967	0	54	0.0	-66.87	426.57	1.17	-65.70
CC[N@H+](C)CCC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462063	0	54	0.0	-70.88	435.08	1.35	-69.53
CC[N@@H+](C)CCC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462063	1	54	0.0	-70.88	435.08	1.35	-69.53
CC[C@@H](C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024462069	0	54	0.0	-70.24	423.14	0.48	-69.76
CN(CC(O)CN(C)C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462099	0	50	0.0	-66.56	426.21	3.61	-62.95
CC(C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)N1CCC1	REAL300024462107	0	52	0.0	-75.91	415.03	0.80	-75.11
CC(C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024462107	1	52	0.0	-75.91	415.03	0.80	-75.11
CN(CC(O)CN(C)C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462115	0	52	0.0	-65.79	424.24	1.48	-64.31
CN(CC(O)CN(C)C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462124	0	52	0.0	-75.55	425.64	0.53	-75.02
C[C@@H](C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024462164	0	51	0.0	-66.10	411.50	0.48	-65.62
CN(CC(O)CN(C)C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462190	1	49	0.0	-68.77	403.60	0.59	-68.18
CN(CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024462197	0	53	0.0	-74.13	433.01	1.66	-72.47
CN(CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024462197	1	53	0.0	-73.84	430.57	1.72	-72.12
C[C@H](C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024462211	0	51	0.0	-67.51	411.96	0.08	-67.43
CC1C[NH+](CC(=O)N(C)CC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024462223	1	52	0.0	-68.65	426.25	1.18	-67.47
CN(CC(O)CN(C)C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462234	1	52	0.0	-68.42	421.58	-2.43	-70.85
CN(CC(O)CN(C)C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462234	1	52	0.0	-71.99	423.27	-2.98	-74.97
CC[N@H+](C)CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462246	0	51	0.0	-68.15	411.23	0.84	-67.31
CC[N@@H+](C)CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462246	1	51	0.0	-67.86	412.71	0.73	-67.13
CN(CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024462270	0	52	0.0	-73.15	428.64	1.41	-71.74
CC[N@@H+]1CCC1C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462283	1	52	0.0	-68.08	425.01	0.96	-67.12
CC[N@H+]1CCC1C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462283	1	52	0.0	-69.72	423.46	1.56	-68.16
CN(CC(O)CN(C)C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462303	0	53	0.0	-67.78	430.33	1.93	-65.85
CN(CC(O)CN(C)C(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462308	0	54	0.0	-73.33	413.47	1.46	-71.87
CN(CC(O)CN(C)C(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462343	0	52	0.0	-76.01	414.27	1.63	-74.38
CN(CC(O)CN(C)C(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462352	0	53	0.0	-79.98	421.31	0.83	-79.15
CN(CC(O)CN(C)C(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462352	1	53	0.0	-77.43	422.19	0.84	-76.59
CC(C[NH+](C)C)C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462383	0	54	0.0	-70.96	427.00	1.19	-69.77
CC1CC[N@@H+]1CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462399	1	52	0.0	-66.84	420.77	0.91	-65.93
CC1CC[N@H+]1CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462399	1	52	0.0	-66.31	419.28	0.97	-65.34
CN(CC(O)CN(C)C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462564	0	52	0.0	-65.77	408.96	1.02	-64.75
CN(CC(O)CN(C)C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462564	1	52	0.0	-68.97	411.90	0.90	-68.07
CCC(C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024462708	0	54	0.0	-64.82	421.22	0.99	-63.83
CCC[N@H+](C)CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462717	0	54	0.0	-69.05	432.25	2.07	-66.98
CCC[N@@H+](C)CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462717	1	54	0.0	-68.44	432.73	1.58	-66.86
CC[N@H+](C)CCC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462749	0	54	0.0	-70.54	433.60	1.44	-69.10
CC[N@@H+](C)CCC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462749	1	54	0.0	-70.88	435.08	1.35	-69.53
CC[C@@H](C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024462826	0	54	0.0	-70.24	423.14	0.48	-69.76
CC1=[NH+]C=CN1CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462857	1	50	0.0	-65.71	422.93	1.78	-63.93
CC1=C[NH+]=CN1CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462873	1	50	0.0	-67.48	422.20	2.48	-65.00
CN(CC(O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462908	0	52	0.0	-65.76	414.52	0.91	-64.85
CN(CC(O)CN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462908	1	52	0.0	-66.21	413.07	0.64	-65.57
C[C@@H](C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024463002	0	51	0.0	-66.10	411.50	0.48	-65.62
CN(CC(O)CN(C)C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463020	1	52	0.0	-68.42	421.58	-2.43	-70.85
CN(CC(O)CN(C)C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463020	1	52	0.0	-71.99	423.27	-2.98	-74.97
CC1C[NH+](CC(=O)N(C)CC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024463054	1	52	0.0	-68.65	426.25	1.18	-67.47
CC[N@H+](C)CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463082	0	51	0.0	-68.15	411.23	0.84	-67.31
CC[N@@H+](C)CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463082	1	51	0.0	-67.86	412.71	0.73	-67.13
CN(CC(O)CN(C)C(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463133	0	53	0.0	-79.98	421.31	0.83	-79.15
CN(CC(O)CN(C)C(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463133	1	53	0.0	-77.43	422.19	0.84	-76.59
CC(C[NH+](C)C)C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463141	0	54	0.0	-70.96	427.00	1.19	-69.77
CN(CC(O)CN(C)C(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463146	0	52	0.0	-76.01	414.27	1.63	-74.38
C[C@H](C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024463155	0	51	0.0	-67.51	411.96	0.08	-67.43
CC[N@@H+]1CCC1C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463158	1	52	0.0	-68.08	425.01	0.96	-67.12
CC[N@H+]1CCC1C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463158	1	52	0.0	-69.72	423.46	1.56	-68.16
CN(CC(O)CN(C)C(=O)C1=C[NH+]=CC=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463168	0	48	0.0	-70.36	403.13	-1.91	-72.27
CN(CC(O)CN(C)C(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463173	0	54	0.0	-73.33	413.47	1.46	-71.87
CN(CC(O)CN(C)C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463226	0	53	0.0	-67.78	430.33	1.93	-65.85
CN(CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024463248	0	53	0.0	-74.13	433.01	1.66	-72.47
CN(CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024463248	1	53	0.0	-73.84	430.57	1.72	-72.12
CN(CC(O)CN(C)C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024463254	0	42	0.0	-28.36	371.16	-4.72	-33.08
CN(CC(O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463269	0	52	0.0	-65.48	411.57	0.89	-64.59
CN(CC(O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463269	1	52	0.0	-65.45	419.42	1.27	-64.18
CN(CC(O)CN(C)C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463329	0	50	0.0	-66.56	426.21	3.61	-62.95
CN(CC(O)CN(C)C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463337	0	52	0.0	-65.66	422.77	1.58	-64.08
CN(CC(O)CN(C)C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463337	1	52	0.0	-65.79	424.24	1.48	-64.31
CN(CC(O)CN(C)C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463380	0	52	0.0	-75.55	425.64	0.53	-75.02
CN(CC(O)CN(C)C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463385	0	48	0.0	-69.74	393.32	0.65	-69.09
C[C@@H](C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024463391	0	51	0.0	-66.10	411.50	0.48	-65.62
CC1CC[N@@H+]1CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463404	1	52	0.0	-66.84	420.77	0.91	-65.93
CC1CC[N@H+]1CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463404	1	52	0.0	-66.31	419.28	0.97	-65.34
CN(CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024463405	0	52	0.0	-73.15	428.64	1.41	-71.74
CC[NH+](CC)CC(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463418	0	54	0.0	-66.87	426.57	1.17	-65.70
CN(CC(O)CN(C)C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463423	1	49	0.0	-68.77	403.60	0.59	-68.18
CC(C(=O)N(C)CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024463458	1	52	0.0	-75.91	415.03	0.80	-75.11
CN(CC(O)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300024463509	0	46	0.0	-73.98	401.26	-2.30	-76.28
CN(CC(O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463556	0	52	0.0	-65.48	411.57	0.89	-64.59
CN(CC(O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463556	1	52	0.0	-65.45	419.42	1.27	-64.18
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024463748	0	54	0.0	-68.22	418.50	3.78	-64.44
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024463748	1	54	0.0	-72.11	420.67	3.98	-68.13
CC1=[NH+]C=CN1CC(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024463897	1	52	0.0	-56.17	429.25	5.03	-51.14
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024463913	0	57	0.0	-76.95	431.92	4.52	-72.43
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024463913	1	57	0.0	-73.56	442.64	5.05	-68.51
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300024463933	0	57	0.0	-68.96	446.84	5.22	-63.74
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300024463933	1	57	0.0	-54.83	446.25	5.38	-49.45
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024463953	0	57	0.0	-77.78	440.92	4.88	-72.90
CC1=C[NH+]=CN1CC(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024463968	1	52	0.0	-71.81	428.25	5.50	-66.31
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300024463974	0	57	0.0	-73.94	446.13	4.87	-69.07
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300024463974	1	57	0.0	-74.36	446.81	4.87	-69.49
CCC(C(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024463977	0	56	0.0	-56.19	424.64	4.19	-52.00
CCC[N@H+](C)CC(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024463990	0	56	0.0	-56.16	439.26	4.82	-51.34
CCC[N@@H+](C)CC(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024463990	1	56	0.0	-72.30	438.77	4.62	-67.68
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024464001	0	54	0.0	-69.83	420.21	3.99	-65.84
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024464001	1	54	0.0	-69.14	418.78	3.74	-65.40
CC[NH+](CC)CC(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464009	0	56	0.0	-66.44	432.56	4.44	-62.00
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300024464052	0	57	0.0	-70.40	447.10	4.72	-65.68
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024464066	0	57	0.0	-77.78	440.92	4.88	-72.90
CC[N@H+](C)CCC(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464087	0	56	0.0	-76.03	440.01	4.49	-71.54
CC[N@@H+](C)CCC(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464087	1	56	0.0	-75.99	439.90	4.50	-71.49
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCCC1C	REAL300024464093	0	57	0.0	-67.91	444.73	4.90	-63.01
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCCC1C	REAL300024464093	1	57	0.0	-53.28	445.01	5.17	-48.11
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)C1	REAL300024464094	0	57	0.0	-70.15	445.24	4.92	-65.23
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)C1	REAL300024464094	1	57	0.0	-70.11	445.93	4.95	-65.16
CC[C@@H](C(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024464096	0	56	0.0	-70.97	428.95	4.21	-66.76
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024464122	0	50	0.0	-71.64	400.72	3.25	-68.39
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024464123	0	52	0.0	-70.26	430.77	6.72	-63.54
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300024464126	0	57	0.0	-72.54	443.42	4.75	-67.79
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300024464126	1	57	0.0	-75.41	440.55	4.80	-70.61
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1CCC1	REAL300024464132	0	54	0.0	-69.84	420.96	3.91	-65.93
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024464140	0	54	0.0	-69.98	429.52	4.63	-65.35
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024464140	1	54	0.0	-54.35	430.89	4.84	-49.51
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024464148	0	54	0.0	-72.35	431.25	4.08	-68.27
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL300024464159	0	53	0.0	-70.90	414.93	3.54	-67.36
CC(C)N(CCN(C)C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024464166	0	44	0.0	-20.77	377.31	-1.16	-21.93
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL300024464192	0	53	0.0	-70.90	414.93	3.54	-67.36
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024464195	0	57	0.0	-66.60	439.86	4.81	-61.79
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300024464195	1	57	0.0	-71.64	432.33	4.66	-66.98
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024464217	1	51	0.0	-71.25	409.91	3.64	-67.61
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024464222	0	55	0.0	-78.57	437.83	4.80	-73.77
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024464222	1	55	0.0	-77.49	436.17	4.80	-72.69
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H](C)[NH+](C)C	REAL300024464236	0	53	0.0	-70.98	413.54	3.53	-67.45
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)C1	REAL300024464249	1	54	0.0	-56.12	432.79	4.54	-51.58
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024464261	1	54	0.0	-56.60	428.46	0.85	-55.75
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024464261	1	54	0.0	-55.65	428.27	0.83	-54.82
CC[N@H+](C)CC(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464271	0	53	0.0	-72.19	417.26	3.87	-68.32
CC[N@@H+](C)CC(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464271	1	53	0.0	-72.21	417.27	3.87	-68.34
CC[N@H+](CC(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C)C1CC1	REAL300024464280	0	57	0.0	-53.36	446.43	5.21	-48.15
CC[N@@H+](CC(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C)C1CC1	REAL300024464280	1	57	0.0	-67.83	442.47	5.10	-62.73
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024464291	1	57	0.0	-73.85	451.91	5.06	-68.79
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024464296	0	54	0.0	-60.30	437.34	4.73	-55.57
CC[N@@H+]1CCC1C(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464310	0	54	0.0	-70.86	426.05	4.19	-66.67
CC[N@H+]1CCC1C(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464310	1	54	0.0	-53.99	424.17	4.04	-49.95
C=CCC(C(=O)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024464326	0	57	0.0	-73.65	445.63	4.99	-68.66
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024464333	0	55	0.0	-55.29	436.82	5.31	-49.98
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024464345	0	57	0.0	-69.71	440.81	4.99	-64.72
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024464345	1	57	0.0	-55.35	435.50	4.75	-50.60
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024464373	0	57	0.0	-75.38	447.87	4.98	-70.40
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)C[NH+](C)C	REAL300024464406	0	56	0.0	-57.42	437.84	4.54	-52.88
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1CC(C)C1	REAL300024464424	0	57	0.0	-71.45	448.21	4.94	-66.51
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC1C	REAL300024464425	0	54	0.0	-71.80	431.14	4.30	-67.50
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC1C	REAL300024464425	1	54	0.0	-68.69	425.91	4.06	-64.63
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024464449	0	57	0.0	-76.08	448.81	4.95	-71.13
CC(C)N(CCN(C)C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464607	0	54	0.0	-66.62	419.56	3.80	-62.82
CC(C)N(CCN(C)C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464607	1	54	0.0	-66.25	422.58	4.12	-62.13
CC(C)N(CCN(C)C(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464774	0	57	0.0	-78.41	446.53	4.88	-73.53
CC(C)N(CCN(C)C(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464774	1	57	0.0	-78.57	446.08	4.86	-73.71
CCC(C(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024464777	0	56	0.0	-68.48	432.62	4.59	-63.89
CCC[N@H+](C)CC(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464789	0	56	0.0	-69.19	439.04	4.65	-64.54
CCC[N@@H+](C)CC(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464789	1	56	0.0	-72.66	439.04	4.64	-68.02
CC(C)N(CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464825	0	57	0.0	-66.14	449.41	5.00	-61.14
CC[N@H+](C)CCC(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464830	0	56	0.0	-76.20	439.91	4.51	-71.69
CC[N@@H+](C)CCC(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464830	1	56	0.0	-71.80	441.65	4.72	-67.08
CC(C)N(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464852	0	57	0.0	-73.31	440.77	4.71	-68.60
CC(C)N(CCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464884	0	57	0.0	-79.76	431.65	4.46	-75.30
CC(C)N(CCN(C)C(=O)C[N@@H+]1CCCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464906	0	57	0.0	-69.22	438.24	4.60	-64.62
CC(C)N(CCN(C)C(=O)C[N@H+]1CCCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464906	1	57	0.0	-64.41	445.80	5.06	-59.35
CC(C)N(CCN(C)C(=O)C[N@@H+]1CCC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464923	0	57	0.0	-72.11	445.89	4.97	-67.14
CC(C)N(CCN(C)C(=O)C[N@H+]1CCC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464923	1	57	0.0	-67.00	447.08	5.23	-61.77
CC[C@@H](C(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024464925	0	56	0.0	-65.88	427.54	4.13	-61.75
CC1=[NH+]C=CN1CC(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464960	1	52	0.0	-64.45	430.98	5.07	-59.38
CC1=C[NH+]=CN1CC(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024464978	1	52	0.0	-72.48	428.52	5.54	-66.94
CC(C)N(CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464979	0	57	0.0	-70.70	433.89	4.48	-66.22
CC(C)N(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024464979	1	57	0.0	-69.86	441.32	4.72	-65.14
CC(C)N(CCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465006	0	57	0.0	-65.97	447.93	5.45	-60.52
CC(C)N(CCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465006	1	57	0.0	-66.82	447.77	5.43	-61.39
CC(C)N(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465011	0	57	0.0	-73.31	440.77	4.71	-68.60
CC(C)N(CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465023	0	54	0.0	-65.47	423.30	4.03	-61.44
CC(C)N(CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465023	1	54	0.0	-67.64	419.04	3.78	-63.86
CC(C)N(CCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465063	0	57	0.0	-67.10	427.95	4.33	-62.77
CC(C)N(CCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465063	1	57	0.0	-70.92	432.96	4.62	-66.30
CC(C)N(CCN(C)C(=O)C1CC[N@H+](C)C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465091	0	57	0.0	-68.64	437.17	4.28	-64.36
CC(C)N(CCN(C)C(=O)C1CC[N@@H+](C)C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465091	1	57	0.0	-76.84	436.77	4.52	-72.32
CC(C)N(CCN(C)C(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465128	0	53	0.0	-71.58	416.35	3.63	-67.95
CC(C)N(CCN(C)C(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465145	0	57	0.0	-75.52	448.14	4.99	-70.53
CC(C)N(CCN(C)C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465150	1	54	0.0	-69.91	429.64	0.89	-69.02
CC(C)N(CCN(C)C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465150	1	54	0.0	-69.37	427.67	0.65	-68.72
CC(C)N(CCN(C)C(=O)C[NH+]1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465188	1	54	0.0	-69.76	432.83	4.55	-65.21
CC[N@H+](C)CC(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024465217	0	53	0.0	-72.52	417.54	3.90	-68.62
CC[N@@H+](C)CC(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024465217	1	53	0.0	-72.47	417.54	3.91	-68.56
CC[N@H+](CC(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C)C1CC1	REAL300024465270	0	57	0.0	-68.83	445.06	5.04	-63.79
CC[N@@H+](CC(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C)C1CC1	REAL300024465270	1	57	0.0	-70.15	446.31	5.25	-64.90
CC(C)N(CCN(C)C(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465282	0	55	0.0	-68.20	425.56	4.48	-63.72
CC(C)N(CCN(C)C(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465282	1	55	0.0	-77.25	425.95	4.22	-73.03
CC(C)N(CCN(C)C(=O)C(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465291	0	56	0.0	-71.83	435.04	4.47	-67.36
CC(C)N(CCN(C)C(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465297	0	54	0.0	-69.04	421.21	3.93	-65.11
CC(C)N(CCN(C)C(=O)[C@@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465306	0	53	0.0	-71.64	415.99	3.61	-68.03
CC[N@@H+]1CCC1C(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024465309	0	54	0.0	-73.43	429.95	4.11	-69.32
CC[N@H+]1CCC1C(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024465309	1	54	0.0	-68.00	430.48	4.13	-63.87
CC(C)N(CCN(C)C(=O)C1=C[NH+]=CC=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465319	0	50	0.0	-76.93	409.25	1.17	-75.76
CC(C)N(CCN(C)C(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465325	0	56	0.0	-66.18	420.61	4.51	-61.67
CC(C)N(CCN(C)C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465386	0	55	0.0	-73.16	435.16	5.10	-68.06
CC(C)N(CCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465392	0	57	0.0	-67.10	427.95	4.33	-62.77
CC(C)N(CCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465392	1	57	0.0	-70.92	432.96	4.62	-66.30
CC(C)N(CCN(C)C(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465413	0	55	0.0	-73.27	438.06	4.79	-68.48
CC(C)N(CCN(C)C(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465413	1	55	0.0	-78.73	437.37	4.83	-73.90
CC(C)N(CCN(C)C(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024465420	0	44	0.0	-20.80	377.12	-1.17	-21.97
CCC1C[NH+](CC(=O)N(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C)C1	REAL300024465434	0	57	0.0	-74.00	452.47	5.08	-68.92
CC(C)N(CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465439	0	54	0.0	-66.76	419.15	3.77	-62.99
CC(C)N(CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465439	1	54	0.0	-65.71	424.50	4.07	-61.64
CC(C)N(CCN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465472	0	57	0.0	-71.81	448.34	5.12	-66.69
CC(C)N(CCN(C)C(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465510	0	57	0.0	-72.91	441.64	5.11	-67.80
CC(C)N(CCN(C)C(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465511	0	57	0.0	-65.75	433.75	4.79	-60.96
CC(C)N(CCN(C)C(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465511	1	57	0.0	-60.05	433.27	4.95	-55.10
CC(C)N(CCN(C)C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465512	0	52	0.0	-70.77	431.04	6.75	-64.02
CC(C)N(CCN(C)C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465522	0	54	0.0	-69.58	429.08	4.64	-64.94
CC(C)N(CCN(C)C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465522	1	54	0.0	-69.64	429.08	4.65	-64.99
CC(C)N(CCN(C)C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465571	0	54	0.0	-70.57	431.61	4.09	-66.48
CC(C)N(CCN(C)C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465577	0	50	0.0	-68.44	401.81	3.48	-64.96
CC(C)N(CCN(C)C(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465585	0	53	0.0	-71.58	416.35	3.63	-67.95
CC(C)N(CCN(C)C(=O)C(C)[NH+]1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465599	0	57	0.0	-71.08	441.44	4.54	-66.54
CC(C)N(CCN(C)C(=O)C[N@@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465600	0	54	0.0	-70.90	425.58	4.03	-66.87
CC(C)N(CCN(C)C(=O)C[N@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465600	1	54	0.0	-72.04	431.09	4.30	-67.74
CC(C)N(CCN(C)C(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465602	0	54	0.0	-75.21	436.70	4.70	-70.51
CC(C)N(CCN(C)C(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465606	1	57	0.0	-73.72	450.15	4.83	-68.89
CC[NH+](CC)CC(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024465618	0	56	0.0	-65.93	432.85	4.53	-61.40
CC(C)N(CCN(C)C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465623	1	51	0.0	-69.66	411.65	3.88	-65.78
CC(C)N(CCN(C)C(=O)C(C)[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465662	0	54	0.0	-71.04	425.48	4.12	-66.92
CC(C)N(CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465683	0	57	0.0	-65.02	439.63	4.77	-60.25
CC(C)N(CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465683	1	57	0.0	-73.93	432.63	4.46	-69.47
C=CCC(C(=O)N(C)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024465702	0	57	0.0	-65.00	442.14	4.84	-60.16
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300024465723	0	48	0.0	-72.53	408.88	0.21	-72.32
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024465769	0	54	0.0	-70.85	418.57	3.78	-67.07
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024465769	1	54	0.0	-66.91	421.25	3.96	-62.95
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300024465775	0	57	0.0	-54.83	442.52	5.28	-49.55
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+](C)C1C	REAL300024465778	0	57	0.0	-56.43	436.34	4.49	-51.94
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+](C)C1C	REAL300024465778	1	57	0.0	-71.71	442.49	4.48	-67.23
C[N@@H+]1CCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024465964	0	54	0.0	-65.23	422.18	1.52	-63.71
C[N@H+]1CCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024465964	1	54	0.0	-65.44	422.82	1.64	-63.80
CC1=[NH+]C=CN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466115	1	52	0.0	-65.53	425.30	2.17	-63.36
C[C@@H]1[C@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC[N@@H+]1C	REAL300024466133	0	57	0.0	-69.61	423.84	2.42	-67.19
C[C@@H]1[C@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC[N@H+]1C	REAL300024466133	1	57	0.0	-67.93	439.35	1.81	-66.12
C[NH+](C)C1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CCC1	REAL300024466150	0	57	0.0	-64.53	430.21	2.12	-62.41
C[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C1CCC1	REAL300024466160	0	57	0.0	-67.31	442.70	2.56	-64.75
C[N@@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C1CCC1	REAL300024466160	1	57	0.0	-67.08	442.60	2.55	-64.53
C[NH+]1CCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC1	REAL300024466181	0	57	0.0	-71.44	441.07	2.24	-69.20
C[N@@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466187	0	57	0.0	-66.54	429.13	2.00	-64.54
C[N@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466187	1	57	0.0	-65.75	426.74	2.04	-63.71
CC1=C[NH+]=CN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466204	1	52	0.0	-67.35	425.20	2.89	-64.46
C[N@@H+]1CCC(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024466213	0	57	0.0	-69.11	442.92	2.18	-66.93
C[N@H+]1CCC(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024466213	1	57	0.0	-70.18	442.96	2.17	-68.01
CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+](C)C	REAL300024466216	0	56	0.0	-65.73	427.14	1.58	-64.15
CCC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466232	0	56	0.0	-69.17	435.71	2.00	-67.17
CCC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466232	1	56	0.0	-69.03	435.71	2.00	-67.03
C[N@@H+]1CCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466246	0	54	0.0	-67.42	412.31	1.91	-65.51
C[N@H+]1CCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466246	1	54	0.0	-65.68	422.56	1.63	-64.05
CC[NH+](CC)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466258	0	56	0.0	-67.36	431.50	1.90	-65.46
C[NH+](C)CC1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC1	REAL300024466310	0	57	0.0	-65.43	452.27	2.42	-63.01
C[NH+]1CCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC1	REAL300024466331	0	57	0.0	-71.44	441.07	2.24	-69.20
CC[N@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466368	0	56	0.0	-69.41	436.58	1.80	-67.61
CC[N@@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466368	1	56	0.0	-69.41	436.58	1.78	-67.63
CC1CCC[N@@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466376	0	57	0.0	-65.84	435.14	1.95	-63.89
CC1CCC[N@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466376	1	57	0.0	-65.74	435.23	1.96	-63.78
CC1CC[N@H+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024466377	0	57	0.0	-68.41	442.61	2.31	-66.10
CC1CC[N@@H+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024466377	1	57	0.0	-68.02	441.83	2.26	-65.76
CC[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+](C)C	REAL300024466379	0	56	0.0	-66.49	425.89	1.56	-64.93
C[NH+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466410	0	50	0.0	-69.27	396.48	0.58	-68.69
CN1C=C[N+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)=C1	REAL300024466411	0	52	0.0	-65.98	427.71	4.09	-61.89
C[N@@H+]1CCCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024466414	0	57	0.0	-68.45	441.05	2.21	-66.24
C[N@H+]1CCCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024466414	1	57	0.0	-68.47	441.06	2.19	-66.28
CC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+]1CCC1	REAL300024466421	1	54	0.0	-66.11	426.49	1.50	-64.61
C[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C1CC1	REAL300024466429	0	54	0.0	-66.94	425.89	2.00	-64.94
C[N@@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C1CC1	REAL300024466429	1	54	0.0	-66.66	425.89	2.00	-64.66
C[NH+]1CC(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024466439	0	54	0.0	-69.30	427.92	1.40	-67.90
C[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+](C)C	REAL300024466450	0	53	0.0	-66.66	414.37	0.99	-65.67
CC(C)(C)C(CNC(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300024466457	0	44	0.0	-22.58	373.45	-3.81	-26.39
C[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+](C)C	REAL300024466488	0	53	0.0	-66.66	414.37	0.99	-65.67
C[N@@H+]1CCCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466491	0	57	0.0	-66.56	429.13	2.00	-64.56
C[N@H+]1CCCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466491	1	57	0.0	-66.30	435.17	2.07	-64.23
C[N@@H+]1CCC(=CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024466523	0	55	0.0	-70.55	435.32	2.13	-68.42
C[N@H+]1CCC(=CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024466523	1	55	0.0	-70.43	434.35	2.16	-68.27
C[C@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+](C)C	REAL300024466540	0	53	0.0	-66.64	414.65	0.98	-65.66
CC1C[NH+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024466554	1	54	0.0	-68.80	427.75	1.68	-67.12
C[N@H+](CCO)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466567	1	54	0.0	-68.96	424.57	-1.99	-70.95
C[N@@H+](CCO)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466567	1	54	0.0	-69.05	424.34	-1.99	-71.04
CC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466579	0	53	0.0	-68.73	414.21	1.25	-67.48
CC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466579	1	53	0.0	-68.77	414.21	1.26	-67.51
CC[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C1CC1	REAL300024466589	0	57	0.0	-66.31	442.84	2.56	-63.75
CC[N@@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C1CC1	REAL300024466589	1	57	0.0	-67.31	437.88	2.48	-64.83
C[NH+](C)CC=CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466608	0	54	0.0	-70.45	432.43	1.80	-68.65
CC[N@@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466625	1	54	0.0	-67.52	419.68	1.41	-66.11
CC[N@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466625	1	54	0.0	-67.93	416.27	1.27	-66.66
C=CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+](C)C	REAL300024466644	0	57	0.0	-65.18	440.15	2.06	-63.12
CC(C)(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC2CC2C1	REAL300024466651	0	55	0.0	-68.86	431.83	2.45	-66.41
C[NH+](C)C(C)(C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466656	0	56	0.0	-70.10	417.27	1.51	-68.59
C[N@@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466666	0	57	0.0	-66.54	429.13	2.00	-64.54
C[N@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466666	1	57	0.0	-65.75	426.74	2.04	-63.71
C[NH+](C)C1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC1	REAL300024466698	0	54	0.0	-68.53	415.52	2.35	-66.18
CC(C)(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300024466699	0	57	0.0	-68.99	444.81	2.31	-66.68
C[N@@H+]1CC2CC1(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C2	REAL300024466709	1	55	0.0	-67.69	428.74	1.74	-65.95
C[N@H+]1CC2CC1(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C2	REAL300024466709	1	55	0.0	-69.78	425.08	1.62	-68.16
CC(C[NH+](C)C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466743	0	56	0.0	-65.56	434.67	1.95	-63.61
CC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+]1CC(C)C1	REAL300024466762	1	57	0.0	-65.99	445.68	2.28	-63.71
CC1CC[N@@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466763	1	54	0.0	-66.77	422.27	1.40	-65.37
CC1CC[N@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466763	1	54	0.0	-67.22	427.81	1.66	-65.56
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024466791	0	57	0.0	-69.61	446.22	2.31	-67.30
C[N@@H+]1CCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466951	0	54	0.0	-64.37	422.80	1.64	-62.73
C[N@H+]1CCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024466951	1	54	0.0	-66.04	416.51	1.13	-64.91
C[N@@H+]1CCC(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024467118	0	57	0.0	-68.91	443.01	2.17	-66.74
C[N@H+]1CCC(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024467118	1	57	0.0	-68.87	442.33	2.17	-66.70
CCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+](C)C	REAL300024467121	0	56	0.0	-64.97	426.90	1.58	-63.39
CCC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467133	0	56	0.0	-67.32	435.71	1.99	-65.33
CCC[N@@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467133	1	56	0.0	-67.30	435.71	1.99	-65.31
C[NH+](C)CC1(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC1	REAL300024467169	0	57	0.0	-65.00	451.56	2.40	-62.60
CC[N@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467174	0	56	0.0	-68.01	436.57	1.80	-66.21
CC[N@@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467174	1	56	0.0	-68.00	436.58	1.79	-66.21
C[NH+]1CCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC1	REAL300024467196	0	57	0.0	-68.80	441.06	2.23	-66.57
C[NH+](C)C1(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CCC1	REAL300024467228	0	57	0.0	-66.22	427.32	2.11	-64.11
CC1CCC[N@@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467250	0	57	0.0	-64.12	435.19	1.94	-62.18
CC1CCC[N@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467250	1	57	0.0	-64.42	441.64	2.35	-62.07
CC1CC[N@H+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024467267	0	57	0.0	-66.28	442.04	2.31	-63.97
CC1CC[N@@H+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024467267	1	57	0.0	-66.35	442.04	2.32	-64.03
CC[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+](C)C	REAL300024467269	0	56	0.0	-64.88	426.72	1.60	-63.28
CC1=[NH+]C=CN1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467304	1	52	0.0	-64.37	425.92	2.19	-62.18
CC1=C[NH+]=CN1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467322	1	52	0.0	-66.94	425.20	2.88	-64.06
C[C@@H]1[C@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC[N@@H+]1C	REAL300024467323	0	57	0.0	-67.72	434.04	1.78	-65.94
C[C@@H]1[C@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC[N@H+]1C	REAL300024467323	1	57	0.0	-67.34	439.31	1.82	-65.52
C[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C1CCC1	REAL300024467350	0	57	0.0	-65.30	442.70	2.56	-62.74
C[N@@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C1CCC1	REAL300024467350	1	57	0.0	-65.64	442.61	2.55	-63.09
C[NH+]1CCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC1	REAL300024467355	0	57	0.0	-68.80	441.06	2.23	-66.57
C[N@@H+]1CCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467367	0	54	0.0	-65.90	416.57	1.14	-64.76
C[N@H+]1CCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467367	1	54	0.0	-63.71	422.19	1.52	-62.19
C[N@@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467407	0	57	0.0	-64.08	438.44	2.17	-61.91
C[N@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467407	1	57	0.0	-64.17	438.45	2.18	-61.99
CC1C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC[N@@H+]1C	REAL300024467435	0	57	0.0	-65.80	442.47	2.13	-63.67
CC1C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC[N@H+]1C	REAL300024467435	1	57	0.0	-65.65	437.68	1.78	-63.87
C[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+](C)C	REAL300024467472	0	53	0.0	-65.55	414.38	0.99	-64.56
CC(C)(C)C(CNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024467489	0	57	0.0	-67.50	444.81	2.31	-65.19
C[N@H+](CCO)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467494	1	54	0.0	-67.69	424.57	-1.99	-69.68
C[N@@H+](CCO)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467494	1	54	0.0	-67.09	424.35	-1.99	-69.08
CC1C[NH+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024467532	1	54	0.0	-67.01	427.75	1.67	-65.34
CC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467561	0	53	0.0	-66.88	414.21	1.24	-65.64
CC[N@@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467561	1	53	0.0	-66.87	414.21	1.25	-65.62
CC[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C1CC1	REAL300024467614	0	57	0.0	-64.45	442.84	2.56	-61.89
CC[N@@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C1CC1	REAL300024467614	1	57	0.0	-64.36	442.85	2.59	-61.77
C[N@@H+]1CC2CC1(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C2	REAL300024467626	0	55	0.0	-65.50	427.11	1.81	-63.69
C[N@H+]1CC2CC1(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C2	REAL300024467626	1	55	0.0	-65.39	426.67	1.93	-63.46
CC(C[NH+](C)C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467635	0	56	0.0	-67.76	434.89	1.84	-65.92
C[NH+](C)C1(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC1	REAL300024467641	0	54	0.0	-66.55	420.25	1.59	-64.96
C[C@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+](C)C	REAL300024467650	0	53	0.0	-65.58	414.62	1.00	-64.58
CC[N@@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467653	1	54	0.0	-65.78	428.15	1.56	-64.22
CC[N@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467653	1	54	0.0	-65.54	428.15	1.59	-63.95
CC(C)(C)C(CNC(=O)C1=C[NH+]=CC=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024467663	0	50	0.0	-64.78	404.60	-0.95	-65.73
C[NH+](C)C(C)(C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467669	0	56	0.0	-66.06	423.95	1.74	-64.32
CC(C)(C)C(CNC(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024467730	0	55	0.0	-66.89	431.83	2.45	-64.44
C[N@@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467736	0	57	0.0	-64.08	438.44	2.17	-61.91
C[N@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467736	1	57	0.0	-64.17	438.45	2.18	-61.99
C[N@@H+]1CCC(=CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024467757	0	55	0.0	-70.41	435.33	2.12	-68.29
C[N@H+]1CCC(=CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024467757	1	55	0.0	-70.45	435.33	2.12	-68.33
CC(C)(C)C(CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024467764	0	44	0.0	-22.37	373.45	-3.83	-26.20
CCC1C[NH+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024467778	1	57	0.0	-67.64	449.14	2.44	-65.20
C[N@@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467783	0	54	0.0	-64.47	422.44	1.59	-62.88
C[N@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467783	1	54	0.0	-66.06	416.49	1.12	-64.94
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024467816	0	57	0.0	-67.34	446.02	2.30	-65.04
CC(C)(C)C(CNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024467854	0	57	0.0	-66.38	438.59	2.47	-63.91
C[N@@H+]1CCCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024467855	0	57	0.0	-63.02	434.82	2.39	-60.63
C[N@H+]1CCCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024467855	1	57	0.0	-63.04	434.80	2.39	-60.65
CN1C=C[N+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)=C1	REAL300024467856	0	52	0.0	-65.26	427.71	4.09	-61.17
C[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C1CC1	REAL300024467866	0	54	0.0	-65.07	425.89	1.99	-63.08
C[N@@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)C1CC1	REAL300024467866	1	54	0.0	-65.06	425.88	1.99	-63.07
C[NH+]1CC(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024467915	0	54	0.0	-68.04	427.93	1.40	-66.64
C[NH+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467921	0	50	0.0	-67.75	396.49	0.58	-67.17
C[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+](C)C	REAL300024467929	0	53	0.0	-65.55	414.38	0.99	-64.56
CC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+]1CC(C)C1	REAL300024467943	1	57	0.0	-64.38	445.68	2.26	-62.12
CC1CC[N@@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467944	1	54	0.0	-65.67	427.76	1.69	-63.98
CC1CC[N@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467944	1	54	0.0	-65.81	427.82	1.66	-64.15
C[NH+](C)CC=CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467946	0	54	0.0	-70.42	433.71	1.82	-68.60
CC[NH+](CC)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024467962	0	56	0.0	-65.39	432.58	1.94	-63.45
CC(C)(C)C(CNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024467967	1	51	0.0	-67.16	406.58	0.99	-66.17
CC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+]1CCC1	REAL300024468006	1	54	0.0	-65.04	426.48	1.51	-63.53
C[N@@H+]1CCCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024468027	0	57	0.0	-64.95	429.13	1.99	-62.96
C[N@H+]1CCCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024468027	1	57	0.0	-64.21	438.48	2.16	-62.05
C=CCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C)[NH+](C)C	REAL300024468046	0	57	0.0	-64.21	440.15	2.06	-62.15
CC(C)(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC(N)=[NH2+]	REAL300024468067	0	48	0.0	-69.06	404.40	-2.48	-71.54
CCC1C[NH+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)C1	REAL300024468116	1	57	0.0	-69.61	449.15	2.45	-67.16
C[N@@H+]1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024468120	0	54	0.0	-65.24	422.17	1.54	-63.70
C[N@H+]1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024468120	1	54	0.0	-66.74	416.44	1.14	-65.60
CC(C)(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCC1	REAL300024468126	0	57	0.0	-68.39	438.59	2.48	-65.91
CC1C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC[N@@H+]1C	REAL300024468130	0	57	0.0	-67.51	431.97	1.78	-65.73
CC1C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)CC[N@H+]1C	REAL300024468130	1	57	0.0	-67.83	442.06	2.17	-65.66
COCCN(CCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468311	0	52	0.0	-68.12	420.31	0.53	-67.59
COCCN(CCNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468311	1	52	0.0	-76.68	413.48	0.64	-76.04
COCCN(CCNC(=O)CN1C=C[NH+]=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468440	1	50	0.0	-67.83	429.75	1.58	-66.25
COCCN(CCNC(=O)CN1C=[NH+]C=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468506	1	50	0.0	-74.45	422.25	2.38	-72.07
CCC(C(=O)NCCN(CCOC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024468515	0	54	0.0	-66.75	430.72	0.97	-65.78
CCC[N@H+](C)CC(=O)NCCN(CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468528	0	54	0.0	-70.51	439.54	1.38	-69.13
CCC[N@@H+](C)CC(=O)NCCN(CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468528	1	54	0.0	-75.60	432.76	1.49	-74.11
COCCN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468539	0	52	0.0	-67.90	426.59	1.04	-66.86
COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468539	1	52	0.0	-72.96	417.89	0.79	-72.17
CC[NH+](CC)CC(=O)NCCN(CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468549	0	54	0.0	-68.64	431.90	1.05	-67.59
CC[N@H+](C)CCC(=O)NCCN(CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468645	0	54	0.0	-77.76	433.63	1.31	-76.45
CC[N@@H+](C)CCC(=O)NCCN(CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468645	1	54	0.0	-72.95	440.41	1.19	-71.76
CC[C@@H](C(=O)NCCN(CCOC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024468651	0	54	0.0	-71.55	423.78	1.10	-70.45
COCCN(CCNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468680	0	48	0.0	-70.96	400.31	-0.03	-70.99
COCCN(CCNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468681	0	50	0.0	-74.31	424.77	3.59	-70.72
COCCN(CCNC(=O)C(C)[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468689	1	52	0.0	-69.73	430.32	0.90	-68.83
COCCN(CCNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468697	0	52	0.0	-73.07	422.94	1.49	-71.58
COCCN(CCNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468697	1	52	0.0	-73.46	422.94	1.49	-71.97
COCCN(CCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468706	0	52	0.0	-71.96	431.76	0.79	-71.17
COCCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468715	0	51	0.0	-73.15	411.43	0.49	-72.66
COCCN(CCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024468721	0	42	0.0	-24.36	377.29	-4.44	-28.80
COCCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468746	0	51	0.0	-73.15	411.43	0.49	-72.66
COCCN(CCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468772	1	49	0.0	-70.97	410.41	0.39	-70.58
COCCN(CCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468779	0	53	0.0	-75.84	439.17	1.51	-74.33
COCCN(CCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468779	1	53	0.0	-79.97	432.38	1.63	-78.34
COCCN(CCNC(=O)[C@@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468793	0	51	0.0	-75.24	411.67	0.50	-74.74
COCCN(CCNC(=O)C[NH+]1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468805	1	52	0.0	-75.77	424.80	1.18	-74.59
COCCN(CCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468816	1	52	0.0	-70.81	428.40	-2.60	-73.41
COCCN(CCNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468816	1	52	0.0	-71.20	428.17	-2.60	-73.80
CC[N@H+](C)CC(=O)NCCN(CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468828	0	51	0.0	-75.45	411.27	0.75	-74.70
CC[N@@H+](C)CC(=O)NCCN(CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468828	1	51	0.0	-75.35	411.26	0.76	-74.59
COCCN(CCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468852	0	52	0.0	-75.91	437.54	1.22	-74.69
CC[N@@H+]1CCC1C(=O)NCCN(CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468865	1	52	0.0	-74.84	421.72	1.07	-73.77
CC[N@H+]1CCC1C(=O)NCCN(CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468865	1	52	0.0	-74.87	425.16	1.11	-73.76
COCCN(CCNC(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468885	0	53	0.0	-75.83	428.87	1.96	-73.87
COCCN(CCNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468890	0	54	0.0	-74.13	427.78	1.13	-73.00
COCCN(CCNC(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468925	0	52	0.0	-75.51	422.74	1.67	-73.84
COCCN(CCNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468934	0	53	0.0	-78.62	423.57	1.47	-77.15
COCCN(CCNC(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468934	1	53	0.0	-73.98	432.36	1.16	-72.82
COCCN(CCNC(=O)C(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468965	0	54	0.0	-73.05	438.72	1.25	-71.80
COCCN(CCNC(=O)C[N@@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468981	1	52	0.0	-74.83	429.20	1.31	-73.52
COCCN(CCNC(=O)C[N@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468981	1	52	0.0	-73.78	419.33	0.90	-72.88
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024469146	0	52	0.0	-70.91	426.08	0.80	-70.11
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024469146	1	52	0.0	-69.49	419.84	0.55	-68.94
CCC(C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CCOC)[NH+](C)C	REAL300024469290	0	54	0.0	-64.92	421.44	0.92	-64.00
CCC[N@H+](C)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CCOC	REAL300024469299	0	54	0.0	-67.03	437.08	1.54	-65.49
CCC[N@@H+](C)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CCOC	REAL300024469299	1	54	0.0	-73.70	439.53	1.30	-72.40
CC[N@H+](C)CCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CCOC	REAL300024469331	0	54	0.0	-76.04	440.40	1.17	-74.87
CC[N@@H+](C)CCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CCOC	REAL300024469331	1	54	0.0	-72.31	433.62	1.27	-71.04
CC[C@@H](C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CCOC)[NH+](C)C	REAL300024469408	0	54	0.0	-71.25	427.04	0.89	-70.36
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=C[NH+]=C1C	REAL300024469439	1	50	0.0	-67.42	422.96	1.60	-65.82
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=[NH+]C=C1C	REAL300024469455	1	50	0.0	-72.12	429.02	2.20	-69.92
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024469490	0	52	0.0	-70.93	426.06	0.80	-70.13
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024469490	1	52	0.0	-67.34	416.47	0.68	-66.66
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL300024469584	0	51	0.0	-71.08	411.41	0.25	-70.83
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024469602	1	52	0.0	-68.94	421.61	-2.58	-71.52
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024469602	1	52	0.0	-67.98	425.72	-2.45	-70.43
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)C1	REAL300024469636	1	52	0.0	-69.04	424.80	1.09	-67.95
CC[N@H+](C)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CCOC	REAL300024469664	0	51	0.0	-73.53	418.03	0.57	-72.96
CC[N@@H+](C)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CCOC	REAL300024469664	1	51	0.0	-73.45	418.04	0.56	-72.89
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024469715	0	53	0.0	-73.07	423.65	0.74	-72.33
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C	REAL300024469715	1	53	0.0	-75.20	415.08	1.10	-74.10
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)C[NH+](C)C	REAL300024469723	0	54	0.0	-72.15	431.91	1.19	-70.96
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300024469728	0	52	0.0	-74.55	420.62	0.37	-74.18
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H](C)[NH+](C)C	REAL300024469737	0	51	0.0	-72.31	417.25	0.31	-72.00
CC[N@@H+]1CCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CCOC	REAL300024469740	1	52	0.0	-69.08	423.78	0.88	-68.20
CC[N@H+]1CCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CCOC	REAL300024469740	1	52	0.0	-72.94	430.46	0.83	-72.11
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[NH+]=CC=C1N	REAL300024469750	0	48	0.0	-74.12	413.69	-2.14	-76.26
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024469755	0	54	0.0	-66.73	408.59	0.83	-65.90
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024469808	0	53	0.0	-73.93	435.70	1.77	-72.16
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024469830	0	53	0.0	-78.04	440.03	1.52	-76.52
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024469830	1	53	0.0	-77.91	439.07	1.55	-76.36
COCCN(CCNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024469836	0	42	0.0	-25.41	370.50	-4.41	-29.82
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024469851	0	52	0.0	-66.16	411.57	0.74	-65.42
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024469851	1	52	0.0	-66.17	423.70	0.90	-65.27
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024469911	0	50	0.0	-71.31	431.54	3.41	-67.90
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024469919	0	52	0.0	-71.12	429.71	1.31	-69.81
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024469919	1	52	0.0	-71.38	429.72	1.31	-70.07
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024469962	0	52	0.0	-71.46	429.30	1.00	-70.46
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024469967	0	48	0.0	-69.75	393.53	-0.01	-69.76
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL300024469973	0	51	0.0	-71.08	411.41	0.25	-70.83
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC1C	REAL300024469986	1	52	0.0	-68.67	424.87	1.07	-67.60
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC1C	REAL300024469986	1	52	0.0	-66.08	425.13	0.88	-65.20
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024469987	0	52	0.0	-75.91	432.16	1.19	-74.72
CC[NH+](CC)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CCOC	REAL300024470000	0	54	0.0	-68.07	429.57	1.32	-66.75
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024470005	1	49	0.0	-67.88	407.96	0.56	-67.32
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1CCC1	REAL300024470040	1	52	0.0	-69.79	423.19	0.38	-69.41
COCCN(CCNC(=O)CSC(N)=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024470091	0	46	0.0	-73.42	408.85	-3.16	-76.58
COCCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024470138	0	52	0.0	-76.39	417.89	0.78	-75.61
COCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024470138	1	52	0.0	-66.58	426.02	0.93	-65.65
C[C@@H](NC(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470276	0	55	0.0	-70.76	430.57	3.46	-67.30
C[C@@H](NC(=O)C1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470276	1	55	0.0	-73.72	424.70	2.99	-70.73
CCC(C(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024470376	0	57	0.0	-69.97	435.29	3.43	-66.54
CCC[N@H+](C)CC(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470381	0	57	0.0	-73.67	443.87	3.83	-69.84
CCC[N@@H+](C)CC(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470381	1	57	0.0	-73.59	443.88	3.84	-69.75
C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470389	0	55	0.0	-70.70	431.01	3.48	-67.22
C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470389	1	55	0.0	-73.72	424.64	2.98	-70.74
CC[NH+](CC)CC(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470394	0	57	0.0	-71.77	436.22	3.51	-68.26
CC[N@H+](C)CCC(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470450	0	57	0.0	-74.94	444.71	3.63	-71.31
CC[N@@H+](C)CCC(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470450	1	57	0.0	-75.01	444.73	3.63	-71.38
CC[C@@H](C(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024470453	0	57	0.0	-70.03	435.29	3.43	-66.60
C[C@@H](NC(=O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470471	0	51	0.0	-73.85	404.64	2.43	-71.42
CC(C(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024470475	1	55	0.0	-72.46	434.64	3.36	-69.10
C[C@@H](NC(=O)C[N@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470481	0	55	0.0	-71.15	434.05	3.84	-67.31
C[C@@H](NC(=O)C[N@@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470481	1	55	0.0	-70.84	433.90	3.83	-67.01
C[C@@H](NC(=O)CC1C[NH+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470487	0	55	0.0	-73.54	436.08	3.24	-70.30
C[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470494	0	54	0.0	-71.61	422.75	2.83	-68.78
C[C@@H](NC(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024470497	0	45	0.0	-25.46	381.60	-1.98	-27.44
C[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470515	0	54	0.0	-71.61	422.75	2.83	-68.78
C[C@@H](NC(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470533	1	52	0.0	-73.79	414.74	2.84	-70.95
C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470544	0	54	0.0	-72.52	422.77	2.85	-69.67
C[C@@H](NC(=O)C[NH+]1CC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470550	1	55	0.0	-74.13	430.10	3.29	-70.84
CC[N@H+](C)CC(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470567	0	54	0.0	-73.30	422.37	3.10	-70.20
CC[N@@H+](C)CC(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470567	1	54	0.0	-73.22	422.38	3.10	-70.12
C[C@@H](NC(=O)C=CC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470583	0	55	0.0	-77.09	441.86	3.69	-73.40
CC[N@@H+]1CCC1C(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470589	1	55	0.0	-72.98	436.28	3.40	-69.58
CC[N@H+]1CCC1C(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470589	1	55	0.0	-71.14	429.22	3.06	-68.08
C[C@@H](NC(=O)C(C)(C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470602	0	57	0.0	-78.60	432.10	3.58	-75.02
C[C@@H](NC(=O)C1([NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470624	0	55	0.0	-77.51	431.34	3.08	-74.43
CC(C[NH+](C)C)C(=O)N[C@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470646	0	57	0.0	-67.54	442.31	3.82	-63.72
C[C@@H](NC(=O)C[N@@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470655	1	55	0.0	-72.52	431.36	3.21	-69.31
C[C@@H](NC(=O)C[N@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470655	1	55	0.0	-72.51	431.34	3.22	-69.29
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300024470764	0	55	0.0	-68.22	427.36	3.16	-65.06
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300024470764	1	55	0.0	-68.22	423.03	2.86	-65.36
CCC(C(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024470835	0	57	0.0	-68.51	434.58	3.32	-65.19
CCC[N@H+](C)CC(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470839	0	57	0.0	-74.29	439.21	3.43	-70.86
CCC[N@@H+](C)CC(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470839	1	57	0.0	-71.20	443.87	3.74	-67.46
CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470856	0	57	0.0	-72.98	444.73	3.58	-69.40
CC[N@@H+](C)CCC(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470856	1	57	0.0	-72.88	444.76	3.58	-69.30
CC[C@@H](C(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024470896	0	57	0.0	-67.93	428.98	3.11	-64.82
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	REAL300024470942	0	55	0.0	-68.11	426.11	3.09	-65.02
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	REAL300024470942	1	55	0.0	-68.27	423.06	2.86	-65.41
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300024470996	0	54	0.0	-69.69	420.65	2.66	-67.03
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)C2)CC1	REAL300024471020	1	55	0.0	-71.22	435.97	3.41	-67.81
CC[N@H+](C)CC(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471038	0	54	0.0	-73.90	417.71	2.68	-71.22
CC[N@@H+](C)CC(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471038	1	54	0.0	-73.87	417.71	2.68	-71.19
CC(C[NH+](C)C)C(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471068	0	57	0.0	-72.12	442.29	3.42	-68.70
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CC2)CC1	REAL300024471071	0	55	0.0	-70.58	423.36	2.79	-67.79
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1	REAL300024471075	0	54	0.0	-68.56	420.65	2.64	-65.92
CC[N@@H+]1CCC1C(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471078	0	55	0.0	-70.36	435.18	3.20	-67.16
CC[N@H+]1CCC1C(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471078	1	55	0.0	-68.82	427.77	2.95	-65.87
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)[NH+](C)C)CC1	REAL300024471086	0	57	0.0	-72.78	425.03	2.78	-70.00
C[C@@H](NC(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])CC1	REAL300024471132	0	45	0.0	-25.70	381.60	-2.09	-27.79
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300024471145	0	55	0.0	-71.09	423.21	2.84	-68.25
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300024471145	1	55	0.0	-71.86	430.37	3.26	-68.60
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CC2)CC1	REAL300024471182	0	55	0.0	-69.00	434.06	3.73	-65.27
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CC2)CC1	REAL300024471182	1	55	0.0	-68.19	433.95	3.72	-64.47
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2C[NH+](C)C2)CC1	REAL300024471210	0	55	0.0	-73.27	435.91	3.19	-70.08
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)CC1	REAL300024471213	0	51	0.0	-71.74	404.62	2.32	-69.42
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300024471216	0	54	0.0	-69.69	420.65	2.66	-67.03
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC2C)CC1	REAL300024471223	0	55	0.0	-70.30	435.99	3.39	-66.91
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC2C)CC1	REAL300024471223	1	55	0.0	-73.88	436.00	3.39	-70.49
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+](C)C)CC1	REAL300024471224	0	55	0.0	-76.82	439.56	3.55	-73.27
CC[NH+](CC)CC(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471230	0	57	0.0	-69.32	436.07	3.38	-65.94
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024471231	1	52	0.0	-71.17	414.77	2.73	-68.44
CC(C(=O)N1CCC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024471253	0	55	0.0	-72.67	433.25	3.25	-69.42
C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471321	0	55	0.0	-71.89	424.69	2.98	-68.91
C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471321	1	55	0.0	-69.73	430.35	3.38	-66.35
C[C@H](NC(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471443	0	55	0.0	-71.65	419.47	2.69	-68.96
C[C@H](NC(=O)C1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471443	1	55	0.0	-73.24	419.49	2.71	-70.53
CCC(C(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024471543	0	57	0.0	-70.82	433.19	3.76	-67.06
CCC[N@H+](C)CC(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471548	0	57	0.0	-73.59	443.86	3.83	-69.76
CCC[N@@H+](C)CC(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471548	1	57	0.0	-73.41	438.67	3.56	-69.85
C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471556	0	55	0.0	-70.42	425.76	3.21	-67.21
C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471556	1	55	0.0	-73.24	419.48	2.69	-70.55
CC[NH+](CC)CC(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471561	0	57	0.0	-71.60	431.03	3.24	-68.36
CC[N@H+](C)CCC(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471617	0	57	0.0	-74.57	439.54	3.36	-71.21
CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471617	1	57	0.0	-74.56	439.54	3.36	-71.20
CC[C@@H](C(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024471620	0	57	0.0	-70.91	435.29	3.43	-67.48
C[C@H](NC(=O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471638	0	51	0.0	-73.72	399.44	2.15	-71.57
CC(C(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024471642	1	55	0.0	-72.06	429.48	3.09	-68.97
C[C@H](NC(=O)C[N@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471648	0	55	0.0	-70.41	428.72	3.56	-66.85
C[C@H](NC(=O)C[N@@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471648	1	55	0.0	-70.54	428.71	3.56	-66.98
C[C@H](NC(=O)CC1C[NH+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471654	0	55	0.0	-73.61	430.89	2.97	-70.64
C[C@H](NC(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471661	0	54	0.0	-72.55	422.74	2.83	-69.72
C[C@H](NC(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024471664	0	45	0.0	-24.66	376.40	-2.25	-26.91
C[C@H](NC(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471682	0	54	0.0	-72.55	422.74	2.83	-69.72
C[C@H](NC(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471700	1	52	0.0	-73.72	414.73	2.84	-70.88
C[C@H](C(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024471711	0	54	0.0	-72.17	417.58	2.58	-69.59
C[C@H](NC(=O)C[NH+]1CC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471717	1	55	0.0	-73.66	429.53	3.32	-70.34
CC[N@H+](C)CC(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471734	0	54	0.0	-73.06	417.17	2.83	-70.23
CC[N@@H+](C)CC(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471734	1	54	0.0	-73.02	417.18	2.83	-70.19
C[C@H](NC(=O)C=CC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471750	0	55	0.0	-76.68	435.40	3.37	-73.31
CC[N@@H+]1CCC1C(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471756	1	55	0.0	-71.27	423.33	3.01	-68.26
CC[N@H+]1CCC1C(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471756	1	55	0.0	-71.11	424.02	2.80	-68.31
C[C@H](NC(=O)C(C)(C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471769	0	57	0.0	-75.91	426.59	3.32	-72.59
C[C@H](NC(=O)C1([NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471791	0	55	0.0	-77.65	421.72	3.50	-74.15
CC(C[NH+](C)C)C(=O)N[C@@H](C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471813	0	57	0.0	-74.34	437.85	3.42	-70.92
C[C@H](NC(=O)C[N@@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471822	1	55	0.0	-71.97	430.78	3.24	-68.73
C[C@H](NC(=O)C[N@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471822	1	55	0.0	-72.28	430.77	3.24	-69.04
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300024471931	0	55	0.0	-70.88	422.16	2.89	-67.99
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300024471931	1	55	0.0	-72.18	417.81	2.60	-69.58
CCC(C(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024472002	0	57	0.0	-72.09	429.40	3.05	-69.04
CCC[N@H+](C)CC(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472006	0	57	0.0	-74.19	438.71	3.46	-70.73
CCC[N@@H+](C)CC(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472006	1	57	0.0	-74.17	438.75	3.44	-70.73
CC[N@H+](C)CCC(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472023	0	57	0.0	-75.79	439.55	3.31	-72.48
CC[N@@H+](C)CCC(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472023	1	57	0.0	-75.74	439.54	3.30	-72.44
CC[C@@H](C(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024472063	0	57	0.0	-70.19	423.79	2.85	-67.34
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	REAL300024472109	0	55	0.0	-70.80	420.89	2.83	-67.97
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	REAL300024472109	1	55	0.0	-72.29	417.87	2.59	-69.70
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300024472163	0	54	0.0	-72.17	416.16	2.44	-69.73
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)C2)CC1	REAL300024472187	1	55	0.0	-74.22	430.75	3.13	-71.09
CC[N@H+](C)CC(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472205	0	54	0.0	-73.73	417.21	2.72	-71.01
CC[N@@H+](C)CC(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472205	1	54	0.0	-73.74	417.26	2.69	-71.05
CC(C[NH+](C)C)C(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472235	0	57	0.0	-72.07	440.68	3.34	-68.73
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CC2)CC1	REAL300024472238	0	55	0.0	-75.05	426.87	3.08	-71.97
C[C@H](C(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024472242	0	54	0.0	-72.17	415.45	2.37	-69.80
CC[N@@H+]1CCC1C(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472245	0	55	0.0	-73.53	430.00	2.93	-70.60
CC[N@H+]1CCC1C(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472245	1	55	0.0	-71.55	421.21	2.58	-68.97
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)[NH+](C)C)CC1	REAL300024472253	0	57	0.0	-75.42	420.40	2.74	-72.68
C[C@H](NC(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])CC1	REAL300024472299	0	45	0.0	-25.47	381.57	-2.10	-27.57
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300024472312	0	55	0.0	-72.66	417.91	2.57	-70.09
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300024472312	1	55	0.0	-68.28	426.78	3.15	-65.13
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CC2)CC1	REAL300024472349	0	55	0.0	-71.63	428.87	3.46	-68.17
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CC2)CC1	REAL300024472349	1	55	0.0	-70.99	428.73	3.45	-67.54
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2C[NH+](C)C2)CC1	REAL300024472377	0	55	0.0	-75.19	430.76	2.91	-72.28
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)CC1	REAL300024472380	0	51	0.0	-74.54	399.47	2.04	-72.50
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300024472383	0	54	0.0	-72.17	416.16	2.44	-69.73
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC2C)CC1	REAL300024472390	0	55	0.0	-69.68	435.96	3.40	-66.28
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC2C)CC1	REAL300024472390	1	55	0.0	-70.26	435.92	3.38	-66.88
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+](C)C)CC1	REAL300024472391	0	55	0.0	-78.26	435.57	3.30	-74.96
CC[NH+](CC)CC(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472397	0	57	0.0	-72.24	431.03	3.12	-69.12
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024472398	1	52	0.0	-74.26	409.57	2.46	-71.80
CC(C(=O)N1CCC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024472420	0	55	0.0	-72.04	428.07	2.98	-69.06
C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472488	0	55	0.0	-73.68	424.62	2.96	-70.72
C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472488	1	55	0.0	-70.08	430.29	3.37	-66.71
CN(C(=O)C1CCC[N@@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024472701	0	49	0.0	-68.48	393.11	1.54	-66.94
CN(C(=O)C1CCC[N@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024472701	1	49	0.0	-66.29	391.30	1.44	-64.85
CN(C(=O)C1C[N@H+](C)CCO1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024472725	1	50	0.0	-84.17	401.95	1.03	-83.14
CN(C(=O)C1C[N@@H+](C)CCO1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024472725	1	50	0.0	-84.84	403.75	1.08	-83.76
CC(C)[N@@H+]1CCCC1C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024472869	0	55	0.0	-67.82	427.20	2.71	-65.11
CC(C)[N@H+]1CCCC1C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024472869	1	55	0.0	-70.19	419.98	3.09	-67.10
CC1=[NH+]C=CN1CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024472892	1	47	0.0	-68.95	399.17	2.38	-66.57
CN(C(=O)C1C[NH+]2CCC1CC2)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024472912	0	53	0.0	-74.35	404.26	2.14	-72.21
C[C@@H]1[C@H](C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024472940	0	52	0.0	-77.41	404.64	1.70	-75.71
C[C@@H]1[C@H](C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024472940	1	52	0.0	-75.18	410.60	2.27	-72.91
CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024472942	0	55	0.0	-75.04	422.57	2.28	-72.76
CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024472942	1	55	0.0	-72.95	429.77	2.78	-70.17
CC[N@@H+]1CCOC(C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024472947	1	53	0.0	-78.28	421.34	1.61	-76.67
CC[N@H+]1CCOC(C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024472947	1	53	0.0	-73.83	412.85	2.95	-70.88
CC1CCC(C)[NH+]1CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024472992	0	55	0.0	-69.01	427.02	2.79	-66.22
CN(C(=O)CCC[NH+]1CCCC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024472994	0	55	0.0	-73.89	439.62	3.35	-70.54
CN(C(=O)CC[NH+]1CCCCC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024472997	0	55	0.0	-74.02	433.74	3.25	-70.77
CC[N@@H+]1CCCCC1C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473000	0	55	0.0	-69.09	428.23	2.96	-66.13
CC[N@H+]1CCCCC1C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473000	1	55	0.0	-70.05	416.02	2.47	-67.58
CN(C(=O)C1([NH+](C)C)CCC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473010	0	52	0.0	-75.17	397.80	1.70	-73.47
CC(C)[C@@H](C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024473016	0	54	0.0	-67.91	409.53	2.47	-65.44
CN(C(=O)C[N@H+](C)C1CCC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473034	0	52	0.0	-65.53	408.81	4.02	-61.51
CN(C(=O)C[N@@H+](C)C1CCC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473034	1	52	0.0	-67.21	413.18	2.57	-64.64
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473088	1	51	0.0	-71.10	415.20	2.50	-68.60
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473088	1	51	0.0	-71.67	422.13	2.95	-68.72
CN(C(=O)CCC1CCC[N@@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473093	0	55	0.0	-70.09	428.88	2.66	-67.43
CN(C(=O)CCC1CCC[N@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473093	1	55	0.0	-76.87	437.34	3.25	-73.62
CN(C(=O)C1CC[NH+](C)CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473109	0	52	0.0	-81.02	409.89	2.09	-78.93
CN(C(=O)C1CCCC[N@@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473136	0	52	0.0	-65.57	407.39	2.19	-63.38
CN(C(=O)C1CCCC[N@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473136	1	52	0.0	-71.80	402.45	2.01	-69.79
CN(C(=O)CC[NH+]1CCOCC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473189	1	53	0.0	-77.32	425.05	0.83	-76.49
CC1=C[NH+]=CN1CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473201	1	47	0.0	-72.12	399.50	3.11	-69.01
CN(C(=O)C12CCC[NH+]1CCC2)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473217	0	53	0.0	-68.70	407.63	2.10	-66.60
CN(C(=O)CC1CC[N@H+](C)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473222	0	52	0.0	-75.59	416.05	2.42	-73.17
CN(C(=O)CC1CC[N@@H+](C)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473222	1	52	0.0	-77.05	416.41	2.37	-74.68
CCC(C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024473228	0	51	0.0	-70.34	396.43	1.59	-68.75
CN(C(=O)CCCC[NH+](C)C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473275	0	54	0.0	-75.73	435.15	2.96	-72.77
CC(C)C(C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024473286	0	54	0.0	-72.03	413.31	2.66	-69.37
CCC[N@H+](C)CCC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473287	0	54	0.0	-76.21	431.47	2.73	-73.48
CCC[N@@H+](C)CCC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473287	1	54	0.0	-71.33	430.30	2.76	-68.57
CCC[N@H+](C)CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473290	0	51	0.0	-73.43	409.15	2.13	-71.30
CCC[N@@H+](C)CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473290	1	51	0.0	-72.72	408.97	2.19	-70.53
CN(C(=O)C12CC[N@H+](C1)CCC2)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473303	0	53	0.0	-73.99	403.97	1.56	-72.43
CN(C(=O)C12CC[N@@H+](C1)CCC2)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473303	1	53	0.0	-76.87	400.57	1.40	-75.47
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473325	0	49	0.0	-66.48	387.67	1.41	-65.07
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473325	1	49	0.0	-71.43	388.60	1.32	-70.11
CC[NH+](CC)CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473352	0	51	0.0	-70.81	401.37	1.85	-68.96
CC1CC[NH+](CC(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024473405	0	55	0.0	-73.22	431.76	3.27	-69.95
CN(C(=O)C1(C[NH+](C)C)CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473423	0	52	0.0	-69.94	414.57	2.18	-67.76
CN(C(=O)C1CC[NH+](C)CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473469	0	52	0.0	-81.02	409.89	2.09	-78.93
CC(C)[C@H](C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024473484	0	54	0.0	-71.86	414.98	2.57	-69.29
CCC(C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024473511	0	57	0.0	-67.03	429.26	2.63	-64.40
CC[N@H+](C)CCC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473541	0	51	0.0	-75.43	409.97	1.99	-73.44
CC[N@@H+](C)CCC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473541	1	51	0.0	-75.47	409.97	1.98	-73.49
CC1CCC[N@@H+]1CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473564	0	52	0.0	-70.18	415.91	2.40	-67.78
CC1CCC[N@H+]1CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473564	1	52	0.0	-65.87	405.64	1.98	-63.89
CC1CC[N@H+](CC(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024473565	0	52	0.0	-71.55	415.97	2.43	-69.12
CC1CC[N@@H+](CC(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024473565	1	52	0.0	-72.72	415.18	2.49	-70.23
CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473567	0	55	0.0	-72.05	435.41	3.02	-69.03
CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473567	1	55	0.0	-72.61	434.91	2.99	-69.62
CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473568	0	57	0.0	-72.62	439.16	3.34	-69.28
CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473568	1	57	0.0	-72.69	437.57	3.17	-69.52
CC[C@@H](C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024473575	0	51	0.0	-63.32	390.62	2.91	-60.41
CN(C(=O)C[NH+](C)C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473647	0	45	0.0	-73.14	369.79	0.77	-72.37
CN(C(=O)C[NH+]1CCCCCC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473650	0	55	0.0	-72.72	420.89	2.77	-69.95
CN(C(=O)C[N+]1=CN(C)C=C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473653	0	47	0.0	-69.98	400.97	4.28	-65.70
CN(C(=O)C1CCC[N@H+](C)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473657	0	52	0.0	-62.55	396.31	3.58	-58.97
CN(C(=O)C1CCC[N@@H+](C)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473657	1	52	0.0	-72.91	411.11	2.19	-70.72
CN(C(=O)C1CCC[N@@H+]1C1CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473662	0	53	0.0	-71.06	420.97	2.77	-68.29
CN(C(=O)C1CCC[N@H+]1C1CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473662	1	53	0.0	-71.72	419.59	2.64	-69.08
CC(C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024473674	0	49	0.0	-66.78	389.79	1.35	-65.43
CCC(CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024473678	0	57	0.0	-78.38	444.72	3.42	-74.96
CN(C(=O)C(C)(C)C[NH+](C)C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473683	0	54	0.0	-67.00	406.19	1.91	-65.09
CN(C(=O)C[NH+]1CCC(O)CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473694	0	53	0.0	-77.33	422.61	-0.71	-78.04
CN(C(=O)C[N@H+](C)C1CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473695	0	49	0.0	-70.16	399.19	2.18	-67.98
CN(C(=O)C[N@@H+](C)C1CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473695	1	49	0.0	-69.75	399.00	2.18	-67.57
CN(C(=O)CC1C[NH+](C)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473709	0	49	0.0	-74.56	401.29	1.58	-72.98
CN(C(=O)C1CC[N@@H+]1C(C)(C)C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473719	0	55	0.0	-70.40	430.22	2.40	-68.00
CN(C(=O)C1CC[N@H+]1C(C)(C)C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473719	1	55	0.0	-65.66	426.91	2.22	-63.44
C[C@@H](C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024473729	0	48	0.0	-67.74	382.97	0.95	-66.79
CN(C(=O)CN=[N+]=[N-])C1CC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024473736	0	39	0.0	-24.23	346.74	-3.63	-27.86
CN(C(=O)CN1C=CSC1=[NH2+])C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473778	0	45	0.0	-68.56	396.70	0.98	-67.58
CN(C(=O)CC[N@H+](C)CCO)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473783	0	52	0.0	-70.26	419.16	-1.19	-71.45
CN(C(=O)CC[N@@H+](C)CCO)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473783	1	52	0.0	-74.70	420.31	-1.26	-75.96
C[C@@H](C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024473784	0	48	0.0	-67.74	382.97	0.95	-66.79
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473787	0	52	0.0	-68.68	409.59	2.24	-66.44
CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473787	1	52	0.0	-71.44	398.36	1.83	-69.61
CN(C(=O)C[NH+]1CCC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473832	1	46	0.0	-73.77	380.17	1.20	-72.57
CN(C(=O)C=C1CC[N@H+](C)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473846	0	50	0.0	-77.61	406.37	2.34	-75.27
CN(C(=O)C=C1CC[N@@H+](C)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473846	1	50	0.0	-76.60	407.78	2.34	-74.26
CN(C(=O)COCC[NH+](C)C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473866	0	52	0.0	-73.17	425.65	1.90	-71.27
C=CCC(C)(C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024473877	0	55	0.0	-67.19	415.53	2.30	-64.89
CN(C(=O)C1(C)CC(O)C[N@@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473894	0	53	0.0	-80.21	407.95	-1.50	-81.71
CC1CN(CC(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024473911	0	49	0.0	-73.51	401.08	1.86	-71.65
CC1C[NH+](CC(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024473911	1	49	0.0	-73.51	401.08	1.86	-71.65
CN(CCO)CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473928	0	49	0.0	-73.47	397.82	-1.79	-75.26
CN(C(=O)C[N@H+](C)CCO)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473928	1	49	0.0	-72.96	397.60	-1.81	-74.77
CN(C(=O)C[N@@H+](C)CCO)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473928	1	49	0.0	-72.96	397.60	-1.81	-74.77
CC[N@@H+]1CCCC(C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024473947	0	55	0.0	-72.21	426.98	2.80	-69.41
CC[N@H+]1CCCC(C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024473947	1	55	0.0	-72.21	426.98	2.80	-69.41
CC(CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024473949	0	54	0.0	-78.64	426.92	2.81	-75.83
CC[N@H+](C)CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473952	0	48	0.0	-69.02	384.69	1.26	-67.76
CC[N@H+](CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024473976	0	52	0.0	-70.45	416.02	2.75	-67.70
CC[NH+](CC)CCC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473984	0	54	0.0	-74.10	423.38	2.45	-71.65
CN(C(=O)CN1CC(C)(C)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473998	0	52	0.0	-73.68	420.34	2.29	-71.39
CN(C(=O)C[NH+]1CC(C)(C)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473998	1	52	0.0	-73.68	420.34	2.29	-71.39
CN(C(=O)C[N@@H+]1CCC(C)(O)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474014	0	53	0.0	-72.39	425.93	-0.85	-73.24
CN(C(=O)C=CC[NH+](C)C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474017	0	49	0.0	-77.42	406.19	2.06	-75.36
COCCN(C)CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474030	0	52	0.0	-72.67	419.85	0.60	-72.07
COCC[N@H+](C)CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474030	1	52	0.0	-74.15	420.26	0.56	-73.59
COCC[N@@H+](C)CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474030	1	52	0.0	-74.15	420.26	0.56	-73.59
CN(C(=O)C1([NH+](C)C)CCCC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474047	0	55	0.0	-77.80	411.91	2.51	-75.29
CC(CCC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024474049	0	54	0.0	-73.10	427.14	2.56	-70.54
CC[N@@H+]1CCC1C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474055	0	49	0.0	-70.04	393.30	1.41	-68.63
CN(C(=O)C[N@@H+]1CCCC1CO)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474065	0	53	0.0	-72.22	424.00	-0.80	-73.02
CN(C(=O)C1(C)CC[NH+](C)CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474081	0	55	0.0	-75.27	414.64	2.05	-73.22
C=CCC(C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024474097	0	52	0.0	-69.18	411.11	2.11	-67.07
CN(C(=O)C1CC(C)(C)C[N@@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474104	0	55	0.0	-69.78	434.96	2.73	-67.05
CN(C(=O)C1CC(C)(C)C[N@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474104	1	55	0.0	-69.78	434.96	2.73	-67.05
CN(C(=O)CCCCC[NH+](C)C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474106	0	57	0.0	-74.91	456.65	3.74	-71.17
CN(C(=O)C[NH+]1CC2CC2C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474111	0	50	0.0	-72.69	405.07	2.64	-70.05
CCCC(C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024474123	0	54	0.0	-70.62	419.16	2.39	-68.23
CN(C(=O)C(C)(C)[NH+](C)C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474126	0	51	0.0	-74.85	389.22	1.44	-73.41
CN(C(=O)C1CCCC[N@@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474149	0	52	0.0	-71.80	402.45	2.01	-69.79
CN(C(=O)CC1=CC[N@H+](C)CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474168	0	53	0.0	-70.38	426.08	2.97	-67.41
CN(C(=O)CC1=CC[N@@H+](C)CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474168	1	53	0.0	-71.14	429.01	3.10	-68.04
CN(C(=O)C=CC[NH+]1CCCC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474198	0	53	0.0	-76.23	431.27	3.22	-73.01
CN(C(=O)C1([NH+](C)C)CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474224	0	49	0.0	-74.99	390.84	1.24	-73.75
CN(C(=O)CC[NH+]1CCCC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474225	0	52	0.0	-74.09	418.07	2.53	-71.56
CN(C(=O)C1C[NH+]2CCN1CC2)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474246	0	52	0.0	-80.55	402.42	-1.18	-81.73
CN(C(=O)C12CC(C1)C[N@@H+]2C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474250	0	50	0.0	-75.31	395.66	2.04	-73.27
CN(C(=O)C12CC(C1)C[N@H+]2C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474250	1	50	0.0	-75.14	395.97	2.05	-73.09
CN(C(=O)C[N@@H+]1CC2CCC1C2)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474255	0	53	0.0	-70.55	416.32	2.88	-67.67
CN(C(=O)C[N@H+]1CC2CCC1C2)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474255	1	53	0.0	-71.40	416.43	2.83	-68.57
CN(C(=O)C[N@@H+]1CC2C=CC1C2)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474290	1	51	0.0	-71.53	409.38	2.71	-68.82
CN(C(=O)C[N@H+]1CC2C=CC1C2)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474290	1	51	0.0	-70.82	408.87	2.74	-68.08
CC(C[NH+](C)C)C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474320	0	51	0.0	-74.17	406.45	1.78	-72.39
CN(C(=O)CC1CCCC[N@@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474359	0	55	0.0	-66.36	421.60	2.83	-63.53
CN(C(=O)CC1CCCC[N@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474359	1	55	0.0	-67.47	421.61	2.83	-64.64
CC(C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024474368	0	52	0.0	-71.08	412.55	2.16	-68.92
CC1CC[N@@H+]1CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474370	0	49	0.0	-71.66	401.06	1.84	-69.82
CC1CC[N@H+]1CC(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474370	1	49	0.0	-72.18	401.14	1.84	-70.34
CN(C(=O)CC(O)C[NH+](C)C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474372	0	52	0.0	-78.29	422.49	-0.20	-78.49
CC1C[N@H+](C)CC(C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024474389	1	53	0.0	-79.16	417.73	1.71	-77.45
CC1C[N@@H+](C)CC(C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024474389	1	53	0.0	-83.30	416.47	1.75	-81.55
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474427	0	52	0.0	-75.44	418.40	2.43	-73.01
CC(CC[NH+](C)C)C(=O)N(C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474431	0	54	0.0	-75.39	425.05	2.36	-73.03
CN(C(=O)CN1CC[NH+](C)CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474446	1	54	0.0	-71.05	425.97	0.09	-70.96
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CCC[N@@H+]2C)C1	REAL300024474616	0	49	0.0	-68.78	389.75	1.40	-67.38
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CCC[N@H+]2C)C1	REAL300024474616	1	49	0.0	-73.91	389.24	1.36	-72.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2C[N@H+](C)CCO2)C1	REAL300024474642	1	50	0.0	-78.09	400.14	1.09	-77.00
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2C[N@@H+](C)CCO2)C1	REAL300024474642	1	50	0.0	-72.81	400.11	1.13	-71.68
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC[NH+]2CCOCC2)C1	REAL300024474790	1	53	0.0	-73.68	425.01	0.85	-72.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024474798	0	53	0.0	-74.16	411.63	2.66	-71.50
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2CC[N@H+](C)C2)C1	REAL300024474821	0	52	0.0	-77.35	416.32	2.41	-74.94
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2CC[N@@H+](C)C2)C1	REAL300024474821	1	52	0.0	-72.61	416.26	2.45	-70.16
CCC(C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024474827	0	51	0.0	-71.91	400.11	1.82	-70.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CCCC[NH+](C)C)C1	REAL300024474859	0	54	0.0	-72.60	435.10	2.98	-69.62
CC(C)C(C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024474872	0	54	0.0	-67.79	417.08	3.08	-64.71
CCC[N@H+](C)CCC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474873	0	54	0.0	-74.78	430.31	2.80	-71.98
CCC[N@@H+](C)CCC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474873	1	54	0.0	-71.66	431.33	2.80	-68.86
CCC[N@H+](C)CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474876	0	51	0.0	-75.25	409.10	2.22	-73.03
CCC[N@@H+](C)CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474876	1	51	0.0	-69.64	408.97	2.25	-67.39
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024474889	0	53	0.0	-82.80	410.71	2.13	-80.67
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024474889	1	53	0.0	-66.49	402.50	3.24	-63.25
CC1CC[NH+](CC(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024474914	0	55	0.0	-75.63	432.46	3.28	-72.35
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2(C[NH+](C)C)CC2)C1	REAL300024474951	0	52	0.0	-73.84	419.29	2.45	-71.39
CC[N@H+](C)CCC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474968	0	51	0.0	-70.94	409.84	2.06	-68.88
CC[N@@H+](C)CCC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474968	1	51	0.0	-76.44	409.97	2.02	-74.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024474980	0	53	0.0	-81.08	411.17	2.59	-78.49
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CC[NH+](C)CC2)C1	REAL300024475018	0	52	0.0	-79.00	414.43	2.46	-76.54
CC(C)[C@H](C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024475033	0	54	0.0	-73.00	419.54	2.87	-70.13
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2([NH+](C)C)CCC2)C1	REAL300024475096	0	52	0.0	-65.52	403.14	2.48	-63.04
CCC(C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024475123	0	57	0.0	-63.77	436.00	3.21	-60.56
CC1CCC[N@@H+]1CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475132	0	52	0.0	-69.78	405.67	2.05	-67.73
CC1CCC[N@H+]1CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475132	1	52	0.0	-70.50	412.29	2.46	-68.04
CC(C)[N@@H+]1CCCC1C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475159	0	55	0.0	-70.61	417.99	2.84	-67.77
CC(C)[N@H+]1CCCC1C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475159	1	55	0.0	-64.72	428.44	2.98	-61.74
CC(C)[C@@H](C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024475166	0	54	0.0	-70.33	411.15	2.23	-68.10
CC1CC[N@H+](CC(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024475176	0	52	0.0	-64.63	407.77	3.80	-60.83
CC1CC[N@@H+](CC(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024475176	1	52	0.0	-68.75	415.76	2.58	-66.17
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300024475178	0	55	0.0	-74.70	435.22	3.04	-71.66
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300024475178	1	55	0.0	-72.47	431.97	2.92	-69.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300024475179	0	57	0.0	-69.11	439.87	3.42	-65.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300024475179	1	57	0.0	-75.24	437.71	3.21	-72.03
CC[C@@H](C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024475186	0	51	0.0	-72.02	400.52	1.80	-70.22
CC1=[NH+]C=CN1CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475266	1	47	0.0	-71.74	399.31	2.41	-69.33
CC[N@@H+]1CCOC(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024475309	1	53	0.0	-71.61	417.78	1.77	-69.84
CC[N@H+]1CCOC(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024475309	1	53	0.0	-69.61	417.80	1.77	-67.84
CC1=C[NH+]=CN1CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475329	1	47	0.0	-74.44	398.58	3.11	-71.33
C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024475334	0	52	0.0	-74.04	404.54	1.87	-72.17
C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024475334	1	52	0.0	-77.50	412.70	2.05	-75.45
CC[C@@H]1[C@@H](C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024475336	0	55	0.0	-75.92	426.93	2.48	-73.44
CC[C@@H]1[C@@H](C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024475336	1	55	0.0	-64.86	419.66	4.05	-60.81
CC1CCC(C)[NH+]1CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475341	0	55	0.0	-71.59	427.00	2.81	-68.78
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CCC[NH+]2CCCC2)C1	REAL300024475343	0	55	0.0	-70.67	439.57	3.38	-67.29
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC[NH+]2CCCCC2)C1	REAL300024475347	0	55	0.0	-75.89	433.87	3.23	-72.66
CC[N@@H+]1CCCCC1C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475350	0	55	0.0	-68.59	426.72	2.91	-65.68
CC[N@H+]1CCCCC1C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475350	1	55	0.0	-70.76	429.67	3.04	-67.72
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@H+](C)C2CCC2)C1	REAL300024475430	0	52	0.0	-73.23	416.11	2.79	-70.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@@H+](C)C2CCC2)C1	REAL300024475430	1	52	0.0	-67.52	415.88	2.83	-64.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CC[NH+](C)CC2)C1	REAL300024475454	0	52	0.0	-79.00	414.43	2.46	-76.54
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300024475476	0	49	0.0	-71.73	394.33	1.91	-69.82
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1	REAL300024475476	1	49	0.0	-74.32	389.91	1.35	-72.97
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475493	1	51	0.0	-66.98	416.32	2.63	-64.35
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475493	1	51	0.0	-63.17	414.92	4.39	-58.78
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CCC2CCC[N@@H+]2C)C1	REAL300024475498	0	55	0.0	-72.09	428.86	2.70	-69.39
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CCC2CCC[N@H+]2C)C1	REAL300024475498	1	55	0.0	-75.45	434.41	3.18	-72.27
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CCCC[N@@H+]2C)C1	REAL300024475561	0	52	0.0	-69.88	408.94	2.28	-67.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CCCC[N@H+]2C)C1	REAL300024475561	1	52	0.0	-72.48	402.52	2.24	-70.24
CC1C(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024475610	0	52	0.0	-75.27	416.40	2.21	-73.06
CC1C(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024475610	1	52	0.0	-65.87	400.45	3.33	-62.54
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300024475660	0	55	0.0	-69.74	412.65	1.87	-67.87
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300024475660	1	55	0.0	-67.02	413.63	2.43	-64.59
C[C@@H](C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024475673	0	48	0.0	-73.63	387.97	1.20	-72.43
C=CCC(C)(C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024475685	0	55	0.0	-76.79	421.62	2.61	-74.18
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC[NH+]2CCCC2)C1	REAL300024475697	0	52	0.0	-75.96	418.20	2.53	-73.43
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@H+](C)CCO)C1	REAL300024475705	1	49	0.0	-75.70	398.01	-1.77	-77.47
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@@H+](C)CCO)C1	REAL300024475705	1	49	0.0	-69.71	397.61	-1.73	-71.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2=CC[N@H+](C)CC2)C1	REAL300024475751	0	53	0.0	-70.51	428.88	3.17	-67.34
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300024475751	1	53	0.0	-71.85	429.06	3.13	-68.72
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300024475769	0	53	0.0	-77.23	414.53	-1.05	-78.28
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300024475769	1	53	0.0	-70.39	416.62	-0.83	-71.22
CC1C[NH+](CC(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024475795	1	49	0.0	-73.17	397.94	1.76	-71.41
CC[N@@H+]1CCCC(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024475801	0	55	0.0	-73.79	431.99	3.09	-70.70
CC[N@H+]1CCCC(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024475801	1	55	0.0	-73.69	432.18	3.08	-70.61
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024475812	0	53	0.0	-69.95	427.27	3.32	-66.63
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024475812	1	53	0.0	-69.74	422.41	3.17	-66.57
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C=CC[NH+]2CCCC2)C1	REAL300024475833	0	53	0.0	-72.89	432.03	3.27	-69.62
CC[N@H+](C)CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475870	0	48	0.0	-69.16	387.47	1.51	-67.65
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CN2CC3C=CC2C3)C1	REAL300024475899	0	51	0.0	-71.42	408.98	2.68	-68.74
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024475899	1	51	0.0	-67.51	409.13	2.82	-64.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024475899	1	51	0.0	-67.51	409.13	2.82	-64.69
COCCN(C)CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475974	0	52	0.0	-75.28	419.99	0.63	-74.65
COCC[N@H+](C)CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475974	1	52	0.0	-70.30	420.08	0.68	-69.62
COCC[N@@H+](C)CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024475974	1	52	0.0	-70.30	420.08	0.68	-69.62
CC(CCC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024475977	0	54	0.0	-71.81	423.09	2.58	-69.23
CC[N@H+](CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024475990	0	52	0.0	-66.60	415.79	2.86	-63.74
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300024476015	0	50	0.0	-68.73	401.63	2.05	-66.68
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024476022	0	53	0.0	-73.22	416.51	2.90	-70.32
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024476022	1	53	0.0	-73.22	416.51	2.90	-70.32
CC(C[NH+](C)C)C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024476035	0	51	0.0	-75.92	408.29	2.10	-73.82
CCN1CCC1C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024476063	0	49	0.0	-74.09	401.64	1.82	-72.27
CC[N@@H+]1CCC1C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024476063	1	49	0.0	-68.23	401.27	1.89	-66.34
CC[N@H+]1CCC1C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024476063	1	49	0.0	-68.23	401.27	1.89	-66.34
CCC(C)(C)[NH2+]C(C)C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024476069	0	57	0.0	-66.12	435.12	1.44	-64.68
CCCC(C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024476099	0	54	0.0	-74.02	423.99	2.71	-71.31
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C(C)(C)[NH+](C)C)C1	REAL300024476103	0	51	0.0	-78.13	397.64	1.91	-76.22
CC(CC[NH+](C)C)C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024476116	0	54	0.0	-71.61	429.77	2.75	-68.86
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300024476164	0	55	0.0	-66.95	435.45	3.08	-63.87
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300024476164	1	55	0.0	-71.29	435.85	2.93	-68.36
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CCCCC[NH+](C)C)C1	REAL300024476166	0	57	0.0	-72.33	456.60	3.76	-68.57
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CN2CC[NH+](C)CC2)C1	REAL300024476173	1	54	0.0	-71.19	428.75	0.35	-70.84
CC1C[N@H+](C)CC(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024476214	1	53	0.0	-85.07	421.74	1.96	-83.11
CC1C[N@@H+](C)CC(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024476214	1	53	0.0	-84.14	425.52	1.85	-82.29
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[NH+]2CC3CC3C2)C1	REAL300024476241	0	50	0.0	-69.31	405.07	2.72	-66.59
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CCCC[N@@H+]2C)C1	REAL300024476258	0	52	0.0	-69.88	408.94	2.28	-67.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CCCC[N@H+]2C)C1	REAL300024476258	1	52	0.0	-72.48	402.52	2.24	-70.24
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C=C2CC[N@H+](C)C2)C1	REAL300024476316	0	50	0.0	-73.90	407.64	2.44	-71.46
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C=C2CC[N@@H+](C)C2)C1	REAL300024476316	1	50	0.0	-75.81	404.87	2.23	-73.58
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024476318	0	48	0.0	-74.58	405.59	0.07	-74.51
CN(C(=O)CSC1=NC(=O)NN1)C1CC(NC(=O)CN=[N+]=[N-])C1	REAL300024476341	0	39	0.0	-23.06	346.72	-3.56	-26.62
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2([NH+](C)C)CCCC2)C1	REAL300024476368	0	55	0.0	-75.36	419.13	3.19	-72.17
CCC1C[NH+](CC(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024476375	1	52	0.0	-74.12	419.58	2.57	-71.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300024476384	0	49	0.0	-68.77	389.70	1.40	-67.37
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300024476384	1	49	0.0	-71.85	396.27	1.88	-69.97
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300024476462	0	52	0.0	-70.02	419.35	2.56	-67.46
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2(CC[NH+](C)C)CC2)C1	REAL300024476470	0	55	0.0	-76.88	441.76	3.22	-73.66
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2CC=CC[N@@H+]2C)C1	REAL300024476471	0	53	0.0	-67.58	413.37	2.70	-64.88
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2CC=CC[N@H+]2C)C1	REAL300024476471	1	53	0.0	-68.91	416.13	2.78	-66.13
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)COCC[NH+](C)C)C1	REAL300024476499	0	52	0.0	-70.29	425.61	1.90	-68.39
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CN2C=CSC2=[NH2+])C1	REAL300024476523	0	45	0.0	-71.34	396.94	0.98	-70.36
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CCC[N@H+](C)C2)C1	REAL300024476579	0	52	0.0	-70.23	414.28	2.47	-67.76
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2CCC[N@@H+](C)C2)C1	REAL300024476579	1	52	0.0	-70.23	414.28	2.47	-67.76
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[NH+]2CCCCCC2)C1	REAL300024476580	0	55	0.0	-68.97	420.70	2.90	-66.07
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N+]2=CN(C)C=C2)C1	REAL300024476583	0	47	0.0	-72.84	401.10	4.31	-68.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CN2CCC(O)CC2)C1	REAL300024476602	0	53	0.0	-79.86	422.69	-0.68	-80.54
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[NH+]2CCC(O)CC2)C1	REAL300024476602	1	53	0.0	-79.86	422.69	-0.68	-80.54
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@H+](C)C2CC2)C1	REAL300024476603	0	49	0.0	-66.83	399.05	2.25	-64.58
CC(CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024476621	0	54	0.0	-73.02	426.88	2.82	-70.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2COCCN2C)C1	REAL300024476638	0	53	0.0	-71.41	413.00	0.48	-70.93
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2COCC[N@@H+]2C)C1	REAL300024476638	1	53	0.0	-81.11	420.53	0.61	-80.50
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2COCC[N@H+]2C)C1	REAL300024476638	1	53	0.0	-81.11	420.53	0.61	-80.50
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300024476699	0	53	0.0	-72.30	423.01	-0.91	-73.21
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2C[NH+](C)C2)C1	REAL300024476720	0	49	0.0	-75.70	401.32	1.62	-74.08
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC[N@H+](C)CCO)C1	REAL300024476743	0	52	0.0	-73.66	419.25	-1.15	-74.81
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC[N@@H+](C)CCO)C1	REAL300024476743	1	52	0.0	-73.66	419.25	-1.15	-74.81
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2CCCC[N@@H+]2C)C1	REAL300024476758	0	55	0.0	-75.19	426.21	2.87	-72.32
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2CCCC[N@H+]2C)C1	REAL300024476758	1	55	0.0	-75.19	426.21	2.87	-72.32
CC1CCN1CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024476770	0	49	0.0	-72.94	395.69	1.62	-71.32
CC1CC[N@@H+]1CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024476770	1	49	0.0	-68.30	401.02	1.93	-66.37
CC1CC[N@H+]1CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024476770	1	49	0.0	-68.30	401.02	1.93	-66.37
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C=CC[NH+](C)C)C1	REAL300024476776	0	49	0.0	-78.81	405.83	2.02	-76.79
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CN2CC(C)(C)C2)C1	REAL300024476781	0	52	0.0	-75.39	420.27	2.37	-73.02
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[NH+]2CC(C)(C)C2)C1	REAL300024476781	1	52	0.0	-75.39	420.27	2.37	-73.02
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[N@@H+]2CCCC2CO)C1	REAL300024476815	0	53	0.0	-64.51	412.37	0.17	-64.34
CC[NH+](CC)CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024476817	0	51	0.0	-67.83	401.33	1.93	-65.90
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CN2CCC2)C1	REAL300024476826	0	46	0.0	-69.61	380.02	1.33	-68.28
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C[NH+]2CCC2)C1	REAL300024476826	1	46	0.0	-69.61	380.02	1.33	-68.28
CC[NH+](CC)CCC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024476854	0	54	0.0	-70.29	423.34	2.49	-67.80
CC(C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300024476904	0	49	0.0	-66.93	397.48	1.89	-65.04
CC(C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024476904	1	49	0.0	-66.93	397.48	1.89	-65.04
CCC(CC(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024476909	0	57	0.0	-74.33	444.68	3.45	-70.88
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C(C)(C)C[NH+](C)C)C1	REAL300024476914	0	54	0.0	-75.06	417.07	2.47	-72.59
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300024476943	0	52	0.0	-67.16	401.86	2.29	-64.87
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC(O)C[NH+](C)C)C1	REAL300024476962	0	52	0.0	-74.56	422.35	-0.12	-74.68
C=CCC(C(=O)NC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024476982	0	52	0.0	-71.65	413.54	2.29	-69.36
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2(C)CC[NH+](C)CC2)C1	REAL300024476993	0	55	0.0	-73.97	427.20	2.87	-71.10
CN(C(=O)CSC(N)=[NH2+])C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024477014	0	43	0.0	-75.40	378.31	-2.27	-77.67
CN(C(=O)C1(CC[NH+](C)C)CC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024477037	0	55	0.0	-71.40	439.14	3.00	-68.40
CN(C(=O)CC1CC=CC[N@@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024477038	0	53	0.0	-76.28	420.72	2.87	-73.41
CN(C(=O)CC1CC=CC[N@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024477038	1	53	0.0	-76.28	420.72	2.87	-73.41
CCC1C[NH+](CC(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024477119	0	52	0.0	-70.14	419.64	2.45	-67.69
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024477124	0	49	0.0	-72.90	389.02	1.26	-71.64
CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024477124	1	49	0.0	-70.68	390.62	1.52	-69.16
CN(C(=O)C[NH+]1CCCCC1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024477141	0	52	0.0	-72.89	411.65	2.60	-70.29
CC1C(C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024477146	0	52	0.0	-64.32	404.44	3.45	-60.87
CC1C(C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024477146	1	52	0.0	-72.54	410.27	1.88	-70.66
CN(C(=O)CC1COCC[N@@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024477174	1	53	0.0	-66.68	410.07	0.30	-66.38
CN(C(=O)CC1COCC[N@H+]1C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024477174	1	53	0.0	-70.64	412.99	0.43	-70.21
CCOCC(N=[N+]=[N-])C(=O)N(C)C1CC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024477181	0	49	0.0	-23.49	418.15	-2.89	-26.38
C[NH+](C)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024477324	0	52	0.0	-73.08	402.55	2.76	-70.32
C[C@@H](C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1)[NH+](C)C	REAL300024477329	0	55	0.0	-66.13	425.22	3.31	-62.82
[N-]=[N+]=NCC(=O)NC1(C2CCN(C(=O)CSC3=NC(=O)NN3)CC2)CC1	REAL300024477332	0	46	0.0	-24.42	379.52	-1.63	-26.05
C[C@@H](C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1)[NH+](C)C	REAL300024477339	0	55	0.0	-66.13	425.22	3.31	-62.82
O=C(C[NH+]1CCC1)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024477346	1	53	0.0	-67.96	417.41	3.39	-64.57
C[C@H](C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1)[NH+](C)C	REAL300024477351	0	55	0.0	-66.61	425.24	3.33	-63.28
CC[N@H+](C)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024477360	0	55	0.0	-67.55	424.84	3.58	-63.97
CC[N@@H+](C)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024477360	1	55	0.0	-67.66	424.85	3.58	-64.08
C[C@@H](C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1)[NH+](C)C	REAL300024477498	0	55	0.0	-73.40	419.27	3.06	-70.34
CC[N@H+](C)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024477517	0	55	0.0	-72.85	424.84	3.47	-69.38
CC[N@@H+](C)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024477517	1	55	0.0	-74.84	420.28	3.33	-71.51
C[C@H](C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1)[NH+](C)C	REAL300024477530	0	55	0.0	-70.55	423.11	3.13	-67.42
[N-]=[N+]=NCC(=O)N1CCC(C2(NC(=O)CSC3=NC(=O)NN3)CC2)CC1	REAL300024477555	0	46	0.0	-25.05	379.54	-1.76	-26.81
C[NH+](C)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024477586	0	52	0.0	-73.60	407.10	2.81	-70.79
C[C@@H](C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1)[NH+](C)C	REAL300024477589	0	55	0.0	-73.40	419.27	3.06	-70.34
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCN(C(=O)C[NH+]3CCC3)CC2)CC1	REAL300024477596	1	53	0.0	-75.31	412.65	3.08	-72.23
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024477774	0	52	0.0	-67.40	420.94	1.15	-66.25
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024477774	1	52	0.0	-65.38	428.07	0.77	-64.61
CC1=[NH+]C=CN1CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024477903	1	50	0.0	-65.76	432.61	1.53	-64.23
CC1=C[NH+]=CN1CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024477969	1	50	0.0	-68.11	430.68	2.31	-65.80
CCC(C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024477978	0	54	0.0	-66.68	434.11	1.04	-65.64
CCC[N@H+](C)CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024477991	0	54	0.0	-66.59	440.96	1.74	-64.85
CCC[N@@H+](C)CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024477991	1	54	0.0	-68.14	441.20	1.41	-66.73
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024478002	0	52	0.0	-65.85	424.09	0.86	-64.99
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024478002	1	52	0.0	-66.10	420.46	1.18	-64.92
CC[NH+](CC)CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024478012	0	54	0.0	-66.39	434.76	1.00	-65.39
CC[N@H+](C)CCC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024478108	0	54	0.0	-70.28	442.07	1.28	-69.00
CC[N@@H+](C)CCC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024478108	1	54	0.0	-70.43	443.27	1.18	-69.25
CC[C@@H](C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024478114	0	54	0.0	-66.66	434.11	1.04	-65.62
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024478143	0	48	0.0	-66.57	401.98	0.36	-66.21
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024478144	0	50	0.0	-66.52	433.20	3.52	-63.00
CC(C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024478152	1	52	0.0	-73.32	422.43	0.63	-72.69
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024478160	0	52	0.0	-65.47	431.24	1.41	-64.06
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024478160	1	52	0.0	-65.45	431.24	1.42	-64.03
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024478169	0	52	0.0	-68.19	433.42	1.24	-66.95
C[C@@H](C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024478178	0	51	0.0	-66.83	418.51	0.40	-66.43
CN(CCOCCNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024478184	0	42	0.0	-25.30	378.93	-3.99	-29.29
C[C@@H](C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024478209	0	51	0.0	-66.83	418.51	0.40	-66.43
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024478235	1	49	0.0	-68.45	413.27	0.34	-68.11
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024478242	0	53	0.0	-73.68	441.20	1.49	-72.19
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024478242	1	53	0.0	-69.88	439.04	1.96	-67.92
C[C@H](C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024478256	0	51	0.0	-66.80	418.67	0.35	-66.45
CC1C[NH+](CC(=O)N(C)CCOCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024478268	1	52	0.0	-68.22	434.44	1.01	-67.21
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024478279	1	52	0.0	-68.70	431.25	-2.64	-71.34
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024478279	1	52	0.0	-67.21	429.60	-2.25	-69.46
CC[N@H+](C)CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024478291	0	51	0.0	-67.70	419.70	0.67	-67.03
CC[N@@H+](C)CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024478291	1	51	0.0	-67.76	419.70	0.68	-67.08
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024478315	0	52	0.0	-73.68	438.32	1.17	-72.51
CC[N@@H+]1CCC1C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024478328	1	52	0.0	-67.40	433.30	0.81	-66.59
CC[N@H+]1CCC1C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024478328	1	52	0.0	-67.37	432.11	0.88	-66.49
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024478348	0	53	0.0	-67.69	437.32	1.88	-65.81
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024478353	0	54	0.0	-73.01	422.13	1.18	-71.83
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300024478388	0	52	0.0	-72.71	423.02	1.37	-71.34
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024478397	0	53	0.0	-74.37	427.36	1.95	-72.42
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C	REAL300024478397	1	53	0.0	-68.03	430.28	0.91	-67.12
CC(C[NH+](C)C)C(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024478428	0	54	0.0	-65.67	436.40	1.05	-64.62
CC1CC[N@@H+]1CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024478444	1	52	0.0	-65.77	433.27	1.46	-64.31
CC1CC[N@H+]1CC(=O)N(C)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024478444	1	52	0.0	-64.63	427.75	1.20	-63.43
CN(CCOCCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024478609	0	52	0.0	-72.07	421.97	0.63	-71.44
CN(CCOCCNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024478609	1	52	0.0	-70.93	421.92	0.63	-70.30
CCC(C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024478753	0	54	0.0	-69.84	432.39	1.08	-68.76
CCC[N@H+](C)CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024478762	0	54	0.0	-72.34	441.21	1.49	-70.85
CCC[N@@H+](C)CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024478762	1	54	0.0	-72.50	442.40	1.40	-71.10
CC[N@H+](C)CCC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024478794	0	54	0.0	-74.43	443.27	1.22	-73.21
CC[N@@H+](C)CCC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024478794	1	54	0.0	-74.26	442.07	1.29	-72.97
CC[C@@H](C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024478871	0	54	0.0	-70.81	437.42	1.60	-69.21
CC1=[NH+]C=CN1CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024478902	1	50	0.0	-69.00	431.40	1.69	-67.31
CC1=C[NH+]=CN1CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024478918	1	50	0.0	-72.47	431.89	2.30	-70.17
CN(CCOCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024478953	0	52	0.0	-61.31	428.32	1.53	-59.78
CN(CCOCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024478953	1	52	0.0	-71.03	421.97	0.63	-70.40
C[C@@H](C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024479047	0	51	0.0	-71.20	421.07	0.41	-70.79
CN(CCOCCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479065	1	52	0.0	-73.04	430.06	-2.49	-75.53
CN(CCOCCNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479065	1	52	0.0	-72.56	429.84	-2.49	-75.05
CC1C[NH+](CC(=O)NCCOCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024479099	1	52	0.0	-72.58	434.45	1.09	-71.49
CC[N@H+](C)CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479127	0	51	0.0	-72.05	420.91	0.66	-71.39
CC[N@@H+](C)CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479127	1	51	0.0	-72.06	420.91	0.66	-71.40
CN(CCOCCNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479178	0	53	0.0	-75.64	432.81	1.19	-74.45
CN(CCOCCNC(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479178	1	53	0.0	-75.49	434.02	1.28	-74.21
CC(C[NH+](C)C)C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479186	0	54	0.0	-67.30	440.17	1.45	-65.85
CN(CCOCCNC(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479191	0	52	0.0	-76.80	424.41	1.79	-75.01
C[C@H](C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024479200	0	51	0.0	-70.73	421.31	0.42	-70.31
CC[N@@H+]1CCC1C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479203	1	52	0.0	-69.93	426.77	0.80	-69.13
CC[N@H+]1CCC1C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479203	1	52	0.0	-71.65	434.81	1.02	-70.63
CN(CCOCCNC(=O)C1=C[NH+]=CC=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479213	0	48	0.0	-74.50	411.29	-1.51	-76.01
CN(CCOCCNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479218	0	54	0.0	-75.91	429.44	1.25	-74.66
CN(CCOCCNC(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479271	0	53	0.0	-72.59	438.52	1.88	-70.71
CN(CCOCCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479293	0	53	0.0	-76.27	442.02	1.54	-74.73
CN(CCOCCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479293	1	53	0.0	-76.57	441.07	1.56	-75.01
CN(CCOCCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024479299	0	42	0.0	-24.10	378.95	-4.33	-28.43
CN(CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479314	0	52	0.0	-67.09	421.94	1.03	-66.06
CN(CCOCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479314	1	52	0.0	-63.19	428.28	1.55	-61.64
CN(CCOCCNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479374	0	50	0.0	-70.10	434.41	3.51	-66.59
CN(CCOCCNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479382	0	52	0.0	-70.11	432.58	1.40	-68.71
CN(CCOCCNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479382	1	52	0.0	-69.97	432.58	1.40	-68.57
CN(CCOCCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479425	0	52	0.0	-74.04	433.41	0.90	-73.14
CN(CCOCCNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479430	0	48	0.0	-72.57	401.98	0.08	-72.49
C[C@@H](C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024479436	0	51	0.0	-71.20	421.07	0.41	-70.79
CC1CC[N@@H+]1CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479449	1	52	0.0	-62.16	427.77	1.29	-60.87
CC1CC[N@H+]1CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479449	1	52	0.0	-71.33	433.31	1.16	-70.17
CN(CCOCCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479450	0	52	0.0	-77.35	437.94	1.29	-76.06
CC[NH+](CC)CC(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479463	0	54	0.0	-70.62	433.56	1.16	-69.46
CN(CCOCCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479468	1	49	0.0	-72.58	412.07	0.50	-72.08
CC(C(=O)NCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024479503	1	52	0.0	-70.74	433.18	0.93	-69.81
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300024479554	0	46	0.0	-71.08	409.90	-2.59	-73.67
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024479601	0	52	0.0	-67.29	420.92	1.14	-66.15
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024479601	1	52	0.0	-65.37	428.08	0.77	-64.60
C[N@@H+]1CCCC1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024479800	0	50	0.0	-70.41	407.87	2.52	-67.89
C[N@H+]1CCCC1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024479800	1	50	0.0	-72.62	401.55	2.00	-70.62
C[N@@H+]1CCOC(C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024479824	1	51	0.0	-77.11	411.85	1.75	-75.36
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C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024479982	0	53	0.0	-76.93	418.16	2.43	-74.50
C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024479982	1	53	0.0	-75.69	424.41	2.71	-72.98
C[NH+](C)C1(C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024480003	0	53	0.0	-76.82	417.26	2.83	-73.99
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C[N@H+](CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024480015	0	53	0.0	-71.42	427.77	3.44	-67.98
C[N@@H+](CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024480015	1	53	0.0	-71.71	427.67	3.44	-68.27
C[NH+]1CCC(C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024480041	0	53	0.0	-77.62	426.13	3.11	-74.51
C[N@@H+]1CCCCC1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480047	0	53	0.0	-70.15	423.50	3.05	-67.10
C[N@H+]1CCCCC1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480047	1	53	0.0	-70.17	423.52	3.05	-67.12
CC1=C[NH+]=CN1CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480064	1	48	0.0	-72.86	411.32	3.80	-69.06
C[N@@H+]1CCC(CC(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480074	0	53	0.0	-76.30	428.09	3.05	-73.25
C[N@H+]1CCC(CC(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480074	1	53	0.0	-75.17	427.72	3.07	-72.10
CCC(C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024480077	0	52	0.0	-70.72	411.95	2.45	-68.27
C[NH+](C)CCCCC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480091	0	55	0.0	-75.99	446.90	3.59	-72.40
CC(C)C(C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024480095	0	55	0.0	-71.41	425.87	2.97	-68.44
CCC[N@H+](C)CCC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480096	0	55	0.0	-75.78	443.14	3.41	-72.37
CCC[N@@H+](C)CCC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480096	1	55	0.0	-75.77	443.13	3.41	-72.36
CCC[N@H+](C)CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480097	0	52	0.0	-73.62	420.78	2.87	-70.75
CCC[N@@H+](C)CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480097	1	52	0.0	-73.59	420.77	2.87	-70.72
C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480112	0	50	0.0	-72.58	401.64	2.02	-70.56
C[N@H+]1CCC[C@@H]1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480112	1	50	0.0	-69.84	407.23	2.41	-67.43
CC[NH+](CC)CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480124	0	52	0.0	-71.77	413.13	2.54	-69.23
C[NH+](C)CC1(C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024480178	0	53	0.0	-75.75	432.19	3.18	-72.57
C[NH+]1CCC(C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024480202	0	53	0.0	-77.62	426.13	3.11	-74.51
CC(C)[C@H](C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024480217	0	55	0.0	-71.58	430.61	3.72	-67.86
CC[N@H+](C)CCC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480245	0	52	0.0	-75.03	421.64	2.66	-72.37
CC[N@@H+](C)CCC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480245	1	52	0.0	-75.00	421.64	2.66	-72.34
CC1CCC[N@@H+]1CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480256	0	53	0.0	-70.14	420.28	2.86	-67.28
CC1CCC[N@H+]1CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480256	1	53	0.0	-70.08	420.26	2.85	-67.23
CC1CC[N@H+](CC(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480257	0	53	0.0	-72.96	426.78	3.19	-69.77
CC1CC[N@@H+](CC(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480257	1	53	0.0	-72.63	426.89	3.14	-69.49
CC[C@@H](C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024480259	0	52	0.0	-70.44	411.79	2.48	-67.96
C[NH+](C)CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480296	0	46	0.0	-73.92	381.54	1.46	-72.46
CN1C=C[N+](CC(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024480297	0	48	0.0	-71.31	412.79	4.97	-66.34
C[N@@H+]1CCCC(C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480300	0	53	0.0	-67.55	419.87	3.28	-64.27
C[N@H+]1CCCC(C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480300	1	53	0.0	-67.45	419.87	3.28	-64.17
CC(C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024480308	1	50	0.0	-70.88	409.75	2.51	-68.37
C[NH+](C)CC(C)(C)C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480311	0	55	0.0	-71.80	430.68	3.32	-68.48
C[N@H+](CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024480318	0	50	0.0	-70.62	410.81	2.86	-67.76
C[N@@H+](CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024480318	1	50	0.0	-71.19	410.94	2.87	-68.32
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C[C@@H](C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024480341	0	49	0.0	-71.86	399.45	1.87	-69.99
[N-]=[N+]=NCC(=O)NCC1=CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024480348	0	40	0.0	-24.44	358.51	-2.95	-27.39
C[N@H+](CCO)CCC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480380	0	53	0.0	-74.81	431.99	-0.55	-75.36
C[N@@H+](CCO)CCC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480380	1	53	0.0	-74.46	431.94	-0.54	-75.00
C[C@@H](C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024480381	0	49	0.0	-71.86	399.45	1.87	-69.99
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480384	0	53	0.0	-71.08	414.21	2.88	-68.20
C[N@H+]1CCCC[C@@H]1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480384	1	53	0.0	-70.14	423.50	3.05	-67.09
O=C(C[NH+]1CCC1)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480411	1	47	0.0	-73.73	391.64	1.88	-71.85
C[N@@H+]1CCC(=CC(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480421	0	51	0.0	-77.00	419.45	3.01	-73.99
C[N@H+]1CCC(=CC(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480421	1	51	0.0	-76.79	420.41	2.99	-73.80
C[NH+](C)CCOCC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480431	0	53	0.0	-73.60	437.41	2.53	-71.07
C[C@H](C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024480442	0	49	0.0	-71.95	399.72	1.86	-70.09
CC1C[NH+](CC(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480459	1	50	0.0	-73.58	412.82	2.55	-71.03
C[N@H+](CCO)CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480472	1	50	0.0	-74.10	409.63	-1.11	-75.21
C[N@@H+](CCO)CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480472	1	50	0.0	-73.83	409.41	-1.11	-74.94
CC(CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024480484	0	55	0.0	-75.32	438.73	3.46	-71.86
CC[N@H+](C)CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480486	0	49	0.0	-73.20	399.28	2.12	-71.08
CC[N@@H+](C)CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480486	1	49	0.0	-73.13	399.28	2.12	-71.01
CC[N@H+](CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024480496	0	53	0.0	-70.18	430.74	3.52	-66.66
CC[N@@H+](CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024480496	1	53	0.0	-70.60	427.59	3.48	-67.12
CC[NH+](CC)CCC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480502	0	55	0.0	-74.36	435.14	3.10	-71.26
CC1(C)C[NH+](CC(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480510	1	53	0.0	-73.75	431.97	3.03	-70.72
C[NH+](C)CC=CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480517	0	50	0.0	-77.58	417.50	2.66	-74.92
COCC[N@H+](C)CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480526	1	53	0.0	-73.67	431.66	1.29	-72.38
COCC[N@@H+](C)CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480526	1	53	0.0	-74.40	431.88	1.29	-73.11
CC(CCC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024480535	0	55	0.0	-73.46	438.90	3.21	-70.25
CC[N@@H+]1CCC1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480539	1	50	0.0	-71.24	406.35	2.19	-69.05
CC[N@H+]1CCC1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480539	1	50	0.0	-72.49	413.17	2.48	-70.01
C=CCC(C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024480564	0	53	0.0	-71.19	425.25	2.97	-68.22
O=C(C[NH+]1CC2CC2C1)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480572	0	51	0.0	-73.58	416.88	3.34	-70.24
CCCC(C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024480578	0	55	0.0	-71.86	433.57	3.22	-68.64
C[NH+](C)C(C)(C)C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480580	0	52	0.0	-76.45	409.00	2.62	-73.83
C[N@@H+]1CCCCC1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480590	0	53	0.0	-70.15	423.50	3.05	-67.10
C[N@H+]1CCCCC1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480590	1	53	0.0	-70.17	423.52	3.05	-67.12
C[NH+](C)C1(C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024480627	0	50	0.0	-77.28	402.47	2.90	-74.38
O=C(CC[NH+]1CCCC1)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480628	0	53	0.0	-74.44	429.87	3.19	-71.25
C[N@@H+]1CC2CC1(C(=O)NCC1=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024480638	0	51	0.0	-75.84	413.79	2.60	-73.24
C[N@H+]1CC2CC1(C(=O)NCC1=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024480638	1	51	0.0	-76.12	411.70	2.81	-73.31
CC(C[NH+](C)C)C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480674	0	52	0.0	-68.98	419.74	2.82	-66.16
CC(C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024480697	0	53	0.0	-70.83	430.75	3.14	-67.69
CC1CC[N@@H+]1CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480698	1	50	0.0	-72.09	412.83	2.57	-69.52
CC1CC[N@H+]1CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480698	1	50	0.0	-72.29	412.89	2.54	-69.75
C[NH+](C)CC(O)CC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480700	0	53	0.0	-78.45	434.02	0.50	-77.95
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480730	0	53	0.0	-74.34	431.26	3.19	-71.15
CC(CC[NH+](C)C)C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480731	0	55	0.0	-74.81	441.58	3.35	-71.46
C[N@@H+]1CCCC1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480901	0	50	0.0	-72.97	400.33	1.90	-71.07
C[N@H+]1CCCC1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024480901	1	50	0.0	-72.24	400.28	1.90	-70.34
C[N@@H+]1CCOC(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480927	1	51	0.0	-86.03	414.28	1.63	-84.40
C[N@H+]1CCOC(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024480927	1	51	0.0	-78.50	407.28	1.44	-77.06
C[N@@H+]1CCC(CC(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024481077	0	53	0.0	-76.66	428.05	3.02	-73.64
C[N@H+]1CCC(CC(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024481077	1	53	0.0	-75.86	428.24	3.03	-72.83
CCC(C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024481080	0	52	0.0	-70.00	408.92	2.24	-67.76
C[NH+](C)CCCCC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481090	0	55	0.0	-76.43	446.94	3.57	-72.86
CC(C)C(C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024481095	0	55	0.0	-71.55	424.46	3.06	-68.49
CCC[N@H+](C)CCC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481096	0	55	0.0	-76.60	443.15	3.39	-73.21
CCC[N@@H+](C)CCC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481096	1	55	0.0	-76.72	443.18	3.41	-73.31
CCC[N@H+](C)CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481097	0	52	0.0	-74.14	420.77	2.79	-71.35
CCC[N@@H+](C)CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481097	1	52	0.0	-74.13	420.77	2.79	-71.34
C[NH+](C)CC1(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024481136	0	53	0.0	-75.49	429.47	2.90	-72.59
CC[N@H+](C)CCC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481142	0	52	0.0	-75.82	421.65	2.65	-73.17
CC[N@@H+](C)CCC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481142	1	52	0.0	-75.92	421.64	2.65	-73.27
C[NH+]1CCC(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024481166	0	53	0.0	-79.05	421.57	2.76	-76.29
CC(C)[C@H](C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024481181	0	55	0.0	-72.87	425.76	2.97	-69.90
C[NH+](C)C1(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024481205	0	53	0.0	-73.48	409.57	2.33	-71.15
CC1CCC[N@@H+]1CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481230	0	53	0.0	-70.48	420.26	2.75	-67.73
CC1CCC[N@H+]1CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481230	1	53	0.0	-71.06	426.71	3.15	-67.91
CC(C)[C@@H](C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024481241	0	55	0.0	-71.55	424.19	3.08	-68.47
CC1CC[N@H+](CC(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024481249	0	53	0.0	-73.05	426.90	3.06	-69.99
CC1CC[N@@H+](CC(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024481249	1	53	0.0	-73.43	426.87	3.13	-70.30
CC[C@@H](C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024481251	0	52	0.0	-69.96	408.40	2.27	-67.69
CC1=[NH+]C=CN1CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481290	1	48	0.0	-70.71	410.96	2.97	-67.74
CC1=C[NH+]=CN1CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481308	1	48	0.0	-72.83	411.30	3.71	-69.12
C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024481309	0	53	0.0	-75.00	417.67	2.70	-72.30
C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024481309	1	53	0.0	-74.11	422.29	2.95	-71.16
C[N@H+](CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024481341	0	53	0.0	-71.86	427.64	3.36	-68.50
C[N@@H+](CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024481341	1	53	0.0	-71.97	427.78	3.37	-68.60
C[NH+]1CCC(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024481348	0	53	0.0	-79.05	421.57	2.76	-76.29
C[N@@H+]1CCC[C@@H]1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481361	0	50	0.0	-73.01	400.29	1.91	-71.10
C[N@H+]1CCC[C@@H]1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481361	1	50	0.0	-70.65	406.44	2.25	-68.40
C[N@@H+]1CCCCC1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481404	0	53	0.0	-74.01	414.22	2.63	-71.38
C[N@H+]1CCCCC1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481404	1	53	0.0	-70.63	421.12	2.89	-67.74
CC1C(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024481433	0	53	0.0	-77.03	423.59	2.65	-74.38
CC1C(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024481433	1	53	0.0	-72.60	423.31	2.74	-69.86
C[C@@H](C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024481474	0	49	0.0	-71.63	397.30	1.74	-69.89
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300024481492	0	53	0.0	-75.33	429.91	3.16	-72.17
C[N@H+](CCO)CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481497	1	50	0.0	-74.53	409.62	-1.18	-75.71
C[N@@H+](CCO)CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481497	1	50	0.0	-74.48	409.42	-1.17	-75.65
CC1C[NH+](CC(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024481543	0	50	0.0	-74.15	412.85	2.45	-71.70
CC[N@H+](C)CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481577	0	49	0.0	-73.76	399.31	2.06	-71.70
CC[N@@H+](C)CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481577	1	49	0.0	-73.69	399.27	2.05	-71.64
COCC[N@H+](C)CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481630	1	53	0.0	-74.32	431.68	1.24	-73.08
COCC[N@@H+](C)CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481630	1	53	0.0	-74.82	431.92	1.23	-73.59
CC(CCC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024481632	0	55	0.0	-74.14	438.93	3.18	-70.96
CC[N@H+](CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024481637	0	53	0.0	-70.26	430.18	3.41	-66.85
CC[N@@H+](CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024481637	1	53	0.0	-71.06	428.04	3.38	-67.68
C[N@@H+]1CC2CC1(C(=O)N1CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024481650	0	51	0.0	-75.26	408.23	2.49	-72.77
C[N@H+]1CC2CC1(C(=O)N1CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024481650	1	51	0.0	-73.46	408.71	2.30	-71.16
CC(C[NH+](C)C)C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481659	0	52	0.0	-75.27	415.51	2.35	-72.92
C[NH+](C)C1(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024481665	0	50	0.0	-74.20	404.12	1.90	-72.30
C[C@H](C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024481675	0	49	0.0	-72.27	396.60	1.68	-70.59
CC[N@@H+]1CCC1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481678	0	50	0.0	-73.29	412.75	2.36	-70.93
CC[N@H+]1CCC1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481678	1	50	0.0	-73.06	411.83	2.33	-70.73
NC1=CC=[NH+]C=C1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481693	0	46	0.0	-74.98	392.66	-0.71	-75.69
CCCC(C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024481697	0	55	0.0	-72.24	434.14	3.22	-69.02
C[NH+](C)C(C)(C)C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481700	0	52	0.0	-73.09	402.07	1.79	-71.30
CC(CC[NH+](C)C)C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481709	0	55	0.0	-75.13	437.14	2.96	-72.17
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300024481769	0	51	0.0	-74.07	417.01	3.26	-70.81
C[N@@H+]1CCCCC1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481779	0	53	0.0	-74.01	414.22	2.63	-71.38
C[N@H+]1CCCCC1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481779	1	53	0.0	-70.63	421.12	2.89	-67.74
C[N@@H+]1CCC(=CC(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024481807	0	51	0.0	-77.56	418.35	2.97	-74.59
C[N@H+]1CCC(=CC(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024481807	1	51	0.0	-77.59	418.32	2.97	-74.62
[N-]=[N+]=NCC(=O)N1CC=C(CNC(=O)CSC2=NC(=O)NN2)CC1	REAL300024481814	0	40	0.0	-25.10	358.52	-3.02	-28.12
CCC1C[NH+](CC(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024481830	0	53	0.0	-75.28	434.01	3.19	-72.09
C[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481835	0	50	0.0	-70.10	403.58	2.15	-67.95
C[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481835	1	50	0.0	-72.08	400.22	1.90	-70.18
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024481878	0	53	0.0	-74.13	430.31	3.10	-71.03
C[NH+](C)CCOCC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024481895	0	53	0.0	-74.31	437.45	2.52	-71.79
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300024481929	0	53	0.0	-73.59	423.28	3.24	-70.35
C[N@@H+]1CCCC(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024481930	0	53	0.0	-75.57	425.25	2.90	-72.67
C[N@H+]1CCCC(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024481930	1	53	0.0	-66.91	416.60	3.06	-63.85
CN1C=C[N+](CC(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024481931	0	48	0.0	-71.40	412.81	4.90	-66.50
C[N@H+](CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024481941	0	50	0.0	-70.93	410.84	2.81	-68.12
C[N@@H+](CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024481941	1	50	0.0	-71.54	410.95	2.79	-68.75
CC(CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024481949	0	55	0.0	-76.05	438.59	3.45	-72.60
C[NH+]1CC(CC(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024481999	0	50	0.0	-74.92	412.86	2.26	-72.66
C[NH+](C)CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482006	0	46	0.0	-74.47	381.58	1.39	-73.08
C[N@H+](CCO)CCC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482016	0	53	0.0	-75.72	432.03	-0.56	-76.28
C[N@@H+](CCO)CCC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482016	1	53	0.0	-75.08	431.98	-0.59	-75.67
C[C@@H](C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024482017	0	49	0.0	-71.63	397.30	1.74	-69.89
CC(C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024482031	0	53	0.0	-71.48	424.94	2.81	-68.67
CC1CC[N@@H+]1CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482032	0	50	0.0	-72.97	412.86	2.44	-70.53
CC1CC[N@H+]1CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482032	1	50	0.0	-71.76	407.28	2.17	-69.59
C[NH+](C)CC=CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482034	0	50	0.0	-78.23	416.41	2.59	-75.64
CC1(C)C[NH+](CC(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024482038	1	53	0.0	-74.07	432.01	2.99	-71.08
CC[NH+](CC)CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482054	0	52	0.0	-72.32	417.66	2.72	-69.60
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024482059	1	47	0.0	-74.17	391.85	1.84	-72.33
CC[NH+](CC)CCC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482079	0	55	0.0	-74.85	439.54	3.35	-71.50
CC(C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024482108	0	50	0.0	-71.08	405.17	2.15	-68.93
C[NH+](C)CC(C)(C)C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482112	0	55	0.0	-74.52	422.62	2.48	-72.04
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482133	0	53	0.0	-74.02	414.21	2.64	-71.38
C[N@H+]1CCCC[C@@H]1C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482133	1	53	0.0	-70.58	421.11	2.90	-67.68
C[NH+](C)CC(O)CC(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482143	0	53	0.0	-79.18	434.27	0.42	-78.76
C=CCC(C(=O)N1CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024482155	0	53	0.0	-69.23	422.30	2.77	-66.46
NC(=[NH2+])SCC(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482178	0	44	0.0	-75.40	390.07	-1.67	-77.07
CCC1C[NH+](CC(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024482238	1	53	0.0	-74.41	434.21	3.31	-71.10
C[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482242	0	50	0.0	-70.45	407.44	2.48	-67.97
C[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482242	1	50	0.0	-72.59	401.56	2.00	-70.59
O=C(C[NH+]1CCCCC1)NCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024482249	0	53	0.0	-73.12	423.26	3.33	-69.79
CC1C(C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024482253	0	53	0.0	-74.96	419.11	2.68	-72.28
CC1C(C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024482253	1	53	0.0	-74.14	423.61	2.96	-71.18
C[NH+](C)CC(=O)NCC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024482335	0	48	0.0	-72.61	417.60	1.42	-71.19
[N-]=[N+]=NCC(=O)NCC1=CC=C(CNC(=O)CSC2=NC(=O)NN2)C=C1F	REAL300024482340	1	42	0.0	-24.95	394.56	-2.98	-27.93
[N-]=[N+]=NCC(=O)NCC1=CC=C(CNC(=O)CSC2=NC(=O)NN2)C(F)=C1	REAL300024482404	1	42	0.0	-24.76	394.56	-2.97	-27.73
C[NH+](C)CC(=O)NCC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024482411	0	48	0.0	-73.87	417.70	1.42	-72.45
CC1CN(C(=O)C[NH+](C)C)CC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024482449	0	53	0.0	-73.65	420.68	1.96	-71.69
CC1CN(C(=O)CN=[N+]=[N-])CC2(CCN(C(=O)CSC3=NC(=O)NN3)C2)O1	REAL300024482454	0	47	0.0	-23.92	396.37	-2.43	-26.35
CC1CN(C(=O)CSC2=NC(=O)NN2)CC2(CCN(C(=O)CN=[N+]=[N-])C2)O1	REAL300024482513	0	47	0.0	-23.71	397.61	-2.39	-26.10
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CCN(C(=O)C[NH+](C)C)C2)O1	REAL300024482520	0	53	0.0	-69.60	420.64	2.03	-67.57
CC1CCC(NC(=O)C2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482695	0	52	0.0	-66.78	408.54	2.50	-64.28
CC1CCC(NC(=O)C2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482695	1	52	0.0	-68.37	396.40	3.11	-65.26
CC1CCC(NC(=O)C2C[N@H+](C)CCO2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482719	1	53	0.0	-78.85	412.33	1.84	-77.01
CC1CCC(NC(=O)C2C[N@@H+](C)CCO2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482719	1	53	0.0	-60.13	409.91	2.44	-57.69
CC1=[NH+]C=CN1CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024482858	1	50	0.0	-56.84	407.96	3.36	-53.48
C[C@@H]1[C@H](C(=O)NC2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024482876	0	55	0.0	-55.79	407.27	2.66	-53.13
C[C@@H]1[C@H](C(=O)NC2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024482876	1	55	0.0	-70.93	424.46	2.93	-68.00
CC1CCC(NC(=O)C2([NH+](C)C)CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482896	0	55	0.0	-63.33	408.71	3.22	-60.11
CC(C)[C@@H](C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024482898	0	57	0.0	-51.02	423.77	3.29	-47.73
CC1CCC(NC(=O)C[N@H+](C)C2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482907	0	55	0.0	-68.97	428.28	3.52	-65.45
CC1CCC(NC(=O)C[N@@H+](C)C2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482907	1	55	0.0	-58.42	424.62	3.72	-54.70
CC1CCC(NC(=O)C2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482931	0	55	0.0	-76.15	426.63	3.20	-72.95
CC1CCC(NC(=O)C2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482937	0	55	0.0	-68.60	414.72	2.97	-65.63
CC1CCC(NC(=O)C2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482937	1	55	0.0	-68.65	414.67	2.96	-65.69
CC1=C[NH+]=CN1CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024482954	1	50	0.0	-69.99	411.81	3.87	-66.12
CC1CCC(NC(=O)CC2CC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482964	0	55	0.0	-71.68	428.28	3.13	-68.55
CC1CCC(NC(=O)CC2CC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482964	1	55	0.0	-73.45	428.58	3.13	-70.32
CCC(C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024482967	0	54	0.0	-67.56	415.71	3.15	-64.41
CC1CCC(NC(=O)CCCC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024482981	0	57	0.0	-62.98	443.89	3.88	-59.10
CC(C)C(C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024482984	0	57	0.0	-53.28	427.41	3.99	-49.29
CCC[N@H+](C)CCC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024482985	0	57	0.0	-60.96	440.12	3.69	-57.27
CCC[N@@H+](C)CCC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024482985	1	57	0.0	-60.98	440.13	3.70	-57.28
CCC[N@H+](C)CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024482986	0	54	0.0	-59.04	417.75	3.16	-55.88
CCC[N@@H+](C)CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024482986	1	54	0.0	-70.73	421.27	2.95	-67.78
CC1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483001	0	52	0.0	-66.91	407.22	2.58	-64.33
CC1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483001	1	52	0.0	-68.40	396.34	3.10	-65.30
CC[NH+](CC)CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483013	0	54	0.0	-69.07	417.77	2.87	-66.20
CC1CCC(NC(=O)C2(C[NH+](C)C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483067	0	55	0.0	-48.99	425.13	3.53	-45.46
CC1CCC(NC(=O)C2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483089	0	55	0.0	-76.15	426.63	3.20	-72.95
CC(C)[C@H](C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024483104	0	57	0.0	-58.30	414.70	3.50	-54.80
CC[N@H+](C)CCC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483131	0	54	0.0	-60.05	418.63	2.94	-57.11
CC[N@@H+](C)CCC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483131	1	54	0.0	-59.97	418.63	2.94	-57.03
CC1CCC[N@@H+]1CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483141	0	55	0.0	-68.68	427.44	3.31	-65.37
CC1CCC[N@H+]1CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483141	1	55	0.0	-55.46	417.22	3.11	-52.35
CC1CC[N@H+](CC(=O)NC2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024483142	0	55	0.0	-58.45	424.66	3.47	-54.98
CC1CC[N@@H+](CC(=O)NC2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024483142	1	55	0.0	-70.78	427.97	3.28	-67.50
CC[C@@H](C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024483144	0	54	0.0	-53.97	412.89	3.31	-50.66
CC1CCC(NC(=O)C[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483180	0	48	0.0	-70.70	382.04	1.53	-69.17
CC1CCC(NC(=O)C[N+]2=CN(C)C=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483181	0	50	0.0	-66.79	413.29	5.04	-61.75
CC1CCC(NC(=O)C2CCC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483184	0	55	0.0	-59.03	423.15	3.36	-55.67
CC1CCC(NC(=O)C2CCC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483184	1	55	0.0	-57.33	418.11	3.98	-53.35
CC(C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024483191	1	52	0.0	-55.54	406.29	2.78	-52.76
CC1CCC(NC(=O)C(C)(C)C[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483194	0	57	0.0	-70.82	431.99	3.28	-67.54
CC1CCC(NC(=O)C[N@H+](C)C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483201	0	52	0.0	-57.54	407.93	3.15	-54.39
CC1CCC(NC(=O)C[N@@H+](C)C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483201	1	52	0.0	-55.51	407.79	3.15	-52.36
CC1CCC(NC(=O)CC2C[NH+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483212	0	52	0.0	-70.18	413.48	2.34	-67.84
C[C@@H](C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024483224	0	51	0.0	-54.13	395.66	2.13	-52.00
CC1CCC(NC(=O)CN=[N+]=[N-])CN1C(=O)CSC1=NC(=O)NN1	REAL300024483231	0	42	0.0	-22.24	355.50	-2.66	-24.90
C[C@@H](C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024483262	0	51	0.0	-54.13	395.66	2.13	-52.00
CC1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483265	0	55	0.0	-50.01	419.17	3.31	-46.70
CC1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483265	1	55	0.0	-67.32	414.71	2.96	-64.36
CC1CCC(NC(=O)C[NH+]2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483292	1	49	0.0	-58.39	388.82	2.22	-56.17
CC1CCC(NC(=O)C=C2CC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483301	0	53	0.0	-59.03	417.41	3.26	-55.77
CC1CCC(NC(=O)C=C2CC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483301	1	53	0.0	-73.64	420.97	3.05	-70.59
C[C@H](C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024483319	0	51	0.0	-59.34	396.55	2.14	-57.20
CC1C[NH+](CC(=O)NC2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024483335	1	52	0.0	-58.58	408.60	2.90	-55.68
CC1CCC(NC(=O)C[N@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483348	1	52	0.0	-71.90	410.13	-1.04	-72.94
CC1CCC(NC(=O)C[N@@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483348	1	52	0.0	-58.75	406.50	-0.87	-59.62
CC(CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024483360	0	57	0.0	-78.27	438.91	3.52	-74.75
CC[N@H+](C)CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483362	0	51	0.0	-70.38	399.77	2.19	-68.19
CC[N@@H+](C)CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483362	1	51	0.0	-70.41	399.77	2.20	-68.21
CC[N@H+](CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024483372	0	55	0.0	-59.19	413.16	3.18	-56.01
CC[N@@H+](CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024483372	1	55	0.0	-68.19	427.76	3.52	-64.67
CC[NH+](CC)CCC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483378	0	57	0.0	-72.43	435.30	3.15	-69.28
CC1CCC(NC(=O)C=CC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483393	0	52	0.0	-65.33	415.75	2.99	-62.34
CC(CCC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024483410	0	57	0.0	-75.85	435.68	3.26	-72.59
CC[N@@H+]1CCC1C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483414	1	52	0.0	-55.56	400.53	2.51	-53.05
CC[N@H+]1CCC1C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483414	1	52	0.0	-69.55	406.74	2.18	-67.37
C=CCC(C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024483435	0	55	0.0	-59.30	421.56	3.20	-56.10
CC1CCC(NC(=O)C[NH+]2CC3CC3C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483443	0	53	0.0	-71.32	417.38	3.41	-67.91
CCCC(C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024483448	0	57	0.0	-68.10	437.20	3.91	-64.19
CC1CCC(NC(=O)C(C)(C)[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483450	0	54	0.0	-78.42	409.50	2.69	-75.73
CC1CCC(NC(=O)C2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483460	0	55	0.0	-68.60	414.72	2.97	-65.63
CC1CCC(NC(=O)C2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483460	1	55	0.0	-68.65	414.67	2.96	-65.69
CC1CCC(NC(=O)C2([NH+](C)C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483496	0	52	0.0	-60.07	395.03	2.78	-57.29
CC1CCC(NC(=O)CC[NH+]2CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483497	0	55	0.0	-61.59	425.24	3.34	-58.25
CC1CCC(NC(=O)C23CC(C2)C[N@@H+]3C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483507	0	53	0.0	-58.77	403.06	2.66	-56.11
CC1CCC(NC(=O)C23CC(C2)C[N@H+]3C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483507	1	53	0.0	-66.76	410.82	2.90	-63.86
CC(C[NH+](C)C)C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483542	0	54	0.0	-71.78	420.28	2.78	-69.00
CC(C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024483562	1	55	0.0	-57.19	427.48	3.44	-53.75
CC1CC[N@@H+]1CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483563	1	52	0.0	-56.51	404.34	2.56	-53.95
CC1CC[N@H+]1CC(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483563	1	52	0.0	-69.95	413.45	2.61	-67.34
CC1CCC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483594	0	55	0.0	-73.00	431.64	3.25	-69.75
CC(CC[NH+](C)C)C(=O)NC1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024483595	0	57	0.0	-61.55	438.57	3.63	-57.92
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@@H+]1C	REAL300024483764	0	52	0.0	-69.91	398.84	2.55	-67.36
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@H+]1C	REAL300024483764	1	52	0.0	-66.87	404.35	2.22	-64.65
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC[N@H+](C)C1	REAL300024483938	0	55	0.0	-69.12	426.31	3.67	-65.45
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC[N@@H+](C)C1	REAL300024483938	1	55	0.0	-70.15	427.04	3.63	-66.52
CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024483941	0	54	0.0	-65.63	407.45	2.92	-62.71
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCCC[NH+](C)C	REAL300024483950	0	57	0.0	-59.41	443.89	3.83	-55.58
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024483953	0	57	0.0	-57.78	440.12	3.67	-54.11
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024483953	1	57	0.0	-58.36	440.12	3.65	-54.71
CCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024483954	0	54	0.0	-70.60	419.41	3.43	-67.17
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024483954	1	54	0.0	-70.31	419.41	3.44	-66.87
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1(C[NH+](C)C)CC1	REAL300024483984	0	55	0.0	-70.48	422.80	3.72	-66.76
CC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024483989	0	54	0.0	-57.19	418.62	2.92	-54.27
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024483989	1	54	0.0	-57.17	418.63	2.92	-54.25
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[NH+](C)CC1	REAL300024484004	0	55	0.0	-71.27	423.30	2.86	-68.41
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484042	0	55	0.0	-67.73	425.56	3.81	-63.92
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484042	1	55	0.0	-67.82	427.21	3.20	-64.62
CC1CC[N@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CCC2C)C1	REAL300024484057	0	55	0.0	-68.90	426.36	3.74	-65.16
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CCC2C)C1	REAL300024484057	1	55	0.0	-68.85	425.78	3.76	-65.09
CC[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024484059	0	54	0.0	-66.73	401.92	3.22	-63.51
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484093	1	50	0.0	-55.77	407.95	3.24	-52.53
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484108	1	50	0.0	-54.77	408.28	3.97	-50.80
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CCC2C)CC[N@@H+]1C	REAL300024484109	0	55	0.0	-73.16	415.07	3.50	-69.66
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CCC2C)CC[N@H+]1C	REAL300024484109	1	55	0.0	-68.06	418.11	3.34	-64.72
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)C1CCC1	REAL300024484132	0	55	0.0	-68.14	426.30	4.00	-64.14
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)C1CCC1	REAL300024484132	1	55	0.0	-68.72	426.40	4.00	-64.72
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[NH+](C)CC1	REAL300024484138	0	55	0.0	-71.27	423.30	2.86	-68.41
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300024484148	0	52	0.0	-67.69	401.90	2.13	-65.56
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCC[N@H+]1C	REAL300024484148	1	52	0.0	-70.03	399.22	2.54	-67.49
CC1C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CCC2C)CC[N@@H+]1C	REAL300024484208	0	55	0.0	-67.73	419.23	2.48	-65.25
CC1C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CCC2C)CC[N@H+]1C	REAL300024484208	1	55	0.0	-70.42	417.09	3.04	-67.38
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024484242	0	51	0.0	-68.81	397.71	1.78	-67.03
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[NH+]1CCCC1	REAL300024484260	0	55	0.0	-56.82	426.87	3.42	-53.40
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)CCO	REAL300024484265	1	52	0.0	-70.12	408.27	-0.55	-70.67
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)CCO	REAL300024484265	1	52	0.0	-70.29	408.00	-0.52	-70.81
CC1C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CCC2C)C1	REAL300024484304	1	52	0.0	-71.07	413.32	2.53	-68.54
CC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484329	0	51	0.0	-70.03	397.91	2.69	-67.34
CC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484329	1	51	0.0	-69.90	397.91	2.69	-67.21
CC(CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024484374	0	57	0.0	-56.23	435.38	3.39	-52.84
CC[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)C1CC1	REAL300024484378	0	55	0.0	-66.84	428.78	4.07	-62.77
CC[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)C1CC1	REAL300024484378	1	55	0.0	-67.54	426.26	4.03	-63.51
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484397	0	54	0.0	-69.42	415.95	3.07	-66.35
C[C@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024484409	0	51	0.0	-66.84	397.14	2.42	-64.42
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484412	1	52	0.0	-68.33	413.20	2.38	-65.95
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484412	1	52	0.0	-68.81	412.60	2.35	-66.46
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=C[NH+]=CC=C1N	REAL300024484422	0	48	0.0	-58.63	389.41	-0.41	-59.04
CCCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024484426	0	57	0.0	-66.25	428.95	3.68	-62.57
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484436	0	57	0.0	-68.54	437.61	3.71	-64.83
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CC2CC2C1	REAL300024484492	0	53	0.0	-70.62	415.52	3.90	-66.72
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCCC[N@@H+]1C	REAL300024484499	0	55	0.0	-71.51	414.71	2.64	-68.87
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCCC[N@H+]1C	REAL300024484499	1	55	0.0	-64.72	421.49	2.93	-61.79
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=C1CC[N@H+](C)C1	REAL300024484518	0	53	0.0	-59.76	415.61	3.25	-56.51
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=C1CC[N@@H+](C)C1	REAL300024484518	1	53	0.0	-58.41	415.43	3.20	-55.21
CC1CCC(NC(=O)CSC2=NC(=O)NN2)CN1C(=O)CN=[N+]=[N-]	REAL300024484523	0	42	0.0	-21.12	355.45	-2.77	-23.89
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024484536	0	52	0.0	-65.55	398.63	2.55	-63.00
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300024484536	1	52	0.0	-66.69	403.97	2.26	-64.43
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024484572	0	55	0.0	-71.40	429.33	3.79	-67.61
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCCCC1	REAL300024484606	0	55	0.0	-69.99	421.92	3.89	-66.10
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@H+](C)C1	REAL300024484607	0	55	0.0	-67.99	420.93	3.41	-64.58
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@@H+](C)C1	REAL300024484607	1	55	0.0	-63.60	414.92	3.64	-59.96
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N+]1=CN(C)C=C1	REAL300024484608	0	50	0.0	-56.97	409.75	5.15	-51.82
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)C1CC1	REAL300024484617	0	52	0.0	-68.19	409.59	3.44	-64.75
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)C1CC1	REAL300024484617	1	52	0.0	-67.58	409.46	3.44	-64.14
CC(CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)C[NH+](C)C	REAL300024484625	0	57	0.0	-74.61	437.31	4.08	-70.53
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1C[NH+](C)C1	REAL300024484665	0	52	0.0	-68.72	411.63	2.92	-65.80
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+](C)C	REAL300024484672	0	48	0.0	-70.09	380.26	2.02	-68.07
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024484680	0	51	0.0	-68.81	397.71	1.78	-67.03
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+]1CC(C)C1	REAL300024484690	0	55	0.0	-68.30	428.47	2.95	-65.35
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484691	1	52	0.0	-68.95	407.80	2.24	-66.71
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484691	1	52	0.0	-68.40	411.56	3.14	-65.26
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=CC[NH+](C)C	REAL300024484692	0	52	0.0	-56.79	414.77	2.90	-53.89
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CC(C)(C)C1	REAL300024484695	1	55	0.0	-69.76	432.71	3.02	-66.74
CC[NH+](CC)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484708	0	54	0.0	-68.85	415.91	3.35	-65.50
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCC1	REAL300024484713	1	49	0.0	-69.87	392.40	1.89	-67.98
CC[NH+](CC)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024484727	0	57	0.0	-55.94	436.01	3.60	-52.34
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+]1CCC1	REAL300024484748	1	52	0.0	-68.33	408.72	2.28	-66.05
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024484766	0	55	0.0	-65.42	422.56	3.03	-62.39
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300024484766	1	55	0.0	-70.87	414.43	2.70	-68.17
C=CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024484782	0	55	0.0	-64.98	420.13	3.38	-61.60
CC1CCC(NC(=O)CSC(N)=[NH2+])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024484802	0	46	0.0	-74.17	390.57	-1.61	-75.78
CCC1C[NH+](CC(=O)NC2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024484857	1	55	0.0	-59.82	431.19	3.60	-56.22
CC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024484861	0	52	0.0	-69.70	402.16	2.07	-67.63
CC1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024484861	1	52	0.0	-57.31	401.64	2.66	-54.65
CC1CCC(NC(=O)C[NH+]2CCCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024484868	0	55	0.0	-59.27	420.24	3.61	-55.66
CC1C(C(=O)NC2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024484872	0	55	0.0	-62.55	424.35	3.31	-59.24
CC1C(C(=O)NC2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024484872	1	55	0.0	-73.97	419.70	2.74	-71.23
CC1CCN(C(=O)C2CCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485018	0	55	0.0	-69.24	426.21	2.73	-66.51
CC1CCN(C(=O)C2CCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485018	1	55	0.0	-69.81	423.03	2.57	-67.24
CCC(C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024485118	0	57	0.0	-70.80	425.01	2.71	-68.09
CCC[N@H+](C)CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024485123	0	57	0.0	-73.22	437.54	3.14	-70.08
CCC[N@@H+](C)CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024485123	1	57	0.0	-73.24	443.62	3.36	-69.88
CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485131	0	55	0.0	-69.87	420.06	2.54	-67.33
CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485131	1	55	0.0	-71.83	422.77	2.51	-69.32
CC[NH+](CC)CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024485136	0	57	0.0	-71.26	440.08	3.28	-67.98
CC[N@H+](C)CCC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024485192	0	57	0.0	-75.08	444.50	3.24	-71.84
CC[N@@H+](C)CCC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024485192	1	57	0.0	-75.09	444.52	3.22	-71.87
CC[C@@H](C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024485195	0	57	0.0	-71.21	428.75	2.76	-68.45
CC1CCN(C(=O)C[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485213	0	51	0.0	-73.56	404.32	1.94	-71.62
CC(C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024485217	1	55	0.0	-66.42	417.13	2.25	-64.17
CC1CCN(C(=O)C[N@H+](C)C2CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485223	0	55	0.0	-70.62	427.71	3.13	-67.49
CC1CCN(C(=O)C[N@@H+](C)C2CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485223	1	55	0.0	-70.02	427.53	3.11	-66.91
CC1CCN(C(=O)CC2C[NH+](C)C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485229	0	55	0.0	-74.48	435.42	2.72	-71.76
C[C@@H](C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024485236	0	54	0.0	-71.14	415.01	2.12	-69.02
CC1CCN(C(=O)CN=[N+]=[N-])CC1CNC(=O)CSC1=NC(=O)NN1	REAL300024485239	0	45	0.0	-23.42	381.34	-2.45	-25.87
C[C@@H](C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024485257	0	54	0.0	-71.14	415.01	2.12	-69.02
CC1CCN(C(=O)C[NH+]2CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485275	1	52	0.0	-73.50	408.61	2.17	-71.33
C[C@H](C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024485286	0	54	0.0	-71.01	420.61	2.29	-68.72
CC1C[NH+](CC(=O)N2CCC(C)C(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024485292	1	55	0.0	-73.43	435.66	3.05	-70.38
CC[N@H+](C)CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024485309	0	54	0.0	-72.88	416.05	2.39	-70.49
CC[N@@H+](C)CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024485309	1	54	0.0	-72.94	422.12	2.62	-70.32
CC1CCN(C(=O)C=CC[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485325	0	55	0.0	-77.52	433.20	2.94	-74.58
CC[N@@H+]1CCC1C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024485331	1	55	0.0	-70.45	422.30	2.42	-68.03
CC[N@H+]1CCC1C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024485331	1	55	0.0	-70.49	421.26	2.37	-68.12
CC1CCN(C(=O)C(C)(C)[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485344	0	57	0.0	-74.84	424.12	2.47	-72.37
CC1CCN(C(=O)C2([NH+](C)C)CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485366	0	55	0.0	-75.63	426.79	2.65	-72.98
CC(C[NH+](C)C)C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024485388	0	57	0.0	-70.35	435.97	2.81	-67.54
CC1CC[N@@H+]1CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024485397	1	55	0.0	-71.98	429.57	2.84	-69.14
CC1CC[N@H+]1CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024485397	1	55	0.0	-70.94	430.14	2.76	-68.18
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCC[N@@H+]1C	REAL300024485506	0	55	0.0	-64.75	424.46	2.60	-62.15
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCC[N@H+]1C	REAL300024485506	1	55	0.0	-64.72	418.22	2.34	-62.38
CCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024485577	0	57	0.0	-63.23	434.78	3.06	-60.17
CCC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024485581	0	57	0.0	-65.61	443.59	3.47	-62.14
CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024485581	1	57	0.0	-65.48	437.54	3.24	-62.24
CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024485598	0	57	0.0	-67.13	444.46	3.27	-63.86
CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024485598	1	57	0.0	-67.16	444.45	3.27	-63.89
CC[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024485638	0	57	0.0	-63.50	428.56	2.85	-60.65
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300024485684	0	55	0.0	-62.43	424.76	2.82	-59.61
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300024485684	1	55	0.0	-64.65	424.36	2.59	-62.06
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024485738	0	54	0.0	-64.37	416.47	2.23	-62.14
CC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)C1	REAL300024485762	1	55	0.0	-65.77	428.37	2.98	-62.79
CC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024485780	0	54	0.0	-65.17	416.04	2.49	-62.68
CC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024485780	1	54	0.0	-65.11	416.04	2.49	-62.62
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024485810	0	57	0.0	-67.15	442.77	3.32	-63.83
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1([NH+](C)C)CC1	REAL300024485813	0	55	0.0	-65.96	427.59	3.28	-62.68
C[C@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024485817	0	54	0.0	-64.06	416.44	2.24	-61.82
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024485820	1	55	0.0	-63.55	428.21	2.91	-60.64
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024485820	1	55	0.0	-64.24	436.06	3.07	-61.17
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C(C)(C)[NH+](C)C	REAL300024485828	0	57	0.0	-64.38	432.05	3.12	-61.26
CC1CCN(C(=O)CSC2=NC(=O)NN2)CC1CNC(=O)CN=[N+]=[N-]	REAL300024485874	0	45	0.0	-22.11	381.34	-2.35	-24.46
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024485887	0	55	0.0	-64.74	418.25	2.36	-62.38
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300024485887	1	55	0.0	-63.10	430.18	3.08	-60.02
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@H+](C)C1CC1	REAL300024485924	0	55	0.0	-63.37	433.77	3.46	-59.91
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@@H+](C)C1CC1	REAL300024485924	1	55	0.0	-63.05	433.62	3.46	-59.59
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)CC1C[NH+](C)C1	REAL300024485952	0	55	0.0	-67.76	435.78	2.88	-64.88
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[NH+](C)C	REAL300024485955	0	51	0.0	-66.13	404.36	2.05	-64.08
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300024485958	0	54	0.0	-64.37	416.47	2.23	-62.14
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024485965	1	55	0.0	-63.59	430.16	2.87	-60.72
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024485965	1	55	0.0	-64.28	435.70	3.13	-61.15
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C=CC[NH+](C)C	REAL300024485966	0	55	0.0	-70.42	441.59	3.30	-67.12
CC[NH+](CC)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300024485972	0	57	0.0	-63.89	435.95	3.13	-60.76
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[NH+]1CCC1	REAL300024485973	1	52	0.0	-65.64	408.40	2.24	-63.40
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+]1CCC1	REAL300024485995	1	55	0.0	-63.50	428.34	2.76	-60.74
CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024486063	0	55	0.0	-71.85	422.86	2.50	-69.35
CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024486063	1	55	0.0	-69.71	429.17	2.83	-66.88
CC(CC(C)NC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486253	0	51	0.0	-68.08	411.42	1.06	-67.02
CC(CC(C)NC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486253	1	51	0.0	-67.94	411.43	1.06	-66.88
CC(CC(C)NC(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486277	1	52	0.0	-75.89	421.67	0.80	-75.09
CC(CC(C)NC(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486277	1	52	0.0	-75.85	421.70	0.80	-75.05
CC(CC(C)NC(=O)C1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486420	0	57	0.0	-61.37	450.37	2.63	-58.74
CC(CC(C)NC(=O)C1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486420	1	57	0.0	-54.20	426.27	3.12	-51.08
CC1=[NH+]C=CN1CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486442	1	49	0.0	-56.71	414.18	2.93	-53.78
CC(CC(C)NC(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486460	0	55	0.0	-73.07	426.13	3.10	-69.97
CC(CC(C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486486	0	54	0.0	-67.22	428.03	1.48	-65.74
CC(CC(C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486486	1	54	0.0	-66.27	434.27	1.74	-64.53
CC[C@@H]1[C@@H](C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024486488	0	57	0.0	-65.91	448.08	2.20	-63.71
CC[C@@H]1[C@@H](C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024486488	1	57	0.0	-62.34	452.28	2.75	-59.59
CC(CC(C)NC(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486535	0	57	0.0	-56.36	437.60	3.09	-53.27
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCC1	REAL300024486537	0	57	0.0	-59.33	454.57	3.84	-55.49
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCC1	REAL300024486539	0	57	0.0	-62.07	448.29	3.71	-58.36
CC[N@@H+]1CCCCC1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486542	0	57	0.0	-63.63	441.74	2.58	-61.05
CC[N@H+]1CCCCC1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486542	1	57	0.0	-64.11	451.21	2.74	-61.37
CC(CC(C)NC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486551	0	54	0.0	-68.50	429.67	2.10	-66.40
CC(CC(C)NC(=O)[C@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486557	0	56	0.0	-65.63	435.64	2.05	-63.58
CC(CC(C)NC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486575	0	54	0.0	-61.04	430.92	3.29	-57.75
CC(CC(C)NC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486575	1	54	0.0	-58.18	430.97	3.30	-54.88
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486625	1	53	0.0	-65.84	438.06	2.29	-63.55
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486625	1	53	0.0	-62.53	443.95	2.78	-59.75
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@@H+]1C	REAL300024486630	0	57	0.0	-65.35	453.36	2.52	-62.83
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@H+]1C	REAL300024486630	1	57	0.0	-67.97	458.81	2.99	-64.98
CC(CC(C)NC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486646	0	54	0.0	-69.74	436.02	2.16	-67.58
CC(CC(C)NC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486669	0	54	0.0	-56.91	417.51	2.74	-54.17
CC(CC(C)NC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486669	1	54	0.0	-61.83	424.08	1.94	-59.89
CC1=C[NH+]=CN1CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486727	1	49	0.0	-66.52	420.14	2.81	-63.71
CC(CC(C)NC(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486743	0	55	0.0	-77.84	433.18	2.15	-75.69
CC(CC(C)NC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486748	0	54	0.0	-56.02	431.20	2.91	-53.11
CC(CC(C)NC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486748	1	54	0.0	-64.00	431.18	2.91	-61.09
CCC(C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024486754	0	53	0.0	-55.49	415.84	2.33	-53.16
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+](C)C	REAL300024486795	0	56	0.0	-61.25	450.12	3.44	-57.81
CC(C)C(C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024486805	0	56	0.0	-57.95	428.24	3.45	-54.50
CCC[N@H+](C)CCC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486806	0	56	0.0	-68.39	453.02	2.45	-65.94
CCC[N@@H+](C)CCC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486806	1	56	0.0	-60.44	446.34	3.28	-57.16
CCC[N@H+](C)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486809	0	53	0.0	-60.63	423.98	2.73	-57.90
CCC[N@@H+](C)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486809	1	53	0.0	-61.36	423.97	2.72	-58.64
CC(CC(C)NC(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486818	0	55	0.0	-75.02	429.68	1.43	-73.59
CC(CC(C)NC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486818	1	55	0.0	-84.65	429.29	1.52	-83.13
CC(CC(C)NC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486839	0	51	0.0	-63.85	417.76	1.58	-62.27
CC(CC(C)NC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486839	1	51	0.0	-53.43	405.94	1.96	-51.47
CC[NH+](CC)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486866	0	53	0.0	-58.64	416.35	2.40	-56.24
CC(CC(C)NC(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486919	0	57	0.0	-65.95	454.39	3.00	-62.95
CC(CC(C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486937	0	54	0.0	-71.35	430.41	2.89	-68.46
CC(CC(C)NC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486983	0	54	0.0	-69.74	436.02	2.16	-67.58
CC(CC(C)NC(=O)[C@@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486998	0	56	0.0	-72.50	439.01	2.25	-70.25
CC[N@H+](C)CCC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487054	0	53	0.0	-67.59	431.52	1.72	-65.87
CC[N@@H+](C)CCC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487054	1	53	0.0	-59.97	424.84	2.54	-57.43
CC(CC(C)NC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487076	0	54	0.0	-57.82	423.45	2.69	-55.13
CC(CC(C)NC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487076	1	54	0.0	-62.47	430.10	1.89	-60.58
CC(CC(C)NC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487077	0	54	0.0	-64.04	436.76	2.19	-61.85
CC(CC(C)NC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487077	1	54	0.0	-60.74	430.27	3.06	-57.68
CC(CC(C)NC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487078	0	57	0.0	-64.81	456.66	2.75	-62.06
CC(CC(C)NC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487078	1	57	0.0	-59.66	449.70	3.57	-56.09
CC[C@@H](C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024487085	0	53	0.0	-71.69	424.10	1.56	-70.13
CC(CC(C)NC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487155	0	47	0.0	-61.07	384.76	1.31	-59.76
CC(CC(C)NC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487158	0	57	0.0	-65.84	442.50	2.55	-63.29
CC(CC(C)NC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487160	0	49	0.0	-61.58	415.93	4.82	-56.76
CC(CC(C)NC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487163	0	54	0.0	-74.53	434.55	1.75	-72.78
CC(CC(C)NC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487163	1	54	0.0	-58.38	423.07	3.13	-55.25
CC(CC(C)NC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487168	0	55	0.0	-55.38	442.21	3.84	-51.54
CC(CC(C)NC(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487168	1	55	0.0	-60.69	435.76	2.14	-58.55
CC(CC(C)NC(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487178	1	51	0.0	-66.48	407.71	2.18	-64.30
CC(CC(C)NC(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487186	0	56	0.0	-65.71	438.96	2.21	-63.50
CC(CC(C)NC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487197	0	51	0.0	-62.66	420.83	1.91	-60.75
CC(CC(C)NC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487197	1	51	0.0	-63.34	420.83	1.91	-61.43
CC(CC(C)NC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487211	0	51	0.0	-63.14	416.19	2.13	-61.01
CC(CC(C)NC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487221	0	57	0.0	-61.81	452.94	2.23	-59.58
CC(CC(C)NC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487221	1	57	0.0	-62.26	427.89	2.86	-59.40
CC(CC(C)NC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487230	0	50	0.0	-71.82	406.45	0.57	-71.25
CC(CC(C)NC(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300024487237	0	41	0.0	-25.64	361.71	-3.09	-28.73
CC(CC(C)NC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487278	0	47	0.0	-53.67	411.62	1.51	-52.16
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)CCO	REAL300024487283	0	54	0.0	-58.30	435.20	-0.69	-58.99
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)CCO	REAL300024487283	1	54	0.0	-67.30	441.82	-1.52	-68.82
CC(CC(C)NC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487284	0	50	0.0	-71.82	406.45	0.57	-71.25
CC(CC(C)NC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487287	0	54	0.0	-65.22	433.40	2.12	-63.10
CC(CC(C)NC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487287	1	54	0.0	-70.97	421.27	1.66	-69.31
CC(CC(C)NC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487331	1	48	0.0	-65.83	401.52	0.92	-64.91
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@H+](C)C1	REAL300024487343	0	52	0.0	-61.97	425.11	2.98	-58.99
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300024487343	1	52	0.0	-61.76	425.12	2.97	-58.79
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCC[NH+](C)C	REAL300024487361	0	54	0.0	-64.28	440.63	2.36	-61.92
C=CCC(C)(C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024487372	0	57	0.0	-60.68	434.75	3.03	-57.65
CC(CC(C)NC(=O)CN1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487403	0	51	0.0	-60.80	416.02	2.41	-58.39
CC(CC(C)NC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487403	1	51	0.0	-60.80	416.02	2.41	-58.39
CC(CC(C)NC(=O)CN(C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487419	0	51	0.0	-67.07	419.50	-2.06	-69.13
CC(CC(C)NC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487419	1	51	0.0	-59.38	412.62	-1.27	-60.65
CC(CC(C)NC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487419	1	51	0.0	-59.38	412.62	-1.27	-60.65
CC[N@@H+]1CCCC(C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024487436	0	57	0.0	-60.83	447.40	2.99	-57.84
CC[N@H+]1CCCC(C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024487436	1	57	0.0	-60.83	447.40	2.99	-57.84
CC(CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024487438	0	56	0.0	-67.05	441.90	3.29	-63.76
CC[N@H+](C)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487441	0	50	0.0	-60.58	402.47	1.98	-58.60
CC[N@H+](CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024487464	0	54	0.0	-63.50	432.82	2.41	-61.09
CC[NH+](CC)CCC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487472	0	56	0.0	-60.57	438.36	2.96	-57.61
CC(CC(C)NC(=O)CN1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487485	0	54	0.0	-65.75	441.83	2.07	-63.68
CC(CC(C)NC(=O)C[NH+]1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487485	1	54	0.0	-65.75	441.83	2.07	-63.68
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300024487500	0	51	0.0	-57.87	423.19	2.63	-55.24
COCCN(C)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487513	0	54	0.0	-58.58	434.85	1.13	-57.45
COCC[N@H+](C)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487513	1	54	0.0	-67.41	441.76	0.34	-67.07
COCC[N@@H+](C)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487513	1	54	0.0	-67.41	441.76	0.34	-67.07
CC(CC(C)NC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487529	0	57	0.0	-70.02	439.90	2.63	-67.39
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC(C)[NH+](C)C	REAL300024487531	0	56	0.0	-58.92	442.02	3.03	-55.89
CCN1CCC1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487537	0	51	0.0	-58.26	410.71	1.99	-56.27
CC[N@@H+]1CCC1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487537	1	51	0.0	-56.03	411.77	2.03	-54.00
CC[N@H+]1CCC1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487537	1	51	0.0	-56.03	411.77	2.03	-54.00
CC(CC(C)NC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487561	0	57	0.0	-57.62	448.68	2.57	-55.05
C=CCC(C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024487577	0	54	0.0	-54.65	428.71	2.81	-51.84
CC(CC(C)NC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487584	0	57	0.0	-67.78	451.33	2.21	-65.57
CC(CC(C)NC(=O)C1CC(C)(C)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487584	1	57	0.0	-67.78	451.33	2.21	-65.57
CCCC(C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024487601	0	56	0.0	-55.24	436.96	3.11	-52.13
CC(CC(C)NC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487604	0	53	0.0	-72.70	418.88	1.65	-71.05
CC(CC(C)NC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487624	0	54	0.0	-61.83	424.08	1.94	-59.89
CC(CC(C)NC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487643	0	55	0.0	-61.05	443.88	3.63	-57.42
CC(CC(C)NC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487643	1	55	0.0	-61.05	443.88	3.63	-57.42
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+]1CCCC1	REAL300024487672	0	55	0.0	-63.45	447.79	3.69	-59.76
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300024487697	0	54	0.0	-59.93	433.07	3.03	-56.90
CC(CC(C)NC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487721	0	52	0.0	-72.62	423.67	1.67	-70.95
CC(CC(C)NC(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487726	0	55	0.0	-62.30	428.74	3.22	-59.08
CC(CC(C)NC(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487726	1	55	0.0	-62.30	428.74	3.22	-59.08
CC(CC(C)NC(=O)CN1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487760	0	53	0.0	-61.74	423.89	3.20	-58.54
CC(CC(C)NC(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487760	1	53	0.0	-59.27	423.88	3.28	-55.99
CC(CC(C)NC(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487760	1	53	0.0	-59.27	423.88	3.28	-55.99
CC(CC(C)NC(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487787	0	53	0.0	-75.59	428.90	1.34	-74.25
CC(CC(C)NC(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487823	0	57	0.0	-70.20	450.68	2.69	-67.51
CC(CC(C)NC(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487823	1	57	0.0	-70.20	450.68	2.69	-67.51
CC(CC(C)NC(=O)CN1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487834	0	51	0.0	-65.08	422.75	1.59	-63.49
CC(CC(C)NC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487834	1	51	0.0	-63.08	417.20	1.31	-61.77
CC(CC(C)NC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487834	1	51	0.0	-63.08	417.20	1.31	-61.77
CC(CC(C)NC(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487836	0	54	0.0	-63.46	437.46	0.29	-63.17
CC(CC(C)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487888	0	54	0.0	-70.90	441.14	2.23	-68.67
CC(CC(C)NC(=O)C(C)CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487892	0	56	0.0	-75.23	450.56	1.97	-73.26
CC(CC(C)NC(=O)CN1CCN(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487907	0	56	0.0	-64.84	444.27	0.84	-64.00
CC(CC(C)NC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487907	1	56	0.0	-64.84	444.27	0.84	-64.00
CC(CC(C)NC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488076	0	51	0.0	-67.94	411.43	1.06	-66.88
CC(CC(C)NC(=O)C1CN(C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488102	0	52	0.0	-75.89	421.67	0.80	-75.09
CC(CC(C)NC(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488102	1	52	0.0	-75.85	421.70	0.80	-75.05
CC(CC(C)NC(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488102	1	52	0.0	-75.85	421.70	0.80	-75.05
CC(CC(C)NC(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488258	0	55	0.0	-77.84	433.18	2.15	-75.69
CC(CC(C)NC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488279	0	54	0.0	-56.02	431.20	2.91	-53.11
CC(CC(C)NC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488279	1	54	0.0	-64.00	431.18	2.91	-61.09
CCC(C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024488285	0	53	0.0	-55.49	415.84	2.33	-53.16
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+](C)C	REAL300024488314	0	56	0.0	-61.25	450.12	3.44	-57.81
CC(C)C(C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024488326	0	56	0.0	-57.95	428.24	3.45	-54.50
CCC[N@H+](C)CCC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488327	0	56	0.0	-68.39	453.02	2.45	-65.94
CCC[N@@H+](C)CCC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488327	1	56	0.0	-60.44	446.34	3.28	-57.16
CCC[N@H+](C)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488330	0	53	0.0	-60.63	423.98	2.73	-57.90
CCC[N@@H+](C)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488330	1	53	0.0	-61.36	423.97	2.72	-58.64
CC(CC(C)NC(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488339	0	55	0.0	-75.02	429.68	1.43	-73.59
CC(CC(C)NC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488339	1	55	0.0	-84.65	429.29	1.52	-83.13
CC(CC(C)NC(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488363	0	57	0.0	-65.95	454.39	3.00	-62.95
CC(CC(C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488400	0	54	0.0	-71.35	430.41	2.89	-68.46
CC[N@H+](C)CCC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488417	0	53	0.0	-67.59	431.52	1.72	-65.87
CC[N@@H+](C)CCC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488417	1	53	0.0	-59.97	424.84	2.54	-57.43
CC(CC(C)NC(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488428	0	55	0.0	-73.07	426.13	3.10	-69.97
CC(CC(C)NC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488465	0	54	0.0	-69.74	436.02	2.16	-67.58
CC(CC(C)NC(=O)[C@@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488480	0	56	0.0	-72.50	439.01	2.25	-70.25
CC(CC(C)NC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488540	0	54	0.0	-68.50	429.67	2.10	-66.40
CC(CC(C)NC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488574	0	54	0.0	-57.82	423.45	2.69	-55.13
CC(CC(C)NC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488574	1	54	0.0	-62.47	430.10	1.89	-60.58
CC(CC(C)NC(=O)C1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488600	0	57	0.0	-61.37	450.37	2.63	-58.74
CC(CC(C)NC(=O)C1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488600	1	57	0.0	-54.20	426.27	3.12	-51.08
CC(CC(C)NC(=O)[C@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488607	0	56	0.0	-65.63	435.64	2.05	-63.58
CC(CC(C)NC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488617	0	54	0.0	-64.04	436.76	2.19	-61.85
CC(CC(C)NC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488617	1	54	0.0	-60.74	430.27	3.06	-57.68
CC(CC(C)NC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488618	0	57	0.0	-64.81	456.66	2.75	-62.06
CC(CC(C)NC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488618	1	57	0.0	-59.66	449.70	3.57	-56.09
CC[C@@H](C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024488625	0	53	0.0	-71.69	424.10	1.56	-70.13
CC1=[NH+]C=CN1CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488703	1	49	0.0	-56.71	414.18	2.93	-53.78
CC1=C[NH+]=CN1CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488761	1	49	0.0	-66.52	420.14	2.81	-63.71
CC(CC(C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488765	0	54	0.0	-67.22	428.03	1.48	-65.74
CC(CC(C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488765	1	54	0.0	-66.27	434.27	1.74	-64.53
CC[C@@H]1[C@@H](C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024488767	0	57	0.0	-65.91	448.08	2.20	-63.71
CC[C@@H]1[C@@H](C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024488767	1	57	0.0	-62.34	452.28	2.75	-59.59
CC(CC(C)NC(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488772	0	57	0.0	-56.36	437.60	3.09	-53.27
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCC1	REAL300024488774	0	57	0.0	-59.33	454.57	3.84	-55.49
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCC1	REAL300024488777	0	57	0.0	-62.07	448.29	3.71	-58.36
CC[N@@H+]1CCCCC1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488780	0	57	0.0	-63.63	441.74	2.58	-61.05
CC[N@H+]1CCCCC1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488780	1	57	0.0	-64.11	451.21	2.74	-61.37
CC(CC(C)NC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488857	0	54	0.0	-61.04	430.92	3.29	-57.75
CC(CC(C)NC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488857	1	54	0.0	-58.18	430.97	3.30	-54.88
CC(CC(C)NC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488877	0	54	0.0	-69.74	436.02	2.16	-67.58
CC(CC(C)NC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488899	0	51	0.0	-63.85	417.76	1.58	-62.27
CC(CC(C)NC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488899	1	51	0.0	-53.43	405.94	1.96	-51.47
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488916	1	53	0.0	-65.84	438.06	2.29	-63.55
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488916	1	53	0.0	-62.53	443.95	2.78	-59.75
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@@H+]1C	REAL300024488921	0	57	0.0	-65.35	453.36	2.52	-62.83
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@H+]1C	REAL300024488921	1	57	0.0	-67.97	458.81	2.99	-64.98
CC(CC(C)NC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488980	0	54	0.0	-56.91	417.51	2.74	-54.17
CC(CC(C)NC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488980	1	54	0.0	-61.83	424.08	1.94	-59.89
CC(CC(C)NC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489025	0	54	0.0	-63.75	432.66	1.90	-61.85
CC(CC(C)NC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489025	1	54	0.0	-66.28	429.32	2.63	-63.65
CC(CC(C)NC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489072	0	57	0.0	-61.81	452.94	2.23	-59.58
CC(CC(C)NC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489072	1	57	0.0	-62.26	427.89	2.86	-59.40
CC(CC(C)NC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489084	0	50	0.0	-71.82	406.45	0.57	-71.25
C=CCC(C)(C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024489096	0	57	0.0	-60.68	434.75	3.03	-57.65
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300024489108	0	54	0.0	-59.93	433.07	3.03	-56.90
CC(CC(C)NC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489114	1	51	0.0	-67.07	419.50	-2.06	-69.13
CC(CC(C)NC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489114	1	51	0.0	-59.38	412.62	-1.27	-60.65
CC(CC(C)NC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489159	0	55	0.0	-61.04	443.89	3.63	-57.41
CC(CC(C)NC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489159	1	55	0.0	-61.05	443.88	3.63	-57.42
CC(CC(C)NC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489199	1	51	0.0	-60.80	416.02	2.41	-58.39
CC[N@@H+]1CCCC(C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024489204	0	57	0.0	-57.85	446.98	3.57	-54.28
CC[N@H+]1CCCC(C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024489204	1	57	0.0	-60.83	447.40	2.99	-57.84
CC(CC(C)NC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489215	0	55	0.0	-55.38	442.21	3.84	-51.54
CC(CC(C)NC(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489215	1	55	0.0	-60.69	435.76	2.14	-58.55
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+]1CCCC1	REAL300024489234	0	55	0.0	-63.45	447.79	3.69	-59.76
CC[N@H+](C)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489269	0	50	0.0	-60.58	402.47	1.98	-58.60
CC(CC(C)NC(=O)CN1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489296	0	53	0.0	-61.74	423.89	3.20	-58.54
CC(CC(C)NC(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489296	1	53	0.0	-59.27	423.88	3.28	-55.99
CC(CC(C)NC(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489296	1	53	0.0	-59.27	423.88	3.28	-55.99
COCCN(C)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489369	0	54	0.0	-58.58	434.85	1.13	-57.45
COCC[N@H+](C)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489369	1	54	0.0	-67.41	441.76	0.34	-67.07
COCC[N@@H+](C)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489369	1	54	0.0	-67.41	441.76	0.34	-67.07
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC(C)[NH+](C)C	REAL300024489372	0	56	0.0	-58.92	442.02	3.03	-55.89
CC[N@H+](CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024489384	0	54	0.0	-63.50	432.82	2.41	-61.09
CC(CC(C)NC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489408	0	52	0.0	-72.62	423.67	1.67	-70.95
CC(CC(C)NC(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489415	0	55	0.0	-62.30	428.74	3.22	-59.08
CC(CC(C)NC(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489415	1	55	0.0	-62.30	428.74	3.22	-59.08
CC(CC(C)NC(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489428	0	53	0.0	-75.59	428.90	1.34	-74.25
CCN1CCC1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489455	0	51	0.0	-58.26	410.71	1.99	-56.27
CC[N@@H+]1CCC1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489455	1	51	0.0	-56.03	411.77	2.03	-54.00
CC[N@H+]1CCC1C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489455	1	51	0.0	-56.03	411.77	2.03	-54.00
CCCC(C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024489489	0	56	0.0	-55.24	436.96	3.11	-52.13
CC(CC(C)NC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489493	0	53	0.0	-72.70	418.88	1.65	-71.05
CC(CC(C)NC(=O)C(C)CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489506	0	56	0.0	-75.23	450.56	1.97	-73.26
CC(CC(C)NC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489553	0	57	0.0	-67.78	451.33	2.21	-65.57
CC(CC(C)NC(=O)C1CC(C)(C)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489553	1	57	0.0	-67.78	451.33	2.21	-65.57
CC(CC(C)NC(=O)CN1CCN(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489560	0	56	0.0	-64.84	444.27	0.84	-64.00
CC(CC(C)NC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489560	1	56	0.0	-64.84	444.27	0.84	-64.00
CC(CC(C)NC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489637	0	54	0.0	-61.83	424.08	1.94	-59.89
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@H+](C)C1	REAL300024489692	0	52	0.0	-61.76	425.12	2.97	-58.79
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300024489692	1	52	0.0	-61.76	425.12	2.97	-58.79
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CNC1=CC=[NH+]C=C1	REAL300024489694	0	50	0.0	-68.00	427.14	-0.22	-68.22
CC(CC(C)NC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489743	0	57	0.0	-70.02	439.90	2.63	-67.39
CCC1CN(CC(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024489750	0	54	0.0	-61.55	437.42	3.17	-58.38
CCC1C[NH+](CC(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024489750	1	54	0.0	-61.55	437.42	3.17	-58.38
CC(CC(C)NC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489759	0	51	0.0	-56.71	410.47	2.28	-54.43
CC(CC(C)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489833	0	54	0.0	-70.90	441.14	2.23	-68.67
CC(CC(C)NC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489840	0	57	0.0	-76.35	455.36	3.58	-72.77
CC(CC(C)NC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489841	0	55	0.0	-62.89	435.99	3.37	-59.52
CC(CC(C)NC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489841	1	55	0.0	-62.89	435.99	3.37	-59.52
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCC[NH+](C)C	REAL300024489868	0	54	0.0	-64.28	440.63	2.36	-61.92
CC(CC(C)NC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489891	0	47	0.0	-53.67	411.62	1.51	-52.16
CC(CC(C)NC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489942	0	54	0.0	-59.91	426.87	3.20	-56.71
CC(CC(C)NC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489943	0	54	0.0	-74.53	434.55	1.75	-72.78
CC(CC(C)NC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489943	1	54	0.0	-58.38	423.07	3.13	-55.25
CC(CC(C)NC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489944	0	57	0.0	-65.84	442.50	2.55	-63.29
CC(CC(C)NC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489946	0	49	0.0	-61.58	415.93	4.82	-56.76
CC(CC(C)NC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489965	1	51	0.0	-63.34	420.83	1.91	-61.43
CC(CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024489979	0	56	0.0	-67.05	441.90	3.29	-63.76
CC(CC(C)NC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490070	0	51	0.0	-63.14	416.19	2.13	-61.01
CC(CC(C)NC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490079	0	47	0.0	-61.07	384.76	1.31	-59.76
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)CCO	REAL300024490092	0	54	0.0	-58.30	435.20	-0.69	-58.99
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)CCO	REAL300024490092	1	54	0.0	-67.30	441.82	-1.52	-68.82
CC(CC(C)NC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490093	0	50	0.0	-71.82	406.45	0.57	-71.25
CC(CC(C)NC(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490106	0	57	0.0	-55.31	443.17	2.56	-52.75
CC(CC(C)NC(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490106	1	57	0.0	-70.20	450.68	2.69	-67.51
CC(CC(C)NC(=O)C(C)[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490116	0	54	0.0	-71.57	439.99	1.76	-69.81
CC(CC(C)NC(=O)CN1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490118	0	51	0.0	-63.08	417.20	1.31	-61.77
CC(CC(C)NC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490118	1	51	0.0	-65.08	422.75	1.59	-63.49
CC(CC(C)NC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490118	1	51	0.0	-63.08	417.20	1.31	-61.77
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300024490124	0	51	0.0	-57.87	423.19	2.63	-55.24
CC(CC(C)NC(=O)C[NH+]1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490129	1	54	0.0	-65.75	441.83	2.07	-63.68
CC[NH+](CC)CC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490163	0	53	0.0	-58.64	416.35	2.40	-56.24
CC(CC(C)NC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490172	1	48	0.0	-65.83	401.52	0.92	-64.91
CC[NH+](CC)CCC(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490199	0	56	0.0	-60.57	438.36	2.96	-57.61
CC(CC(C)NC(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490249	1	51	0.0	-66.48	407.71	2.18	-64.30
CC(CC(C)NC(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490258	0	56	0.0	-65.71	438.96	2.21	-63.50
CC(CC(C)NC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490285	0	54	0.0	-65.22	433.40	2.12	-63.10
CC(CC(C)NC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490285	1	54	0.0	-70.97	421.27	1.66	-69.31
CC(CC(C)NC(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490302	0	54	0.0	-63.46	437.46	0.29	-63.17
C=CCC(C(=O)NC(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024490321	0	54	0.0	-54.65	428.71	2.81	-51.84
CC(CC(C)NC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490331	0	57	0.0	-57.62	448.68	2.57	-55.05
CC(CC(C)NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC(N)=[NH2+]	REAL300024490352	0	45	0.0	-69.02	399.95	-2.63	-71.65
CC(CC(C)NC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490372	0	57	0.0	-76.35	455.36	3.58	-72.77
CC(CC(C)NC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490373	0	55	0.0	-55.80	437.61	2.49	-53.31
CC(CC(C)NC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490373	1	55	0.0	-62.89	435.99	3.37	-59.52
CCC1CN(CC(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024490451	0	54	0.0	-61.55	437.42	3.17	-58.38
CCC1C[NH+](CC(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024490451	1	54	0.0	-61.55	437.42	3.17	-58.38
CC(CC(C)NC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490456	0	51	0.0	-56.71	410.47	2.28	-54.43
CC(CC(C)NC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490473	0	54	0.0	-66.28	429.32	2.63	-63.65
CC(CC(C)NC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490473	1	54	0.0	-66.28	429.32	2.63	-63.65
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024490709	0	50	0.0	-72.76	401.97	2.55	-70.21
CN1CCOC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024490733	0	51	0.0	-85.51	416.76	2.37	-83.14
C[N@@H+]1CCOC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024490733	1	51	0.0	-76.15	409.11	2.19	-73.96
C[N@H+]1CCOC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024490733	1	51	0.0	-76.15	409.11	2.19	-73.96
CC1=NC=CN1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024490872	0	48	0.0	-68.22	412.47	3.62	-64.60
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024490872	1	48	0.0	-68.22	412.47	3.62	-64.60
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300024490891	0	53	0.0	-76.74	424.48	3.25	-73.49
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300024490891	1	53	0.0	-76.74	424.48	3.25	-73.49
C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CCC1	REAL300024490912	0	53	0.0	-77.10	413.12	3.29	-73.81
CC(C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024490914	0	55	0.0	-68.56	423.92	3.60	-64.96
C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300024490924	0	53	0.0	-68.86	429.19	4.00	-64.86
C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300024490924	1	53	0.0	-68.86	429.19	4.00	-64.86
C[NH+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024490950	0	53	0.0	-74.54	425.29	3.48	-71.06
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024490956	0	53	0.0	-69.93	423.64	3.61	-66.32
CC1=CN=CN1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024490973	0	48	0.0	-70.38	411.77	4.33	-66.05
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024490973	1	48	0.0	-70.38	411.77	4.33	-66.05
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024490983	0	53	0.0	-76.47	428.30	3.58	-72.89
C[N@H+]1CCC(CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024490983	1	53	0.0	-76.47	428.30	3.58	-72.89
CCC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024490986	0	52	0.0	-68.92	416.11	3.19	-65.73
C[NH+](C)CCCCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491000	0	55	0.0	-73.25	448.31	4.19	-69.06
CC(C)C(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024491004	0	55	0.0	-66.29	428.47	3.95	-62.34
CCC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491005	0	55	0.0	-71.61	444.51	4.03	-67.58
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491005	1	55	0.0	-71.61	444.51	4.03	-67.58
CCC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491006	0	52	0.0	-70.75	422.30	3.43	-67.32
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491006	1	52	0.0	-70.75	422.30	3.43	-67.32
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491021	0	50	0.0	-70.34	405.18	2.96	-67.38
CC[NH+](CC)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491033	0	52	0.0	-67.63	419.02	3.41	-64.22
C[NH+](C)CC1(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024491087	0	53	0.0	-85.06	424.48	3.45	-81.61
C[NH+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024491111	0	53	0.0	-74.54	425.29	3.48	-71.06
CC(C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024491126	0	55	0.0	-70.55	424.87	3.66	-66.89
CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491154	0	52	0.0	-72.27	423.17	3.26	-69.01
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491154	1	52	0.0	-72.35	423.17	3.26	-69.09
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491165	0	53	0.0	-67.29	421.74	3.39	-63.90
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491165	1	53	0.0	-72.58	427.85	3.73	-68.85
CC1CC[N@H+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024491166	0	53	0.0	-72.42	428.06	3.64	-68.78
CC1CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024491166	1	53	0.0	-69.59	428.41	3.70	-65.89
CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024491168	0	52	0.0	-66.69	416.53	3.21	-63.48
C[NH+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491205	0	46	0.0	-69.52	382.92	2.06	-67.46
CN1C=C[N+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300024491206	0	48	0.0	-66.82	414.15	5.57	-61.25
C[N@@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024491209	0	53	0.0	-69.58	427.82	3.58	-66.00
C[N@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024491209	1	53	0.0	-76.95	418.25	3.50	-73.45
CC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300024491217	1	50	0.0	-73.32	404.98	2.70	-70.62
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491220	0	55	0.0	-71.15	425.73	3.28	-67.87
C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024491227	0	50	0.0	-66.54	412.23	3.45	-63.09
C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024491227	1	50	0.0	-69.83	411.02	3.43	-66.40
C[NH+]1CC(CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024491238	0	50	0.0	-70.23	414.20	2.89	-67.34
C[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024491250	0	49	0.0	-72.95	400.35	2.43	-70.52
[N-]=[N+]=NCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300024491257	0	40	0.0	-25.80	359.91	-2.36	-28.16
C[N@H+](CCO)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491289	0	53	0.0	-71.48	433.36	0.08	-71.40
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491289	1	53	0.0	-71.79	433.50	0.01	-71.78
C[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024491290	0	49	0.0	-72.95	400.35	2.43	-70.52
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491293	0	53	0.0	-74.20	411.34	3.18	-71.02
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491293	1	53	0.0	-71.38	424.68	3.64	-67.74
O=C(C[NH+]1CCC1)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491320	1	47	0.0	-75.42	393.21	2.53	-72.89
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024491330	0	51	0.0	-77.14	420.51	3.56	-73.58
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024491330	1	51	0.0	-74.91	420.82	3.59	-71.32
C[NH+](C)CCOCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491340	0	53	0.0	-72.30	438.81	3.16	-69.14
C[C@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024491351	0	49	0.0	-69.77	400.76	2.41	-67.36
CC1C[NH+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024491368	1	50	0.0	-75.28	414.21	3.15	-72.13
C[N@H+](CCO)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491381	1	50	0.0	-71.08	411.15	-0.54	-71.62
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491381	1	50	0.0	-71.04	410.91	-0.52	-71.56
CC(CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300024491393	0	55	0.0	-75.70	438.79	4.04	-71.66
CC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491395	0	49	0.0	-70.38	400.80	2.70	-67.68
CC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491395	1	49	0.0	-70.41	400.80	2.69	-67.72
CC[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024491405	0	53	0.0	-65.64	431.53	4.08	-61.56
CC[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024491405	1	53	0.0	-66.17	428.97	4.08	-62.09
CC[NH+](CC)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491411	0	55	0.0	-69.81	440.89	3.97	-65.84
CC1(C)C[NH+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024491419	1	53	0.0	-75.98	433.53	3.67	-72.31
C[NH+](C)CC=CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491426	0	50	0.0	-73.66	418.62	3.26	-70.40
COCC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491435	1	53	0.0	-70.82	433.16	1.88	-68.94
COCC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491435	1	53	0.0	-71.21	433.41	1.86	-69.35
CC(CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024491444	0	55	0.0	-73.31	438.89	3.77	-69.54
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491448	1	50	0.0	-73.09	413.54	2.99	-70.10
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491448	1	50	0.0	-69.92	414.73	3.00	-66.92
C=CCC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024491473	0	53	0.0	-67.09	424.99	3.48	-63.61
O=C(C[NH+]1CC2CC2C1)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491481	0	51	0.0	-70.41	418.54	3.91	-66.50
CCCC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024491487	0	55	0.0	-69.42	436.33	3.90	-65.52
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491489	0	52	0.0	-73.34	405.23	3.12	-70.22
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491499	0	53	0.0	-70.74	423.19	3.59	-67.15
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491499	1	53	0.0	-69.93	423.64	3.61	-66.32
C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024491536	0	50	0.0	-74.68	407.35	2.80	-71.88
O=C(CC[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491537	0	53	0.0	-70.29	431.24	3.80	-66.49
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300024491547	0	51	0.0	-71.85	408.94	3.19	-68.66
C[N@H+]1CC2CC1(C(=O)N1CC3(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300024491547	1	51	0.0	-79.62	408.10	3.17	-76.45
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491583	0	52	0.0	-70.68	418.66	3.08	-67.60
CC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300024491606	0	53	0.0	-68.35	428.11	3.50	-64.85
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491607	1	50	0.0	-71.22	408.28	2.88	-68.34
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491607	1	50	0.0	-72.75	413.20	3.06	-69.69
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491609	0	53	0.0	-75.16	435.64	1.07	-74.09
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024491639	0	53	0.0	-73.60	432.64	3.78	-69.82
CC(CC[NH+](C)C)C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024491640	0	55	0.0	-71.77	440.26	3.72	-68.05
C[N@@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024491810	0	50	0.0	-73.56	405.16	2.90	-70.66
C[N@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024491810	1	50	0.0	-71.98	401.72	2.46	-69.52
C[N@@H+]1CCOC(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024491836	1	51	0.0	-83.96	414.72	2.27	-81.69
C[N@H+]1CCOC(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024491836	1	51	0.0	-91.37	415.40	2.27	-89.10
C[N@@H+]1CCC(CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024491986	0	53	0.0	-76.14	428.44	3.62	-72.52
C[N@H+]1CCC(CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024491986	1	53	0.0	-75.66	428.60	3.64	-72.02
CCC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024491989	0	52	0.0	-74.74	411.62	3.09	-71.65
C[NH+](C)CCCCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024491999	0	55	0.0	-79.65	448.28	4.21	-75.44
CC(C)C(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024492004	0	55	0.0	-74.85	426.27	3.68	-71.17
CCC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492005	0	55	0.0	-79.80	444.54	4.04	-75.76
CCC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492005	1	55	0.0	-78.91	444.50	4.02	-74.89
CCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492006	0	52	0.0	-73.37	422.19	3.47	-69.90
CCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492006	1	52	0.0	-76.32	422.18	3.47	-72.85
C[NH+](C)CC1(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300024492045	0	53	0.0	-75.18	431.07	3.56	-71.62
CC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492051	0	52	0.0	-78.14	423.01	3.28	-74.86
CC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492051	1	52	0.0	-78.14	423.01	3.27	-74.87
C[NH+]1CCC(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300024492075	0	53	0.0	-81.48	426.43	3.55	-77.93
CC(C)[C@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024492090	0	55	0.0	-75.18	425.95	3.52	-71.66
C[NH+](C)C1(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CCC1	REAL300024492114	0	53	0.0	-81.97	414.42	3.17	-78.80
CC1CCC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492139	0	53	0.0	-70.82	427.08	3.78	-67.04
CC1CCC[N@H+]1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492139	1	53	0.0	-70.79	427.05	3.78	-67.01
CC(C)[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024492150	0	55	0.0	-71.22	425.09	3.68	-67.54
CC1CC[N@H+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024492158	0	53	0.0	-72.84	427.92	3.73	-69.11
CC1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024492158	1	53	0.0	-75.66	429.07	3.79	-71.87
CC[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024492160	0	52	0.0	-73.72	408.78	2.80	-70.92
CC1=[NH+]C=CN1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492199	1	48	0.0	-73.53	411.34	3.62	-69.91
CC1=C[NH+]=CN1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492217	1	48	0.0	-75.42	412.71	4.38	-71.04
C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300024492218	0	53	0.0	-83.35	418.02	2.91	-80.44
C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300024492218	1	53	0.0	-79.76	423.29	3.55	-76.21
C[N@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300024492250	0	53	0.0	-74.14	429.05	4.03	-70.11
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300024492250	1	53	0.0	-70.91	429.31	3.99	-66.92
C[NH+]1CCC(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300024492257	0	53	0.0	-81.48	426.43	3.55	-77.93
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492270	0	50	0.0	-76.45	401.58	2.53	-73.92
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492270	1	50	0.0	-70.13	405.31	2.81	-67.32
C[N@@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492313	0	53	0.0	-71.39	410.62	3.09	-68.30
C[N@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492313	1	53	0.0	-70.26	422.42	3.55	-66.71
CC1C(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300024492342	0	53	0.0	-74.38	419.31	3.27	-71.11
CC1C(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300024492342	1	53	0.0	-76.70	421.20	3.05	-73.65
C[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024492383	0	49	0.0	-71.14	399.78	2.32	-68.82
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)CC[NH+]1CCCC1)C2	REAL300024492401	0	53	0.0	-78.72	429.93	3.75	-74.97
C[N@H+](CCO)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492406	1	50	0.0	-76.95	411.03	-0.52	-77.47
C[N@@H+](CCO)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492406	1	50	0.0	-73.47	410.83	-0.51	-73.98
CC1C[NH+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024492452	1	50	0.0	-77.37	413.16	3.03	-74.34
CC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492486	0	49	0.0	-72.89	400.69	2.72	-70.17
CC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492486	1	49	0.0	-76.05	400.68	2.72	-73.33
COCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492539	1	53	0.0	-73.27	433.09	1.89	-71.38
COCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492539	1	53	0.0	-77.22	433.28	1.88	-75.34
CC(CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024492541	0	55	0.0	-82.42	436.55	3.79	-78.63
CC[N@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300024492546	0	53	0.0	-73.05	431.12	4.05	-69.00
CC[N@@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300024492546	1	53	0.0	-74.12	426.29	3.78	-70.34
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C1)C2	REAL300024492559	0	51	0.0	-68.54	404.58	3.30	-65.24
C[N@H+]1CC2CC1(C(=O)N1CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C1)C2	REAL300024492559	1	51	0.0	-74.60	409.24	3.14	-71.46
CC(C[NH+](C)C)C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492568	0	52	0.0	-70.79	419.71	3.12	-67.67
C[NH+](C)C1(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300024492574	0	50	0.0	-74.30	403.50	2.31	-71.99
C[C@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024492584	0	49	0.0	-74.84	398.13	2.23	-72.61
CC[N@@H+]1CCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492587	1	50	0.0	-75.44	402.80	2.57	-72.87
CC[N@H+]1CCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492587	1	50	0.0	-72.99	413.09	2.93	-70.06
NC1=CC=[NH+]C=C1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492602	0	46	0.0	-74.23	389.79	-0.05	-74.28
CCCC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024492606	0	55	0.0	-71.79	432.02	3.71	-68.08
C[NH+](C)C(C)(C)C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492609	0	52	0.0	-80.48	401.52	2.60	-77.88
CC(CC[NH+](C)C)C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492618	0	55	0.0	-78.04	443.44	3.80	-74.24
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C[NH+]1CC3CC3C1)C2	REAL300024492678	0	51	0.0	-72.47	418.53	3.88	-68.59
C[N@@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492688	0	53	0.0	-71.39	410.62	3.09	-68.30
C[N@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492688	1	53	0.0	-70.26	422.42	3.55	-66.71
C[N@@H+]1CCC(=CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024492716	0	51	0.0	-81.74	419.85	3.50	-78.24
C[N@H+]1CCC(=CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024492716	1	51	0.0	-80.88	419.53	3.53	-77.35
[N-]=[N+]=NCC(=O)N1CCC2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300024492723	0	40	0.0	-27.33	359.87	-2.37	-29.70
CCC1C[NH+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024492739	0	53	0.0	-78.46	434.54	3.80	-74.66
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492744	0	50	0.0	-70.53	404.28	2.88	-67.65
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492744	1	50	0.0	-72.09	400.58	2.51	-69.58
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024492787	0	53	0.0	-74.28	431.24	3.72	-70.56
C[NH+](C)CCOCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492804	0	53	0.0	-76.99	437.47	3.12	-73.87
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C[NH+]1CCCCC1)C2	REAL300024492838	0	53	0.0	-76.07	424.66	3.91	-72.16
C[N@@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024492839	0	53	0.0	-71.20	418.96	3.64	-67.56
C[N@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024492839	1	53	0.0	-75.38	418.82	3.70	-71.68
CN1C=C[N+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=C1	REAL300024492840	0	48	0.0	-70.63	414.30	5.50	-65.13
C[N@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300024492850	0	50	0.0	-73.41	410.87	3.41	-70.00
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300024492850	1	50	0.0	-73.31	412.32	3.45	-69.86
CC(CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C[NH+](C)C	REAL300024492858	0	55	0.0	-79.34	438.78	4.02	-75.32
C[NH+]1CC(CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024492908	0	50	0.0	-77.98	414.24	2.89	-75.09
C[NH+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492915	0	46	0.0	-75.97	382.91	2.04	-73.93
C[N@H+](CCO)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492925	0	53	0.0	-78.87	433.39	0.07	-78.80
C[N@@H+](CCO)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492925	1	53	0.0	-77.44	433.35	0.04	-77.40
C[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024492926	0	49	0.0	-71.14	399.78	2.32	-68.82
CC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CC(C)C1	REAL300024492940	0	53	0.0	-71.28	431.06	3.52	-67.76
CC1CC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492941	1	50	0.0	-71.10	414.36	3.06	-68.04
CC1CC[N@H+]1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492941	1	50	0.0	-75.10	414.27	3.17	-71.93
C[NH+](C)CC=CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492943	0	50	0.0	-82.91	417.90	3.23	-79.68
CC1(C)C[NH+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024492947	1	53	0.0	-73.82	432.47	3.61	-70.21
CC[NH+](CC)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492963	0	52	0.0	-74.10	414.49	3.11	-70.99
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C[NH+]1CCC1)C2	REAL300024492968	1	47	0.0	-77.60	392.17	2.42	-75.18
CC[NH+](CC)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024492988	0	55	0.0	-77.28	440.86	3.97	-73.31
CC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300024493017	1	50	0.0	-74.89	410.14	2.88	-72.01
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024493021	0	55	0.0	-75.96	420.90	3.60	-72.36
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024493042	0	53	0.0	-71.32	410.65	3.08	-68.24
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024493042	1	53	0.0	-70.22	422.41	3.55	-66.67
C[NH+](C)CC(O)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024493052	0	53	0.0	-83.05	435.42	1.12	-81.93
C=CCC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024493064	0	53	0.0	-70.17	423.92	3.40	-66.77
NC(=[NH2+])SCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024493087	0	44	0.0	-71.25	390.86	-0.99	-72.24
CCC1C[NH+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024493147	1	53	0.0	-76.20	435.58	3.91	-72.29
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024493151	0	50	0.0	-71.34	405.02	2.90	-68.44
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024493151	1	50	0.0	-73.54	400.85	2.51	-71.03
O=C(C[NH+]1CCCCC1)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024493158	0	53	0.0	-68.00	424.68	3.92	-64.08
CC1C(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300024493162	0	53	0.0	-71.99	420.15	3.38	-68.61
CC1C(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300024493162	1	53	0.0	-71.19	424.61	3.64	-67.55
C[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024493303	0	53	0.0	-64.31	422.74	1.80	-62.51
C[N@H+]1CCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024493303	1	53	0.0	-64.68	423.37	1.88	-62.80
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024493396	0	53	0.0	-65.53	417.03	1.39	-64.14
C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024493396	1	53	0.0	-64.37	423.23	1.83	-62.54
C[NH+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024493471	0	49	0.0	-68.04	397.05	0.84	-67.20
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1)[NH+]1CCC1	REAL300024493475	1	53	0.0	-66.16	427.34	1.72	-64.44
C[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1)C1CC1	REAL300024493480	0	53	0.0	-64.60	426.31	2.25	-62.35
C[N@@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1)C1CC1	REAL300024493480	1	53	0.0	-64.83	426.75	2.19	-62.64
C[NH+]1CC(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCCO2)C1	REAL300024493485	0	53	0.0	-70.45	428.49	1.67	-68.78
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1)[NH+](C)C	REAL300024493492	0	52	0.0	-65.42	415.45	1.18	-64.24
[N-]=[N+]=NCC(=O)NCC1CN(C(=O)CSC2=NC(=O)NN2)CCCO1	REAL300024493495	0	43	0.0	-22.86	374.34	-3.62	-26.48
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1)[NH+](C)C	REAL300024493512	0	52	0.0	-65.42	415.45	1.18	-64.24
C[C@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1)[NH+](C)C	REAL300024493532	0	52	0.0	-65.58	415.18	1.26	-64.32
CC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCCO2)C1	REAL300024493538	1	53	0.0	-68.05	427.13	2.00	-66.05
CC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024493553	0	52	0.0	-66.93	415.07	1.45	-65.48
CC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024493553	1	52	0.0	-66.81	415.07	1.46	-65.35
C[NH+](C)CC=CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024493568	0	53	0.0	-73.83	434.27	2.09	-71.74
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024493572	1	53	0.0	-64.95	421.18	1.64	-63.31
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024493572	1	53	0.0	-66.17	428.97	1.81	-64.36
C[NH+](C)C1(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCCO2)CC1	REAL300024493601	0	53	0.0	-69.54	420.49	1.99	-67.55
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024493624	1	53	0.0	-65.30	423.12	1.60	-63.70
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024493624	1	53	0.0	-65.45	423.45	1.72	-63.73
C[N@@H+]1CCCC1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024493724	0	53	0.0	-73.93	415.68	1.18	-72.75
C[N@H+]1CCCC1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024493724	1	53	0.0	-71.90	422.07	1.61	-70.29
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024493874	0	53	0.0	-74.53	414.19	1.14	-73.39
C[N@H+]1CCC[C@@H]1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024493874	1	53	0.0	-71.50	420.04	1.52	-69.98
C[C@@H](C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024493925	0	52	0.0	-72.70	411.78	1.09	-71.61
CC1C[NH+](CC(=O)N2CCCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024493946	1	53	0.0	-75.01	428.40	1.86	-73.15
CC[N@H+](C)CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024493963	0	52	0.0	-74.62	414.78	1.42	-73.20
CC[N@@H+](C)CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024493963	1	52	0.0	-74.71	414.75	1.40	-73.31
C[NH+](C)C1(C(=O)N2CCCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024493989	0	53	0.0	-76.80	415.99	1.07	-75.73
C[C@H](C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024493993	0	52	0.0	-72.70	412.88	1.05	-71.65
CC[N@@H+]1CCC1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024493995	1	53	0.0	-72.17	420.66	1.34	-70.83
CC[N@H+]1CCC1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024493995	1	53	0.0	-74.05	427.14	1.68	-72.37
[N-]=[N+]=NCC(=O)N1CCCOC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024494040	0	43	0.0	-23.75	374.02	-3.66	-27.41
C[N@@H+]1CCC[C@H]1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024494051	0	53	0.0	-71.37	422.01	1.57	-69.80
C[N@H+]1CCC[C@H]1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024494051	1	53	0.0	-73.09	415.74	1.25	-71.84
C[N@H+](CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024494082	0	53	0.0	-71.72	426.31	2.17	-69.55
C[N@@H+](CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024494082	1	53	0.0	-72.50	426.73	2.10	-70.40
C[NH+]1CC(CC(=O)N2CCCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024494104	0	53	0.0	-75.71	428.34	1.62	-74.09
C[NH+](C)CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024494107	0	49	0.0	-75.30	397.05	0.75	-74.55
C[C@@H](C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024494110	0	52	0.0	-72.70	411.78	1.09	-71.61
CC1CC[N@@H+]1CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024494117	1	53	0.0	-72.61	423.12	1.52	-71.09
CC1CC[N@H+]1CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024494117	1	53	0.0	-73.82	428.74	1.77	-72.05
C[NH+](C)CC=CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024494118	0	53	0.0	-73.87	432.25	1.99	-71.88
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CCC2)CCCO1	REAL300024494124	1	50	0.0	-75.18	407.63	1.16	-74.02
CC(C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024494141	1	53	0.0	-73.73	417.03	1.32	-72.41
C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024494195	0	53	0.0	-64.69	423.10	1.88	-62.81
C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024494195	1	53	0.0	-65.23	417.35	1.32	-63.91
COCCC1(NC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024494241	0	49	0.0	-26.45	403.98	-2.64	-29.09
COCCC1(NC(=O)CSC2=NC(=O)NN2)CCN(C(=O)CN=[N+]=[N-])CC1	REAL300024494286	0	49	0.0	-24.24	404.48	-2.65	-26.89
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCC[N@@H+]1C	REAL300024494455	0	51	0.0	-59.88	394.07	2.45	-57.43
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCC[N@H+]1C	REAL300024494455	1	51	0.0	-58.87	402.34	2.98	-55.89
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1C[N@H+](C)CCO1	REAL300024494479	1	52	0.0	-65.72	413.76	2.43	-63.29
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1C[N@@H+](C)CCO1	REAL300024494479	1	52	0.0	-65.56	416.13	1.93	-63.63
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCC[N@@H+]1C(C)C	REAL300024494622	0	57	0.0	-56.78	433.16	4.04	-52.74
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCC[N@H+]1C(C)C	REAL300024494622	1	57	0.0	-57.39	429.17	4.25	-53.14
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CN1C=C[NH+]=C1C	REAL300024494644	1	49	0.0	-59.07	405.79	3.59	-55.48
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1C[NH+]2CCC1CC2	REAL300024494662	0	55	0.0	-63.06	419.94	3.29	-59.77
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024494688	0	54	0.0	-62.16	408.19	2.83	-59.33
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024494688	1	54	0.0	-61.73	414.15	3.12	-58.61
CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024494690	0	57	0.0	-62.12	433.80	3.66	-58.46
CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024494690	1	57	0.0	-62.02	440.89	3.50	-58.52
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[NH+]1C(C)CCC1C	REAL300024494737	0	57	0.0	-57.00	430.79	3.77	-53.23
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CCC[NH+]1CCCC1	REAL300024494739	0	57	0.0	-62.94	446.21	4.50	-58.44
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC[NH+]1CCCCC1	REAL300024494741	0	57	0.0	-61.91	439.92	4.37	-57.54
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCCC[N@@H+]1CC	REAL300024494744	0	57	0.0	-57.04	436.17	4.19	-52.85
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCCC[N@H+]1CC	REAL300024494744	1	57	0.0	-57.79	421.96	3.88	-53.91
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1	REAL300024494753	0	54	0.0	-58.35	410.31	3.17	-55.18
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C	REAL300024494759	0	56	0.0	-60.13	426.46	3.19	-56.94
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1	REAL300024494777	0	54	0.0	-59.35	422.50	3.95	-55.40
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1	REAL300024494777	1	54	0.0	-59.35	422.60	3.96	-55.39
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024494827	1	53	0.0	-57.84	420.37	3.65	-54.19
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024494827	1	53	0.0	-58.45	428.75	4.26	-54.19
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CCC1CCC[N@@H+]1C	REAL300024494832	0	57	0.0	-63.09	440.65	3.51	-59.58
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CCC1CCC[N@H+]1C	REAL300024494832	1	57	0.0	-61.91	446.10	3.98	-57.93
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1	REAL300024494848	0	54	0.0	-64.13	423.29	3.15	-60.98
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCCC[N@@H+]1C	REAL300024494871	0	54	0.0	-58.57	418.33	3.56	-55.01
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCCC[N@H+]1C	REAL300024494871	1	54	0.0	-58.52	418.34	3.56	-54.96
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CN1C=[NH+]C=C1C	REAL300024494929	1	49	0.0	-61.57	405.09	4.27	-57.30
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2	REAL300024494945	0	55	0.0	-56.14	423.31	3.48	-52.66
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC1CC[N@H+](C)C1	REAL300024494950	0	54	0.0	-64.37	422.70	3.56	-60.81
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC1CC[N@@H+](C)C1	REAL300024494950	1	54	0.0	-64.13	423.17	3.52	-60.61
CCC(C(=O)NC[C@@H](C)N(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024494956	0	53	0.0	-60.01	409.43	2.43	-57.58
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CCCC[NH+](C)C	REAL300024494997	0	56	0.0	-65.38	444.08	3.62	-61.76
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C(C(C)C)[NH+](C)C	REAL300024495007	0	56	0.0	-59.68	422.31	2.93	-56.75
CCC[N@H+](C)CCC(=O)NC[C@@H](C)N(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024495008	0	56	0.0	-62.94	437.97	3.92	-59.02
CCC[N@@H+](C)CCC(=O)NC[C@@H](C)N(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024495008	1	56	0.0	-63.48	440.31	3.44	-60.04
CCC[N@H+](C)CC(=O)NC[C@@H](C)N(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024495011	0	53	0.0	-61.58	417.94	2.89	-58.69
CCC[N@@H+](C)CC(=O)NC[C@@H](C)N(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024495011	1	53	0.0	-61.07	415.60	3.38	-57.69
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C12CC[N@H+](C1)CCC2	REAL300024495020	0	55	0.0	-61.88	418.31	3.20	-58.68
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300024495020	1	55	0.0	-62.92	420.35	2.69	-60.23
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300024495041	0	51	0.0	-58.69	399.36	2.97	-55.72
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C	REAL300024495041	1	51	0.0	-59.71	396.39	2.51	-57.20
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[NH+](CC)CC	REAL300024495068	0	53	0.0	-59.86	410.30	2.57	-57.29
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1	REAL300024495121	0	57	0.0	-60.51	438.95	4.46	-56.05
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1	REAL300024495139	0	54	0.0	-59.69	430.46	3.11	-56.58
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1	REAL300024495185	0	54	0.0	-64.13	423.29	3.15	-60.98
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C	REAL300024495200	0	56	0.0	-59.72	423.74	2.96	-56.76
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC[N@H+](C)CC	REAL300024495256	0	53	0.0	-62.42	416.48	3.18	-59.24
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC[N@@H+](C)CC	REAL300024495256	1	53	0.0	-62.34	416.47	3.19	-59.15
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@@H+]1CCCC1C	REAL300024495278	0	54	0.0	-58.20	421.72	3.76	-54.44
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@H+]1CCCC1C	REAL300024495278	1	54	0.0	-57.92	422.42	3.63	-54.29
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)C1	REAL300024495279	0	54	0.0	-60.02	421.76	3.73	-56.29
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@H+]1CCC(C)C1	REAL300024495279	1	54	0.0	-59.98	422.46	3.72	-56.26
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024495280	0	57	0.0	-60.58	444.23	3.73	-56.85
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1	REAL300024495280	1	57	0.0	-59.90	441.60	4.21	-55.69
CC[C@@H](C(=O)NC[C@@H](C)N(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024495287	0	53	0.0	-59.30	407.03	2.96	-56.34
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[NH+](C)C	REAL300024495357	0	47	0.0	-62.18	378.72	1.48	-60.70
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[NH+]1CCCCCC1	REAL300024495360	0	57	0.0	-60.40	427.44	4.02	-56.38
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N+]1=CN(C)C=C1	REAL300024495362	0	49	0.0	-59.84	407.62	5.48	-54.36
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCC[N@H+](C)C1	REAL300024495365	0	54	0.0	-62.59	420.94	3.58	-59.01
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCC[N@@H+](C)C1	REAL300024495365	1	54	0.0	-62.59	420.97	3.59	-59.00
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300024495370	0	55	0.0	-56.14	433.12	4.37	-51.77
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCC[N@H+]1C1CC1	REAL300024495370	1	55	0.0	-56.10	428.91	4.30	-51.80
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C(C)[NH+]1CCC1	REAL300024495380	1	51	0.0	-59.07	404.53	3.04	-56.03
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C(C)(C)C[NH+](C)C	REAL300024495388	0	56	0.0	-62.79	425.91	3.16	-59.63
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@H+](C)C1CC1	REAL300024495399	0	51	0.0	-58.75	405.65	3.38	-55.37
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@@H+](C)C1CC1	REAL300024495399	1	51	0.0	-59.04	405.79	3.38	-55.66
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC1C[NH+](C)C1	REAL300024495413	0	51	0.0	-63.84	410.15	2.30	-61.54
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024495423	0	57	0.0	-57.46	411.78	2.76	-54.70
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300024495423	1	57	0.0	-57.75	416.10	3.35	-54.40
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)[C@H](C)[NH+](C)C	REAL300024495432	0	50	0.0	-59.95	394.49	2.37	-57.58
CCN(C(=O)CSC1=NC(=O)NN1)[C@H](C)CNC(=O)CN=[N+]=[N-]	REAL300024495439	0	41	0.0	-21.02	355.67	-2.92	-23.94
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CN1C=CSC1=[NH2+]	REAL300024495480	0	47	0.0	-58.07	403.46	2.15	-55.92
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC[N@H+](C)CCO	REAL300024495485	0	54	0.0	-62.74	426.83	-0.05	-62.79
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC[N@@H+](C)CCO	REAL300024495485	1	54	0.0	-62.83	429.14	-0.54	-63.37
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)[C@H](C)[NH+](C)C	REAL300024495486	0	50	0.0	-59.95	394.49	2.37	-57.58
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024495489	0	54	0.0	-58.53	418.32	3.56	-54.97
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C	REAL300024495489	1	54	0.0	-59.34	404.27	3.24	-56.10
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[NH+]1CCC1	REAL300024495533	1	48	0.0	-61.07	386.48	2.39	-58.68
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C=C1CC[N@H+](C)C1	REAL300024495545	0	52	0.0	-66.58	415.21	3.51	-63.07
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C=C1CC[N@@H+](C)C1	REAL300024495545	1	52	0.0	-66.49	415.23	3.52	-62.97
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)COCC[NH+](C)C	REAL300024495563	0	54	0.0	-64.11	434.58	2.55	-61.56
C=CCC(C)(C(=O)NC[C@@H](C)N(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024495574	0	57	0.0	-59.23	433.42	3.73	-55.50
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CN1CC(C)C1	REAL300024495605	0	51	0.0	-60.95	407.65	3.07	-57.88
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[NH+]1CC(C)C1	REAL300024495605	1	51	0.0	-60.95	407.65	3.07	-57.88
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CN(C)CCO	REAL300024495621	0	51	0.0	-62.00	406.80	-1.08	-63.08
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@H+](C)CCO	REAL300024495621	1	51	0.0	-61.32	406.57	-1.09	-62.41
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@@H+](C)CCO	REAL300024495621	1	51	0.0	-61.32	406.57	-1.09	-62.41
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCC[N@H+](CC)C1	REAL300024495638	0	57	0.0	-60.93	438.62	4.24	-56.69
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCC[N@@H+](CC)C1	REAL300024495638	1	57	0.0	-60.93	438.62	4.24	-56.69
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC(C)C[NH+](C)C	REAL300024495640	0	56	0.0	-64.72	435.90	3.49	-61.23
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@H+](C)CC	REAL300024495643	0	50	0.0	-60.63	394.11	2.65	-57.98
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@H+](CC)C1CC1	REAL300024495666	0	54	0.0	-57.67	421.62	3.77	-53.90
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC[NH+](CC)CC	REAL300024495674	0	56	0.0	-61.88	436.66	3.42	-58.46
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C=CC[NH+](C)C	REAL300024495702	0	51	0.0	-66.30	415.94	2.73	-63.57
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CN(C)CCOC	REAL300024495715	0	54	0.0	-61.78	429.05	1.32	-60.46
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@H+](C)CCOC	REAL300024495715	1	54	0.0	-61.23	428.82	1.32	-59.91
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@@H+](C)CCOC	REAL300024495715	1	54	0.0	-61.23	428.82	1.32	-59.91
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1([NH+](C)C)CCCC1	REAL300024495731	0	57	0.0	-57.74	427.78	4.27	-53.47
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CCC(C)[NH+](C)C	REAL300024495733	0	56	0.0	-63.21	432.36	3.22	-59.99
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCN1CC	REAL300024495739	0	51	0.0	-59.50	407.96	2.98	-56.52
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CC[N@@H+]1CC	REAL300024495739	1	51	0.0	-59.56	408.05	2.94	-56.62
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CC[N@H+]1CC	REAL300024495739	1	51	0.0	-59.56	408.05	2.94	-56.62
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1(C)CC[NH+](C)CC1	REAL300024495763	0	57	0.0	-61.78	433.64	4.05	-57.73
C=CCC(C(=O)NC[C@@H](C)N(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024495779	0	54	0.0	-59.55	425.33	3.16	-56.39
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024495786	0	57	0.0	-59.35	436.28	3.68	-55.67
CCCC(C(=O)NC[C@@H](C)N(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024495803	0	56	0.0	-60.52	432.82	3.40	-57.12
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C	REAL300024495806	0	53	0.0	-58.43	406.18	2.63	-55.80
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CCCC[N@@H+]1C	REAL300024495826	0	54	0.0	-58.52	418.34	3.56	-54.96
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC1=CC[N@H+](C)CC1	REAL300024495845	0	55	0.0	-64.43	437.84	3.81	-60.62
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC1=CC[N@@H+](C)CC1	REAL300024495845	1	55	0.0	-64.43	437.84	3.81	-60.62
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C=CC[NH+]1CCCC1	REAL300024495874	0	55	0.0	-64.05	436.94	4.25	-59.80
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC[NH+]1CCCC1	REAL300024495899	0	54	0.0	-62.11	423.10	3.57	-58.54
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1C[NH+]2CCN1CC2	REAL300024495919	0	54	0.0	-64.47	415.02	-0.04	-64.51
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C12CC(C1)C[N@@H+]2C	REAL300024495923	0	52	0.0	-67.52	407.10	2.74	-64.78
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@@H+]1CC2CCC1C2	REAL300024495928	0	55	0.0	-58.46	420.28	3.86	-54.60
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@H+]1CC2CCC1C2	REAL300024495928	1	55	0.0	-58.46	420.28	3.86	-54.60
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CN1CC2C=CC1C2	REAL300024495962	0	53	0.0	-58.62	415.23	3.82	-54.80
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024495962	1	53	0.0	-59.13	418.01	3.44	-55.69
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@H+]1CC2C=CC1C2	REAL300024495962	1	53	0.0	-59.13	418.01	3.44	-55.69
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C(C)C[NH+](C)C	REAL300024495989	0	53	0.0	-63.15	417.12	2.75	-60.40
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC1CCCC[N@@H+]1C	REAL300024496025	0	57	0.0	-57.53	428.15	4.04	-53.49
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC1CCCC[N@H+]1C	REAL300024496025	1	57	0.0	-57.53	428.15	4.04	-53.49
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C(C)N1CC(C)C1	REAL300024496034	0	54	0.0	-58.63	424.00	3.70	-54.93
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C(C)[NH+]1CC(C)C1	REAL300024496034	1	54	0.0	-58.63	424.00	3.70	-54.93
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CN1CCC1C	REAL300024496036	0	51	0.0	-60.26	410.04	2.57	-57.69
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@@H+]1CCC1C	REAL300024496036	1	51	0.0	-59.10	402.15	2.79	-56.31
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C[N@H+]1CCC1C	REAL300024496036	1	51	0.0	-59.10	402.15	2.79	-56.31
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC(O)C[NH+](C)C	REAL300024496038	0	54	0.0	-66.97	431.19	0.53	-66.44
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024496090	0	54	0.0	-62.95	426.11	3.69	-59.26
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C(C)CC[NH+](C)C	REAL300024496094	0	56	0.0	-64.75	438.76	3.36	-61.39
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CN1CCN(C)CC1	REAL300024496109	0	56	0.0	-65.03	437.70	0.99	-64.04
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CN1CC[NH+](C)CC1	REAL300024496109	1	56	0.0	-65.03	437.70	0.99	-64.04
CCN(C(=O)C1CCC[N@@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496278	0	51	0.0	-66.79	404.10	2.88	-63.91
CCN(C(=O)C1CCC[N@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496278	1	51	0.0	-62.89	397.99	2.66	-60.23
CCN(C(=O)CC1CC[N@H+](C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496475	0	54	0.0	-69.13	424.55	3.05	-66.08
CCN(C(=O)CC1CC[N@@H+](C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496475	1	54	0.0	-68.86	425.70	3.03	-65.83
CCC(C(=O)N(CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024496481	0	53	0.0	-64.74	408.16	3.04	-61.70
CCN(C(=O)CCCC[NH+](C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496508	0	56	0.0	-68.65	444.08	3.59	-65.06
CCC[N@H+](C)CCC(=O)N(CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496520	0	56	0.0	-68.81	440.30	3.42	-65.39
CCC[N@@H+](C)CCC(=O)N(CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496520	1	56	0.0	-69.07	440.31	3.41	-65.66
CCC[N@H+](C)CC(=O)N(CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496522	0	53	0.0	-67.94	415.61	3.30	-64.64
CCC[N@@H+](C)CC(=O)N(CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496522	1	53	0.0	-67.68	415.62	3.30	-64.38
CCN(C(=O)C12CC[N@H+](C1)CCC2)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496529	0	55	0.0	-77.64	409.66	2.43	-75.21
CCN(C(=O)C12CC[N@@H+](C1)CCC2)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496529	1	55	0.0	-77.82	406.31	2.56	-75.26
CCN(C(=O)C[NH+]1CCC(C)CC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496551	0	57	0.0	-68.14	439.16	4.36	-63.78
CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496579	0	54	0.0	-61.49	419.63	3.42	-58.07
CCN(C(=O)CC[N@H+](C)CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496593	0	53	0.0	-69.05	416.48	3.16	-65.89
CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496593	1	53	0.0	-68.86	416.48	3.15	-65.71
CCN(C(=O)C1C[NH+]2CCC1CC2)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496603	0	55	0.0	-74.14	413.33	3.43	-70.71
CCN(C(=O)C1CC[NH+](C)CC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496632	0	54	0.0	-73.54	416.70	3.73	-69.81
CCN(C(=O)C[N@@H+]1CCCC1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496712	0	54	0.0	-63.72	417.46	2.79	-60.93
CCN(C(=O)C[N@H+]1CCCC1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496712	1	54	0.0	-63.74	424.72	3.07	-60.67
CCN(C(=O)C1CCC[N@@H+]1C(C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496737	0	57	0.0	-62.24	422.62	3.45	-58.79
CCN(C(=O)C1CCC[N@H+]1C(C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496737	1	57	0.0	-62.09	433.87	3.19	-58.90
CCN(C(=O)C[N@@H+]1CCC(C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496751	0	54	0.0	-66.14	424.10	3.16	-62.98
CCN(C(=O)C[N@H+]1CCC(C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496751	1	54	0.0	-66.63	421.70	3.57	-63.06
CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496752	0	57	0.0	-67.20	441.95	4.14	-63.06
CCN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496752	1	57	0.0	-67.17	441.62	4.11	-63.06
CC[C@@H](C(=O)N(CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024496758	0	53	0.0	-67.79	400.18	3.18	-64.61
CCN(C(=O)CN1C=C[NH+]=C1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496828	1	49	0.0	-64.24	405.81	3.49	-60.75
CCN(C(=O)CN1C=[NH+]C=C1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496876	1	49	0.0	-64.47	408.47	3.73	-60.74
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496879	0	54	0.0	-65.93	409.90	2.75	-63.18
CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496879	1	54	0.0	-75.07	421.54	2.79	-72.28
CC[C@@H]1[C@@H](C(=O)N(CC)[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024496881	0	57	0.0	-72.28	433.04	3.49	-68.79
CC[C@@H]1[C@@H](C(=O)N(CC)[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024496881	1	57	0.0	-69.49	439.60	4.05	-65.44
CCN(C(=O)C[NH+]1C(C)CCC1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496885	0	57	0.0	-63.75	433.35	3.90	-59.85
CCN(C(=O)CCC[NH+]1CCCC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496887	0	57	0.0	-67.78	446.21	4.47	-63.31
CCN(C(=O)CC[NH+]1CCCCC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496890	0	57	0.0	-68.31	440.38	4.37	-63.94
CCN(C(=O)C[N@H+](C)C1CCC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496954	0	54	0.0	-65.57	422.50	3.86	-61.71
CCN(C(=O)C[N@@H+](C)C1CCC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496954	1	54	0.0	-66.10	422.60	3.87	-62.23
CCN(C(=O)C1CC[NH+](C)CC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496972	0	54	0.0	-73.54	416.70	3.73	-69.81
CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496989	0	51	0.0	-66.03	403.07	2.82	-63.21
CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496989	1	51	0.0	-67.60	396.14	2.41	-65.19
CCN(C(=O)CCC1CCC[N@@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497007	0	57	0.0	-65.60	440.66	3.48	-62.12
CCN(C(=O)CCC1CCC[N@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497007	1	57	0.0	-67.80	442.29	3.80	-64.00
CCN(C(=O)C1CC[N@H+](C)C1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497091	0	54	0.0	-68.91	419.08	3.12	-65.79
CCN(C(=O)C1CC[N@@H+](C)C1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497091	1	54	0.0	-71.23	426.90	2.87	-68.36
CCN(C(=O)C1CC[N@@H+]1C(C)(C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497127	0	57	0.0	-62.43	438.82	3.05	-59.38
CCN(C(=O)C1CC[N@H+]1C(C)(C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497127	1	57	0.0	-63.11	420.08	2.52	-60.59
CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497139	0	50	0.0	-64.22	390.53	2.20	-62.02
C=CCC(C)(C(=O)N(CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024497151	0	57	0.0	-61.25	417.03	3.33	-57.92
CCN(C(=O)CC[NH+]1CCCC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497163	0	54	0.0	-68.34	424.71	3.65	-64.69
CCN(C(=O)C[N@H+](C)CCO)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497169	1	51	0.0	-67.47	404.47	-0.69	-68.16
CCN(C(=O)C[N@@H+](C)CCO)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497169	1	51	0.0	-68.06	404.25	-0.69	-68.75
CCN(C(=O)CC1=CC[N@H+](C)CC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497210	0	55	0.0	-66.07	435.52	4.26	-61.81
CCN(C(=O)CC1=CC[N@@H+](C)CC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497210	1	55	0.0	-64.87	435.53	4.25	-60.62
CCN(C(=O)C[NH+]1CC(C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497247	1	51	0.0	-67.68	406.46	3.04	-64.64
CCN(C(=O)C1CCC[N@H+](CC)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497250	0	57	0.0	-70.77	434.37	4.35	-66.42
CCN(C(=O)C1CCC[N@@H+](CC)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497250	1	57	0.0	-68.28	438.42	3.48	-64.80
CCN(C(=O)C1CCC[N@@H+]1C1CC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497260	0	55	0.0	-61.82	416.35	3.17	-58.65
CCN(C(=O)C1CCC[N@H+]1C1CC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497260	1	55	0.0	-65.49	425.07	3.67	-61.82
CCN(C(=O)C=CC[NH+]1CCCC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497276	0	55	0.0	-69.41	439.70	4.39	-65.02
CCN(C(=O)C[N@H+](C)CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497303	0	50	0.0	-67.36	394.11	2.56	-64.80
CCN(C(=O)CN1CC2C=CC1C2)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497327	0	53	0.0	-65.29	415.17	3.76	-61.53
CCN(C(=O)C[N@@H+]1CC2C=CC1C2)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497327	1	53	0.0	-64.85	417.94	3.38	-61.47
CCN(C(=O)C[N@H+]1CC2C=CC1C2)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497327	1	53	0.0	-64.85	417.94	3.38	-61.47
CCN(C(=O)CN(C)CCOC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497390	0	54	0.0	-67.65	426.72	1.72	-65.93
CCN(C(=O)C[N@H+](C)CCOC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497390	1	54	0.0	-68.30	426.50	1.72	-66.58
CCN(C(=O)C[N@@H+](C)CCOC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497390	1	54	0.0	-68.30	426.50	1.72	-66.58
CCN(C(=O)CCC(C)[NH+](C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497393	0	56	0.0	-67.61	433.74	3.69	-63.92
CCN(C(=O)C[N@H+](CC)C1CC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497404	0	54	0.0	-64.30	424.98	3.92	-60.38
CCN(C(=O)C[N@@H+]1CC2CCC1C2)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497432	0	55	0.0	-64.28	420.53	3.80	-60.48
CCN(C(=O)C[N@H+]1CC2CCC1C2)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497432	1	55	0.0	-64.28	420.53	3.80	-60.48
CCN(C(=O)C(C)C[NH+](C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497444	0	53	0.0	-63.10	411.48	2.83	-60.27
CCN(C(=O)C1CC[N@@H+]1CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497466	0	51	0.0	-66.58	406.43	2.77	-63.81
CCCC(C(=O)N(CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024497497	0	56	0.0	-68.80	424.98	3.69	-65.11
CCN(C(=O)C(C)CC[NH+](C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497512	0	56	0.0	-72.65	432.13	3.96	-68.69
CCN(C(=O)C1CC(C)(C)C[N@@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497555	0	57	0.0	-62.17	441.03	3.88	-58.29
CCN(C(=O)C1CC(C)(C)C[N@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497555	1	57	0.0	-62.17	441.03	3.88	-58.29
CCN(C(=O)CN1CCN(C)CC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497562	0	56	0.0	-65.72	435.40	1.38	-64.34
CCN(C(=O)CN1CC[NH+](C)CC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497562	1	56	0.0	-65.72	435.40	1.38	-64.34
CCN(C(=O)C[NH+]1CC2CC2C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497619	0	52	0.0	-66.52	413.21	3.24	-63.28
CCN(C(=O)C1CCCC[N@@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497630	0	54	0.0	-61.94	414.98	3.39	-58.55
CCN(C(=O)C=C1CC[N@H+](C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497673	0	52	0.0	-70.18	415.29	3.54	-66.64
CCN(C(=O)C=C1CC[N@@H+](C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497673	1	52	0.0	-70.18	415.29	3.54	-66.64
CCN(C(=O)CNC1=CC=[NH+]C=C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497675	0	50	0.0	-66.78	412.10	1.15	-65.63
CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497725	0	51	0.0	-62.87	398.03	2.67	-60.20
CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497725	1	51	0.0	-62.87	398.03	2.67	-60.20
CCN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497790	0	54	0.0	-73.40	428.48	3.76	-69.64
CCN(C(=O)CC1CC=CC[N@@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497797	0	55	0.0	-71.38	427.43	3.98	-67.40
CCN(C(=O)CC1CC=CC[N@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497797	1	55	0.0	-71.38	427.43	3.98	-67.40
CCN(C(=O)COCC[NH+](C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497823	0	54	0.0	-67.98	432.25	3.00	-64.98
CCN(C(=O)CN1C=CSC1=[NH2+])[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497839	0	47	0.0	-64.15	403.45	2.06	-62.09
CCN(C(=O)C[NH+]1CCCCC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497881	0	54	0.0	-67.34	418.10	3.75	-63.59
CCN(C(=O)C1CCC[N@H+](C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497882	0	54	0.0	-72.37	420.73	3.06	-69.31
CCN(C(=O)C1CCC[N@@H+](C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497882	1	54	0.0	-69.91	420.09	2.81	-67.10
CCN(C(=O)C[NH+]1CCCCCC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497883	0	57	0.0	-68.18	427.46	3.95	-64.23
CCN(C(=O)C[N+]1=CN(C)C=C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497885	0	49	0.0	-65.61	407.61	5.39	-60.22
CCN(C(=O)C[N@@H+](C)C1CC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497901	1	51	0.0	-65.04	405.65	3.30	-61.74
CCN(C(=O)CC(C)C[NH+](C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497914	0	56	0.0	-69.10	435.83	3.44	-65.66
CCN(C(=O)CC1C[NH+](C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497992	0	51	0.0	-67.13	407.83	2.75	-64.38
CCN(C(=O)C[NH+](C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498001	0	47	0.0	-68.08	376.38	1.88	-66.20
CCN(C(=O)CC[N@H+](C)CCO)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498014	0	54	0.0	-68.66	429.16	-0.55	-69.21
CCN(C(=O)CC[N@@H+](C)CCO)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498014	1	54	0.0	-67.22	429.11	-0.54	-67.76
CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498015	0	50	0.0	-64.22	390.53	2.20	-62.02
CCN(C(=O)CC1CCCC[N@@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498024	0	57	0.0	-68.97	435.74	4.12	-64.85
CCN(C(=O)CC1CCCC[N@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498024	1	57	0.0	-59.62	430.51	3.52	-56.10
CCN(C(=O)C(C)[NH+]1CC(C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498033	0	54	0.0	-68.64	421.31	3.70	-64.94
CCN(C(=O)C[N@H+]1CCC1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498035	1	51	0.0	-65.52	402.09	2.70	-62.82
CCN(C(=O)C=CC[NH+](C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498039	0	51	0.0	-69.74	413.36	3.19	-66.55
CCN(C(=O)C[NH+]1CC(C)(C)C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498043	1	54	0.0	-67.86	426.78	3.46	-64.40
CCN(C(=O)C[NH+](CC)CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498074	0	53	0.0	-65.68	407.97	2.96	-62.72
CCN(C(=O)C[NH+]1CCC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498083	1	48	0.0	-67.89	386.47	2.31	-65.58
CCN(C(=O)CC[NH+](CC)CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498104	0	56	0.0	-67.84	434.33	3.86	-63.98
CCN(C(=O)C(C)[NH+]1CCC1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498142	0	51	0.0	-69.10	401.10	3.10	-66.00
CCN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498169	0	54	0.0	-64.13	417.74	3.53	-60.60
CCN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498169	1	54	0.0	-68.45	408.81	3.09	-65.36
CCN(C(=O)CC(O)C[NH+](C)C)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498183	0	54	0.0	-71.86	429.08	0.92	-70.94
C=CCC(C(=O)N(CC)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024498202	0	54	0.0	-62.64	417.51	3.27	-59.37
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CSC(N)=[NH2+]	REAL300024498227	0	45	0.0	-61.82	386.64	-1.56	-63.38
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1(CC[NH+](C)C)CC1	REAL300024498247	0	57	0.0	-62.50	452.28	3.99	-58.51
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC1CC=CC[N@@H+]1C	REAL300024498248	0	55	0.0	-57.57	422.53	3.96	-53.61
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)CC1CC=CC[N@H+]1C	REAL300024498248	1	55	0.0	-63.09	427.61	4.03	-59.06
CCC1CN(CC(=O)NC[C@@H](C)N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024498326	0	54	0.0	-61.54	429.04	3.83	-57.71
CCC1C[NH+](CC(=O)NC[C@@H](C)N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024498326	1	54	0.0	-61.54	429.04	3.83	-57.71
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024498331	0	51	0.0	-58.78	402.16	3.01	-55.77
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CC[N@H+](C)C1C	REAL300024498348	0	54	0.0	-63.04	413.12	2.99	-60.05
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1CC[N@@H+](C)C1C	REAL300024498348	1	54	0.0	-63.04	413.12	2.99	-60.05
CN(C[C@H]1CCCCN1C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498523	0	55	0.0	-68.50	420.08	4.37	-64.13
CN(C[C@H]1CCCCN1C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498523	1	55	0.0	-68.50	420.08	4.37	-64.13
CCC(C(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024498614	0	57	0.0	-68.93	420.84	4.34	-64.59
CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498618	0	57	0.0	-71.03	433.60	4.76	-66.27
CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498618	1	57	0.0	-71.03	433.60	4.76	-66.27
CN(C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498624	0	55	0.0	-69.11	412.89	3.89	-65.22
CN(C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498624	1	55	0.0	-69.11	412.89	3.89	-65.22
CC[NH+](CC)CC(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498627	0	57	0.0	-69.25	426.45	4.42	-64.83
CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498667	0	57	0.0	-74.47	434.54	4.69	-69.78
CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498667	1	57	0.0	-74.47	434.54	4.69	-69.78
CC[C@@H](C(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024498670	0	57	0.0	-67.37	422.41	4.35	-63.02
CC(C(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)N1CCC1	REAL300024498689	0	55	0.0	-71.09	422.84	4.35	-66.74
CC(C(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024498689	1	55	0.0	-71.09	422.84	4.35	-66.74
CN(C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498695	0	55	0.0	-68.93	425.21	4.92	-64.01
CN(C[C@H]1CCCCN1C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498700	0	55	0.0	-73.72	426.47	4.33	-69.39
CN(C[C@H]1CCCCN1C(=O)CN1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498741	0	52	0.0	-72.58	404.26	3.82	-68.76
CN(C[C@H]1CCCCN1C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498741	1	52	0.0	-72.58	404.26	3.82	-68.76
CC1CN(CC(=O)N2CCCC[C@@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024498755	0	55	0.0	-72.58	427.06	4.65	-67.93
CC1C[NH+](CC(=O)N2CCCC[C@@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024498755	1	55	0.0	-72.58	427.06	4.65	-67.93
CC[N@H+](C)CC(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498769	0	54	0.0	-72.25	413.77	4.21	-68.04
CN(C[C@H]1CCCCN1C(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498783	0	55	0.0	-75.77	431.80	4.80	-70.97
CCN1CCC1C(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498788	0	55	0.0	-71.77	426.58	4.41	-67.36
CC[N@@H+]1CCC1C(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498788	1	55	0.0	-71.39	425.75	4.40	-66.99
CC[N@H+]1CCC1C(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498788	1	55	0.0	-71.39	425.75	4.40	-66.99
CC(C[NH+](C)C)C(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498829	0	57	0.0	-75.99	432.29	4.57	-71.42
CC1CCN1CC(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498837	0	55	0.0	-69.58	420.69	4.30	-65.28
CC1CC[N@@H+]1CC(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498837	1	55	0.0	-71.42	425.38	4.49	-66.93
CC1CC[N@H+]1CC(=O)N1CCCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498837	1	55	0.0	-71.42	425.38	4.49	-66.93
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024498944	0	55	0.0	-67.45	414.60	4.10	-63.35
CCC(C(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024499015	0	57	0.0	-67.30	421.72	4.37	-62.93
CCC[N@H+](C)CC(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024499019	0	57	0.0	-69.57	435.21	4.97	-64.60
CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024499019	1	57	0.0	-69.57	435.21	4.97	-64.60
CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024499036	0	57	0.0	-73.38	435.74	4.81	-68.57
CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024499036	1	57	0.0	-73.38	435.74	4.81	-68.57
CC[C@@H](C(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024499076	0	57	0.0	-64.62	421.20	4.36	-60.26
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024499122	0	55	0.0	-67.58	414.28	4.05	-63.53
C[C@@H](C(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024499176	0	54	0.0	-68.84	411.04	3.93	-64.91
CC1C[NH+](CC(=O)N(C)C[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024499200	1	55	0.0	-70.20	426.24	4.67	-65.53
CC[N@H+](C)CC(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024499218	0	54	0.0	-69.96	413.65	4.23	-65.73
CC[N@@H+](C)CC(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024499218	1	54	0.0	-69.23	413.79	4.16	-65.07
CC(C[NH+](C)C)C(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024499248	0	57	0.0	-69.68	431.11	4.61	-65.07
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300024499251	0	55	0.0	-75.68	412.93	3.98	-71.70
C[C@H](C(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024499255	0	54	0.0	-67.98	412.18	3.87	-64.11
CC[N@@H+]1CCC1C(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024499258	1	55	0.0	-67.46	420.08	4.26	-63.20
CC[N@H+]1CCC1C(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024499258	1	55	0.0	-69.10	417.61	4.20	-64.90
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024499266	0	57	0.0	-69.77	414.11	4.60	-65.17
CN(C[C@H]1CCCCN1C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024499312	0	45	0.0	-23.39	371.25	-0.95	-24.34
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024499325	0	55	0.0	-65.68	415.13	4.04	-61.64
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024499325	1	55	0.0	-69.11	420.99	4.48	-64.63
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024499362	0	55	0.0	-66.85	425.20	4.96	-61.89
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024499362	1	55	0.0	-66.70	425.39	4.91	-61.79
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024499390	0	55	0.0	-72.91	427.15	4.39	-68.52
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024499393	0	51	0.0	-70.16	396.07	3.51	-66.65
C[C@@H](C(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024499396	0	54	0.0	-68.84	411.04	3.93	-64.91
CC1CC[N@@H+]1CC(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024499403	1	55	0.0	-67.74	421.84	4.34	-63.40
CC1CC[N@H+]1CC(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024499403	1	55	0.0	-69.88	427.11	4.63	-65.25
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024499404	0	55	0.0	-75.61	432.55	4.77	-70.84
CC[NH+](CC)CC(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024499410	0	57	0.0	-68.27	431.79	4.91	-63.36
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024499411	1	52	0.0	-71.04	403.10	3.77	-67.27
CC(C(=O)N(C)C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024499433	1	55	0.0	-69.49	422.01	4.40	-65.09
CN(C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024499497	0	55	0.0	-72.78	413.94	4.08	-68.70
CN(C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024499497	1	55	0.0	-69.67	418.58	4.31	-65.36
C[N@@H+]1CCCC1C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499619	0	53	0.0	-72.66	422.89	2.79	-69.87
C[N@H+]1CCCC1C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499619	1	53	0.0	-72.72	422.94	2.79	-69.93
CCC(C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024499722	0	55	0.0	-70.76	433.34	3.23	-67.53
CCC[N@H+](C)CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499727	0	55	0.0	-73.58	442.22	3.66	-69.92
CCC[N@@H+](C)CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499727	1	55	0.0	-73.58	442.16	3.66	-69.92
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499735	0	53	0.0	-72.81	422.94	2.79	-70.02
C[N@H+]1CCC[C@@H]1C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499735	1	53	0.0	-70.51	428.85	3.29	-67.22
CC[NH+](CC)CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499740	0	55	0.0	-71.78	434.52	3.32	-68.46
CC[N@H+](C)CCC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499798	0	55	0.0	-75.02	443.03	3.46	-71.56
CC[N@@H+](C)CCC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499798	1	55	0.0	-75.01	443.07	3.45	-71.56
CC[C@@H](C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024499801	0	55	0.0	-70.47	433.56	3.24	-67.23
C[NH+](C)CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499819	0	49	0.0	-73.87	402.93	2.24	-71.63
CC(C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024499823	1	53	0.0	-70.98	431.18	3.30	-67.68
C[N@H+](CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024499830	0	53	0.0	-70.60	432.20	3.65	-66.95
C[N@@H+](CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024499830	1	53	0.0	-71.22	432.37	3.65	-67.57
C[NH+]1CC(CC(=O)NCCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024499836	0	53	0.0	-74.54	434.38	3.07	-71.47
C[C@@H](C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024499843	0	52	0.0	-72.02	421.02	2.63	-69.39
[N-]=[N+]=NCC(=O)NCCC1=CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024499846	0	43	0.0	-24.31	379.90	-2.16	-26.47
C[C@@H](C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024499865	0	52	0.0	-72.02	421.02	2.63	-69.39
O=C(C[NH+]1CCC1)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499883	1	50	0.0	-73.58	413.01	2.66	-70.92
C[C@H](C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024499894	0	52	0.0	-71.95	421.16	2.64	-69.31
CC1C[NH+](CC(=O)NCCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024499901	1	53	0.0	-73.60	434.18	3.33	-70.27
C[N@H+](CCO)CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499912	1	53	0.0	-74.08	431.01	-0.33	-74.41
C[N@@H+](CCO)CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499912	1	53	0.0	-73.85	430.79	-0.33	-74.18
CC[N@H+](C)CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499919	0	52	0.0	-73.16	420.72	2.90	-70.26
CC[N@@H+](C)CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499919	1	52	0.0	-73.20	420.66	2.91	-70.29
C[NH+](C)CC=CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499937	0	53	0.0	-77.79	438.90	3.46	-74.33
CC[N@@H+]1CCC1C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499943	1	53	0.0	-71.83	426.81	3.09	-68.74
CC[N@H+]1CCC1C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024499943	1	53	0.0	-72.53	434.57	3.27	-69.26
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C[NH+](C)C1(C(=O)NCCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024499980	0	53	0.0	-76.96	425.42	3.94	-73.02
CC(C[NH+](C)C)C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500002	0	55	0.0	-74.79	441.33	3.52	-71.27
CC1CC[N@@H+]1CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500013	1	53	0.0	-71.33	428.77	3.06	-68.27
CC1CC[N@H+]1CC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500013	1	53	0.0	-72.27	434.21	3.32	-68.95
C[N@@H+]1CCCC1C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500128	0	53	0.0	-70.56	426.04	3.04	-67.52
C[N@H+]1CCCC1C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500128	1	53	0.0	-72.33	421.67	2.69	-69.64
CCC(C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024500202	0	55	0.0	-69.82	430.31	3.02	-66.80
CCC[N@H+](C)CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500206	0	55	0.0	-73.70	442.22	3.57	-70.13
CCC[N@@H+](C)CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500206	1	55	0.0	-73.70	442.20	3.58	-70.12
CC[N@H+](C)CCC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500223	0	55	0.0	-76.01	443.07	3.45	-72.56
CC[N@@H+](C)CCC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500223	1	55	0.0	-75.92	443.07	3.42	-72.50
CC[C@@H](C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024500264	0	55	0.0	-69.84	429.83	3.05	-66.79
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C[N@H+]1CCC[C@@H]1C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500310	1	53	0.0	-70.60	425.33	3.02	-67.58
C[C@@H](C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024500365	0	52	0.0	-71.54	418.74	2.52	-69.02
C[N@H+](CCO)CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500375	1	53	0.0	-74.23	431.05	-0.39	-74.62
C[N@@H+](CCO)CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500375	1	53	0.0	-73.99	430.80	-0.39	-74.38
CC1C[NH+](CC(=O)N2CC=C(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024500391	0	53	0.0	-73.90	434.29	3.24	-70.66
CC[N@H+](C)CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500409	0	52	0.0	-73.36	420.70	2.84	-70.52
CC[N@@H+](C)CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500409	1	52	0.0	-73.31	420.70	2.83	-70.48
CC(C[NH+](C)C)C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500442	0	55	0.0	-75.61	436.90	3.14	-72.47
C[NH+](C)C1(C(=O)N2CC=C(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024500445	0	53	0.0	-74.74	425.51	2.68	-72.06
C[C@H](C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024500449	0	52	0.0	-71.61	417.99	2.46	-69.15
CC[N@@H+]1CCC1C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500452	0	53	0.0	-72.89	434.14	3.14	-69.75
CC[N@H+]1CCC1C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500452	1	53	0.0	-72.89	433.21	3.10	-69.79
C[NH+](C)C(C)(C)C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500461	0	55	0.0	-73.44	423.43	2.57	-70.87
[N-]=[N+]=NCC(=O)N1CC=C(CCNC(=O)CSC2=NC(=O)NN2)CC1	REAL300024500510	0	43	0.0	-25.16	379.93	-2.24	-27.40
C[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500523	0	53	0.0	-69.86	425.01	2.93	-66.93
C[N@H+]1CCC[C@H]1C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500523	1	53	0.0	-72.25	421.72	2.68	-69.57
C[N@H+](CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024500560	0	53	0.0	-70.55	432.23	3.59	-66.96
C[N@@H+](CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024500560	1	53	0.0	-71.13	432.38	3.58	-67.55
C[NH+]1CC(CC(=O)N2CC=C(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024500588	0	53	0.0	-75.55	434.26	3.03	-72.52
C[NH+](C)CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500591	0	49	0.0	-74.12	402.97	2.17	-71.95
C[C@@H](C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024500594	0	52	0.0	-71.54	418.74	2.52	-69.02
CC1CC[N@@H+]1CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500603	0	53	0.0	-72.57	434.22	3.21	-69.36
CC1CC[N@H+]1CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500603	1	53	0.0	-72.31	434.21	3.25	-69.06
C[NH+](C)CC=CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500604	0	53	0.0	-79.05	439.06	3.41	-75.64
CC[NH+](CC)CC(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500610	0	55	0.0	-71.79	434.57	3.23	-68.56
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024500611	1	50	0.0	-73.99	413.28	2.62	-71.37
CC(C(=O)N1CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024500634	0	53	0.0	-70.98	426.56	2.93	-68.05
NC(=[NH2+])SCC(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500674	0	47	0.0	-75.49	411.46	-0.89	-76.38
C[N@@H+]1CCC[C@H]1C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500706	0	53	0.0	-69.81	428.64	3.21	-66.60
C[N@H+]1CCC[C@H]1C(=O)NCCC1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024500706	1	53	0.0	-72.64	422.92	2.79	-69.85
COCC1(CNC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024500758	0	49	0.0	-22.44	404.04	-2.53	-24.97
COCC1(CNC(=O)CSC2=NC(=O)NN2)CCN(C(=O)CN=[N+]=[N-])CC1	REAL300024500803	0	49	0.0	-22.97	404.04	-2.63	-25.60
C[N@@H+]1CCCC1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501004	0	52	0.0	-68.62	421.82	0.96	-67.66
C[N@H+]1CCCC1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501004	1	52	0.0	-70.85	420.87	1.06	-69.79
C[N@@H+]1CCOC(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501028	1	53	0.0	-81.75	439.75	0.97	-80.78
C[N@H+]1CCOC(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501028	1	53	0.0	-84.50	439.76	0.97	-83.53
CC1=[NH+]C=CN1CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501167	1	50	0.0	-67.96	431.88	2.06	-65.90
C[C@@H]1[C@H](C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024501185	0	55	0.0	-74.01	439.60	1.68	-72.33
C[C@@H]1[C@H](C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024501185	1	55	0.0	-74.66	444.41	1.78	-72.88
C[NH+](C)C1(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024501205	0	55	0.0	-73.99	434.74	1.68	-72.31
CC(C)[C@@H](C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024501207	0	57	0.0	-70.48	450.40	2.68	-67.80
C[N@H+](CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024501216	0	55	0.0	-67.78	448.66	2.58	-65.20
C[N@@H+](CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024501216	1	55	0.0	-69.18	448.11	2.51	-66.67
C[NH+]1CCC(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024501240	0	55	0.0	-75.48	446.58	2.20	-73.28
C[N@@H+]1CCCCC1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501246	0	55	0.0	-68.75	443.87	2.03	-66.72
C[N@H+]1CCCCC1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501246	1	55	0.0	-69.48	434.78	1.88	-67.60
CC1=C[NH+]=CN1CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501263	1	50	0.0	-70.83	431.16	2.89	-67.94
C[N@@H+]1CCC(CC(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501273	0	55	0.0	-72.23	448.31	2.20	-70.03
C[N@H+]1CCC(CC(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501273	1	55	0.0	-72.07	446.45	2.32	-69.75
CCC(C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024501276	0	54	0.0	-67.51	430.94	1.49	-66.02
C[NH+](C)CCCCC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501290	0	57	0.0	-75.42	467.81	2.59	-72.83
CC(C)C(C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024501293	0	57	0.0	-68.74	452.25	2.56	-66.18
CCC[N@H+](C)CCC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501294	0	57	0.0	-72.85	464.04	2.55	-70.30
CCC[N@@H+](C)CCC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501294	1	57	0.0	-74.22	464.04	2.41	-71.81
CCC[N@H+](C)CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501295	0	54	0.0	-71.37	441.67	1.87	-69.50
CCC[N@@H+](C)CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501295	1	54	0.0	-70.21	441.67	2.00	-68.21
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501310	0	52	0.0	-67.70	421.86	1.09	-66.61
C[N@H+]1CCC[C@@H]1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501310	1	52	0.0	-66.93	427.79	1.71	-65.22
CC[NH+](CC)CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501322	0	54	0.0	-69.14	432.95	1.51	-67.63
C[NH+](C)CC1(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024501376	0	55	0.0	-76.48	452.93	2.30	-74.18
C[NH+]1CCC(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024501398	0	55	0.0	-75.48	446.58	2.20	-73.28
CC(C)[C@H](C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024501413	0	57	0.0	-67.61	447.08	2.06	-65.55
CC[N@H+](C)CCC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501440	0	54	0.0	-73.38	441.98	1.71	-71.67
CC[N@@H+](C)CCC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501440	1	54	0.0	-71.90	441.61	1.84	-70.06
CC1CCC[N@@H+]1CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501450	0	55	0.0	-67.80	447.50	2.14	-65.66
CC1CCC[N@H+]1CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501450	1	55	0.0	-68.29	447.38	2.22	-66.07
CC1CC[N@H+](CC(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501451	0	55	0.0	-70.10	448.14	2.14	-67.96
CC1CC[N@@H+](CC(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501451	1	55	0.0	-69.54	447.72	2.19	-67.35
CC[C@@H](C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024501453	0	54	0.0	-67.35	431.11	1.55	-65.80
C[NH+](C)CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501489	0	48	0.0	-71.82	401.90	0.50	-71.32
CN1C=C[N+](CC(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024501490	0	50	0.0	-69.03	433.68	3.96	-65.07
C[N@@H+]1CCCC(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501493	0	55	0.0	-71.04	447.03	2.21	-68.83
C[N@H+]1CCCC(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501493	1	55	0.0	-65.01	438.45	2.55	-62.46
CC(C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024501500	1	52	0.0	-68.63	430.37	1.50	-67.13
C[NH+](C)CC(C)(C)C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501503	0	57	0.0	-71.35	453.06	2.23	-69.12
C[N@H+](CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024501510	0	52	0.0	-68.31	431.71	1.86	-66.45
C[N@@H+](CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024501510	1	52	0.0	-69.16	431.85	1.86	-67.30
C[NH+]1CC(CC(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501521	0	52	0.0	-72.15	433.33	1.32	-70.83
C[C@@H](C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024501533	0	51	0.0	-71.55	421.86	0.79	-70.76
[N-]=[N+]=NCC(=O)NCCC1(CNC(=O)CSC2=NC(=O)NN2)CC1	REAL300024501540	0	42	0.0	-25.46	379.41	-3.95	-29.41
C[C@@H](C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024501571	0	51	0.0	-71.55	421.86	0.79	-70.76
C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501574	0	55	0.0	-69.83	434.54	1.92	-67.91
C[N@H+]1CCCC[C@@H]1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501574	1	55	0.0	-66.98	444.23	2.04	-64.94
O=C(CSC1=NNC(=O)[N-]1)NCC1(CCNC(=O)C[NH+]2CCC2)CC1	REAL300024501601	1	49	0.0	-71.59	412.55	0.87	-70.72
C[N@@H+]1CCC(=CC(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501610	0	53	0.0	-75.38	440.74	2.04	-73.34
C[N@H+]1CCC(=CC(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501610	1	53	0.0	-75.01	440.84	2.08	-72.93
C[C@H](C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024501628	0	51	0.0	-68.80	419.92	0.82	-67.98
CC1C[NH+](CC(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501644	1	52	0.0	-71.61	433.72	1.55	-70.06
C[N@H+](CCO)CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501657	1	52	0.0	-72.51	430.53	-2.12	-74.63
C[N@@H+](CCO)CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501657	1	52	0.0	-70.63	429.92	-2.11	-72.74
CC(CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024501669	0	57	0.0	-74.39	459.06	2.50	-71.89
CC[N@H+](C)CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501671	0	51	0.0	-70.41	419.72	1.21	-69.20
CC[N@@H+](C)CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501671	1	51	0.0	-71.11	420.18	1.12	-69.99
CC[N@H+](CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024501681	0	55	0.0	-67.26	450.49	2.53	-64.73
CC[N@@H+](CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024501681	1	55	0.0	-67.58	448.08	2.40	-65.18
CC[NH+](CC)CCC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501687	0	57	0.0	-72.96	455.62	2.14	-70.82
CC1(C)C[NH+](CC(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501695	1	55	0.0	-71.59	452.85	2.03	-69.56
C[NH+](C)CC=CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501702	0	52	0.0	-75.99	437.85	1.71	-74.28
CC(CCC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024501719	0	57	0.0	-74.75	455.78	2.16	-72.59
CC[N@@H+]1CCC1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501723	1	52	0.0	-68.45	426.41	1.15	-67.30
CC[N@H+]1CCC1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501723	1	52	0.0	-70.75	433.52	1.52	-69.23
C=CCC(C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024501744	0	55	0.0	-69.04	448.37	2.15	-66.89
O=C(CSC1=NNC(=O)[N-]1)NCC1(CCNC(=O)C[NH+]2CC3CC3C2)CC1	REAL300024501752	0	53	0.0	-71.41	437.78	2.33	-69.08
CCCC(C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024501757	0	57	0.0	-68.82	456.26	2.37	-66.45
C[NH+](C)C(C)(C)C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501759	0	54	0.0	-75.92	429.89	1.44	-74.48
C[N@@H+]1CCCCC1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501769	0	55	0.0	-68.75	443.87	2.03	-66.72
C[N@H+]1CCCCC1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501769	1	55	0.0	-69.48	434.78	1.88	-67.60
C[NH+](C)C1(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024501805	0	52	0.0	-71.86	430.03	1.85	-70.01
O=C(CC[NH+]1CCCC1)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501806	0	55	0.0	-73.01	450.78	2.18	-70.83
C[N@@H+]1CC2CC1(C(=O)NCCC1(CNC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024501816	0	53	0.0	-71.88	434.49	1.79	-70.09
C[N@H+]1CC2CC1(C(=O)NCCC1(CNC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024501816	1	53	0.0	-75.86	431.86	1.52	-74.34
CC(C[NH+](C)C)C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501851	0	54	0.0	-73.55	440.30	1.78	-71.77
CC(C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024501871	0	55	0.0	-68.67	451.20	2.13	-66.54
CC1CC[N@@H+]1CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501872	1	52	0.0	-69.28	428.24	1.27	-68.01
CC1CC[N@H+]1CC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501872	1	52	0.0	-70.13	433.54	1.53	-68.60
C[NH+](C)[C@H]1C[C@H](C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024501903	0	55	0.0	-70.58	451.94	2.23	-68.35
CC(CC[NH+](C)C)C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024501904	0	57	0.0	-73.70	461.91	2.40	-71.30
C[N@@H+]1CCCC1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502073	0	52	0.0	-68.11	427.20	1.59	-66.52
C[N@H+]1CCCC1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502073	1	52	0.0	-66.90	428.00	1.34	-65.56
C[N@@H+]1CCOC(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024502099	1	53	0.0	-85.51	438.92	0.95	-84.56
C[N@H+]1CCOC(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024502099	1	53	0.0	-78.50	431.49	0.81	-77.69
C[N@@H+]1CCC(CC(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024502249	0	55	0.0	-74.42	448.98	2.11	-72.31
C[N@H+]1CCC(CC(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024502249	1	55	0.0	-75.60	448.82	2.11	-73.49
CCC(C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024502252	0	54	0.0	-65.76	431.24	1.43	-64.33
C[NH+](C)CCCCC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502262	0	57	0.0	-74.90	466.87	2.77	-72.13
CC(C)C(C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024502265	0	57	0.0	-68.23	448.31	2.14	-66.09
CCC[N@H+](C)CCC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502266	0	57	0.0	-74.82	464.03	2.55	-72.27
CCC[N@@H+](C)CCC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502266	1	57	0.0	-74.85	464.03	2.55	-72.30
CCC[N@H+](C)CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502267	0	54	0.0	-71.48	441.22	1.95	-69.53
CCC[N@@H+](C)CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502267	1	54	0.0	-71.25	441.22	1.94	-69.31
C[NH+](C)CC1(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024502306	0	55	0.0	-69.97	452.20	2.15	-67.82
CC[N@H+](C)CCC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502312	0	54	0.0	-74.04	442.53	1.80	-72.24
CC[N@@H+](C)CCC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502312	1	54	0.0	-74.37	442.54	1.65	-72.72
C[NH+]1CCC(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024502334	0	55	0.0	-77.38	446.55	2.19	-75.19
CC(C)[C@H](C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024502349	0	57	0.0	-65.81	451.10	2.64	-63.17
C[NH+](C)C1(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024502371	0	55	0.0	-76.81	434.96	2.71	-74.10
CC1CCC[N@@H+]1CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502395	0	55	0.0	-68.77	441.15	1.98	-66.79
CC1CCC[N@H+]1CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502395	1	55	0.0	-69.67	446.98	2.21	-67.46
CC(C)[C@@H](C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024502406	0	57	0.0	-70.32	449.35	2.60	-67.72
CC1CC[N@H+](CC(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024502414	0	55	0.0	-71.07	447.45	2.23	-68.84
CC1CC[N@@H+](CC(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024502414	1	55	0.0	-71.45	447.64	2.13	-69.32
CC[C@@H](C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024502416	0	54	0.0	-68.85	432.76	1.57	-67.28
CC1=[NH+]C=CN1CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502453	1	50	0.0	-68.72	431.42	2.15	-66.57
CC1=C[NH+]=CN1CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502471	1	50	0.0	-69.94	431.76	2.88	-67.06
C[C@@H]1[C@H](C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024502472	0	55	0.0	-72.23	439.94	1.72	-70.51
C[C@@H]1[C@H](C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024502472	1	55	0.0	-74.15	444.34	1.87	-72.28
C[N@H+](CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024502502	0	55	0.0	-69.57	448.09	2.52	-67.05
C[N@@H+](CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024502502	1	55	0.0	-69.19	448.23	2.53	-66.66
C[NH+]1CCC(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024502508	0	55	0.0	-77.38	446.55	2.19	-75.19
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502521	0	52	0.0	-72.03	421.95	1.06	-70.97
C[N@H+]1CCC[C@@H]1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502521	1	52	0.0	-68.27	426.99	1.57	-66.70
C[N@@H+]1CCCCC1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502564	0	55	0.0	-68.52	434.85	1.92	-66.60
C[N@H+]1CCCCC1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502564	1	55	0.0	-67.94	433.95	1.96	-65.98
CC1C(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024502593	0	55	0.0	-69.82	443.70	1.80	-68.02
CC1C(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024502593	1	55	0.0	-73.06	442.63	1.56	-71.50
C[C@@H](C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024502634	0	51	0.0	-70.53	421.41	0.93	-69.60
O=C(CC[NH+]1CCCC1)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502652	0	55	0.0	-73.10	449.84	2.37	-70.73
C[N@H+](CCO)CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502657	1	52	0.0	-71.56	430.07	-2.03	-73.59
C[N@@H+](CCO)CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502657	1	52	0.0	-72.25	430.03	-2.04	-74.29
CC1C[NH+](CC(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024502700	1	52	0.0	-72.47	431.59	1.80	-70.67
CC[N@H+](C)CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502732	0	51	0.0	-71.12	419.72	1.21	-69.91
CC[N@@H+](C)CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502732	1	51	0.0	-71.01	419.72	1.20	-69.81
CC(CCC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024502785	0	57	0.0	-71.89	459.00	2.39	-69.50
CC[N@H+](CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024502790	0	55	0.0	-68.53	450.10	2.67	-65.86
CC[N@@H+](CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024502790	1	55	0.0	-69.14	447.66	2.67	-66.47
C[N@@H+]1CC2CC1(C(=O)NCC1(CCNC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024502803	0	53	0.0	-75.12	434.37	1.59	-73.53
C[N@H+]1CC2CC1(C(=O)NCC1(CCNC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024502803	1	53	0.0	-76.52	432.40	1.58	-74.94
CC(C[NH+](C)C)C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502812	0	54	0.0	-73.75	440.98	1.82	-71.93
C[NH+](C)C1(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024502818	0	52	0.0	-73.65	421.14	2.10	-71.55
C[C@H](C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024502828	0	51	0.0	-66.92	419.41	0.89	-66.03
CC[N@@H+]1CCC1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502831	1	52	0.0	-69.23	426.80	1.22	-68.01
CC[N@H+]1CCC1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502831	1	52	0.0	-70.74	433.10	1.51	-69.23
NC1=CC=[NH+]C=C1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502842	0	48	0.0	-73.48	409.90	-1.15	-74.63
CCCC(C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024502846	0	57	0.0	-71.32	453.25	2.41	-68.91
C[NH+](C)C(C)(C)C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502849	0	54	0.0	-75.18	427.84	1.67	-73.51
CC(CC[NH+](C)C)C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502858	0	57	0.0	-71.81	463.26	2.20	-69.61
O=C(CSC1=NNC(=O)[N-]1)NCCC1(CNC(=O)C[NH+]2CC3CC3C2)CC1	REAL300024502917	0	53	0.0	-71.57	437.32	2.41	-69.16
C[N@@H+]1CCCCC1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502925	0	55	0.0	-68.52	434.85	1.92	-66.60
C[N@H+]1CCCCC1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502925	1	55	0.0	-67.94	433.95	1.96	-65.98
C[N@@H+]1CCC(=CC(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024502950	0	53	0.0	-75.47	439.40	2.19	-73.28
C[N@H+]1CCC(=CC(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024502950	1	53	0.0	-75.49	440.84	2.07	-73.42
[N-]=[N+]=NCC(=O)NCC1(CCNC(=O)CSC2=NC(=O)NN2)CC1	REAL300024502957	0	42	0.0	-25.57	379.41	-3.95	-29.52
CCC1C[NH+](CC(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024502973	1	55	0.0	-73.21	454.14	2.50	-70.71
C[N@@H+]1CCC[C@H]1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502978	0	52	0.0	-67.47	428.85	1.49	-65.98
C[N@H+]1CCC[C@H]1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024502978	1	52	0.0	-71.43	421.05	1.01	-70.42
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024503018	0	55	0.0	-74.31	451.04	2.37	-71.94
O=C(CSC1=NNC(=O)[N-]1)NCCC1(CNC(=O)C[NH+]2CCCCC2)CC1	REAL300024503059	0	55	0.0	-70.97	443.71	2.40	-68.57
C[N@@H+]1CCCC(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024503060	0	55	0.0	-71.18	447.05	1.93	-69.25
C[N@H+]1CCCC(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024503060	1	55	0.0	-65.03	438.85	2.27	-62.76
CN1C=C[N+](CC(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024503061	0	50	0.0	-70.39	432.74	4.15	-66.24
C[N@H+](CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024503071	0	52	0.0	-69.18	430.77	2.04	-67.14
C[N@@H+](CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024503071	1	52	0.0	-69.73	431.84	2.00	-67.73
CC(CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024503079	0	57	0.0	-73.75	458.69	2.64	-71.11
C[NH+]1CC(CC(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024503128	0	52	0.0	-72.31	432.95	1.46	-70.85
C[NH+](C)CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024503135	0	48	0.0	-72.24	401.51	0.64	-71.60
C[C@@H](C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024503143	0	51	0.0	-70.53	421.41	0.93	-69.60
CC(C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024503157	1	55	0.0	-70.04	451.65	2.13	-67.91
CC1CC[N@@H+]1CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024503158	1	52	0.0	-70.20	428.23	1.41	-68.79
CC1CC[N@H+]1CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024503158	1	52	0.0	-70.01	433.32	1.61	-68.40
C[NH+](C)CC=CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024503160	0	52	0.0	-76.31	438.41	1.80	-74.51
CC[NH+](CC)CC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024503177	0	54	0.0	-70.22	433.17	1.74	-68.48
CC[NH+](CC)CCC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024503200	0	57	0.0	-73.00	460.34	2.47	-70.53
CC(C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024503228	1	52	0.0	-65.02	419.37	1.26	-63.76
C[NH+](C)CC(C)(C)C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024503232	0	57	0.0	-69.69	449.14	2.09	-67.60
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024503252	0	55	0.0	-65.58	432.86	2.05	-63.53
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024503252	1	55	0.0	-66.65	443.80	2.10	-64.55
C=CCC(C(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024503271	0	55	0.0	-71.98	448.69	2.32	-69.66
NC(=[NH2+])SCC(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024503294	0	46	0.0	-74.23	410.37	-2.60	-76.83
CCC1C[NH+](CC(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024503349	1	55	0.0	-72.49	454.54	2.35	-70.14
C[N@@H+]1CCC[C@H]1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024503353	0	52	0.0	-68.38	428.28	1.61	-66.77
C[N@H+]1CCC[C@H]1C(=O)NCCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024503353	1	52	0.0	-71.63	421.74	1.16	-70.47
O=C(CSC1=NNC(=O)[N-]1)NCC1(CCNC(=O)C[NH+]2CCCCC2)CC1	REAL300024503360	0	55	0.0	-69.41	443.23	2.51	-66.90
CC1C(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024503364	0	55	0.0	-74.50	439.52	1.72	-72.78
CC1C(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024503364	1	55	0.0	-70.41	442.17	1.56	-68.85
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C	REAL300024503564	0	54	0.0	-70.95	434.98	1.60	-69.35
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300024503564	1	54	0.0	-70.96	435.04	1.61	-69.35
CC1=[NH+]C=CN1CC(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024503715	1	52	0.0	-67.89	444.41	2.67	-65.22
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024503733	0	57	0.0	-75.30	451.61	2.03	-73.27
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024503733	1	57	0.0	-74.36	458.08	2.33	-72.03
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCC1	REAL300024503750	0	57	0.0	-73.52	448.87	2.16	-71.36
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCC1	REAL300024503760	0	57	0.0	-69.38	461.10	3.03	-66.35
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCC1	REAL300024503760	1	57	0.0	-68.81	461.19	3.04	-65.77
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024503781	0	57	0.0	-74.71	459.58	2.71	-72.00
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024503787	0	57	0.0	-67.25	456.93	2.65	-64.60
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024503787	1	57	0.0	-68.29	447.63	2.47	-65.82
CC1=C[NH+]=CN1CC(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024503804	1	52	0.0	-70.43	443.69	3.35	-67.08
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300024503813	0	57	0.0	-74.01	460.81	2.64	-71.37
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300024503813	1	57	0.0	-73.46	461.41	2.65	-70.81
CCC(C(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024503816	0	56	0.0	-67.74	445.63	2.05	-65.69
CCC[N@H+](C)CC(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024503832	0	56	0.0	-71.03	454.21	2.47	-68.56
CCC[N@@H+](C)CC(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024503832	1	56	0.0	-71.06	454.20	2.46	-68.60
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024503846	0	54	0.0	-68.31	441.32	2.11	-66.20
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300024503846	1	54	0.0	-69.41	434.95	1.61	-67.80
CC[NH+](CC)CC(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024503858	0	56	0.0	-69.23	446.56	2.13	-67.10
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CC1	REAL300024503910	0	57	0.0	-71.41	466.77	2.81	-68.60
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024503931	0	57	0.0	-74.71	459.58	2.71	-72.00
CC[N@H+](C)CCC(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024503968	0	56	0.0	-72.74	455.07	2.27	-70.47
CC[N@@H+](C)CCC(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024503968	1	56	0.0	-72.64	455.07	2.26	-70.38
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300024503976	0	57	0.0	-67.87	453.67	2.43	-65.44
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1C	REAL300024503976	1	57	0.0	-67.87	453.65	2.43	-65.44
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300024503977	0	57	0.0	-70.27	460.31	2.74	-67.53
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)C1	REAL300024503977	1	57	0.0	-70.20	461.23	2.70	-67.50
CC[C@@H](C(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024503979	0	56	0.0	-67.75	445.63	2.05	-65.70
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+](C)C	REAL300024504010	0	50	0.0	-71.35	414.98	1.05	-70.30
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N+]1=CN(C)C=C1	REAL300024504011	0	52	0.0	-69.62	446.21	4.56	-65.06
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C)C1	REAL300024504014	0	57	0.0	-71.76	459.57	2.66	-69.10
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C)C1	REAL300024504014	1	57	0.0	-65.92	453.31	2.88	-63.04
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCC1	REAL300024504021	1	54	0.0	-69.95	444.98	1.98	-67.97
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CC1	REAL300024504029	0	54	0.0	-68.63	444.38	2.46	-66.17
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CC1	REAL300024504029	1	54	0.0	-68.77	444.38	2.46	-66.31
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300024504039	0	54	0.0	-71.80	446.42	1.87	-69.93
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024504050	0	53	0.0	-69.07	432.87	1.46	-67.61
CC(CCCCNC(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300024504057	0	44	0.0	-25.60	391.94	-3.35	-28.95
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024504088	0	53	0.0	-69.07	432.87	1.46	-67.61
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024504091	0	57	0.0	-68.60	456.95	2.66	-65.94
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024504091	1	57	0.0	-68.88	447.63	2.47	-66.41
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC1	REAL300024504116	1	51	0.0	-71.37	425.08	1.46	-69.91
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@H+](C)C1	REAL300024504123	0	55	0.0	-75.04	453.82	2.59	-72.45
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300024504123	1	55	0.0	-75.01	452.86	2.61	-72.40
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)[NH+](C)C	REAL300024504140	0	53	0.0	-69.96	433.14	1.45	-68.51
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)C1	REAL300024504154	1	54	0.0	-71.11	446.25	2.15	-68.96
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCO	REAL300024504167	1	54	0.0	-71.90	443.06	-1.52	-73.42
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCO	REAL300024504167	1	54	0.0	-71.07	442.84	-1.53	-72.60
CC[N@H+](C)CC(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024504179	0	53	0.0	-70.62	432.70	1.73	-68.89
CC[N@@H+](C)CC(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024504179	1	53	0.0	-70.59	432.71	1.72	-68.87
CC[N@H+](CC(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024504189	0	57	0.0	-67.31	460.22	2.86	-64.45
CC[N@@H+](CC(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024504189	1	57	0.0	-68.24	461.35	3.08	-65.16
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)(C)C1	REAL300024504201	1	57	0.0	-71.28	465.39	2.62	-68.66
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300024504208	0	54	0.0	-75.16	450.93	2.27	-72.89
CC[N@@H+]1CCC1C(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024504225	1	54	0.0	-70.30	446.62	2.01	-68.29
CC[N@H+]1CCC1C(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024504225	1	54	0.0	-68.57	439.54	1.69	-66.88
C=CCC(C(=O)NC(C)CCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024504244	0	57	0.0	-67.29	458.65	2.54	-64.75
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC2CC2C1	REAL300024504251	0	55	0.0	-71.04	450.32	2.93	-68.11
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+](C)C	REAL300024504256	0	56	0.0	-74.88	442.44	2.20	-72.68
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024504266	0	57	0.0	-67.25	456.93	2.65	-64.60
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024504266	1	57	0.0	-68.29	447.63	2.47	-65.82
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CC1	REAL300024504298	0	54	0.0	-75.29	438.70	2.06	-73.23
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300024504299	0	57	0.0	-72.20	463.30	2.78	-69.42
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024504309	0	55	0.0	-74.21	445.03	2.42	-71.79
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@H+]2C	REAL300024504309	1	55	0.0	-73.00	447.22	2.20	-70.80
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)C[NH+](C)C	REAL300024504343	0	56	0.0	-72.58	453.38	2.31	-70.27
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CC(C)C1	REAL300024504362	0	57	0.0	-68.48	464.17	2.75	-65.73
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC1C	REAL300024504363	1	54	0.0	-69.66	446.31	2.13	-67.53
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC1C	REAL300024504363	1	54	0.0	-69.05	440.75	1.86	-67.19
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024504391	0	57	0.0	-70.81	464.53	2.77	-68.04
CC(CCCCNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504551	0	54	0.0	-72.83	435.00	1.60	-71.23
CC(CCCCNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504551	1	54	0.0	-73.16	434.98	1.60	-71.56
CC(CCCCNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504718	0	57	0.0	-76.41	461.14	2.66	-73.75
CC(CCCCNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504718	1	57	0.0	-77.71	461.51	2.64	-75.07
CCC(C(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024504721	0	56	0.0	-70.57	445.63	2.02	-68.55
CCC[N@H+](C)CC(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504733	0	56	0.0	-73.65	454.21	2.46	-71.19
CCC[N@@H+](C)CC(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504733	1	56	0.0	-73.68	454.20	2.45	-71.23
CC(CCCCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504769	0	57	0.0	-76.72	466.64	2.80	-73.92
CC[N@H+](C)CCC(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504774	0	56	0.0	-75.95	455.07	2.27	-73.68
CC[N@@H+](C)CCC(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504774	1	56	0.0	-75.92	455.07	2.26	-73.66
CC(CCCCNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504796	0	57	0.0	-79.78	459.55	2.71	-77.07
CC(CCCCNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504828	0	57	0.0	-79.73	445.82	2.59	-77.14
CC(CCCCNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504850	0	57	0.0	-71.00	460.13	2.82	-68.18
CC(CCCCNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504850	1	57	0.0	-70.56	461.01	2.70	-67.86
CC(CCCCNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504867	0	57	0.0	-72.81	460.36	2.72	-70.09
CC(CCCCNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504867	1	57	0.0	-73.14	460.85	2.80	-70.34
CC[C@@H](C(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024504869	0	56	0.0	-71.68	449.22	2.64	-69.04
CC1=[NH+]C=CN1CC(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504904	1	52	0.0	-70.65	444.41	2.66	-67.99
CC1=C[NH+]=CN1CC(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504922	1	52	0.0	-73.57	443.69	3.34	-70.23
CC(CCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504923	0	57	0.0	-78.37	451.52	2.01	-76.36
CC(CCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504923	1	57	0.0	-75.14	457.04	2.54	-72.60
CC(CCCCNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504950	0	57	0.0	-71.81	461.10	3.02	-68.79
CC(CCCCNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504950	1	57	0.0	-71.41	461.19	3.03	-68.38
CC(CCCCNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504955	0	57	0.0	-79.78	459.55	2.71	-77.07
CC(CCCCNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504967	0	54	0.0	-70.73	441.26	2.11	-68.62
CC(CCCCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504967	1	54	0.0	-73.33	435.01	1.60	-71.73
CC(CCCCNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505007	0	57	0.0	-71.09	447.63	2.47	-68.62
CC(CCCCNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505007	1	57	0.0	-71.41	447.62	2.46	-68.95
CC(CCCCNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505035	0	57	0.0	-73.72	456.14	2.27	-71.45
CC(CCCCNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505035	1	57	0.0	-73.57	456.17	2.25	-71.32
CC(CCCCNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505072	0	53	0.0	-72.09	433.08	1.44	-70.65
CC(CCCCNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505089	0	57	0.0	-75.40	463.30	2.77	-72.63
CC(CCCCNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505094	1	54	0.0	-74.30	443.06	-1.53	-75.83
CC(CCCCNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505094	1	54	0.0	-74.28	442.84	-1.53	-75.81
CC(CCCCNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505132	1	54	0.0	-73.91	446.25	2.14	-71.77
CC[N@H+](C)CC(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505161	0	53	0.0	-73.31	432.71	1.71	-71.60
CC[N@@H+](C)CC(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505161	1	53	0.0	-73.29	432.70	1.71	-71.58
CC[N@H+](CC(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024505214	0	57	0.0	-70.88	461.33	3.02	-67.86
CC[N@@H+](CC(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024505214	1	57	0.0	-72.20	456.37	2.95	-69.25
CC(CCCCNC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505226	0	55	0.0	-78.34	445.17	2.40	-75.94
CC(CCCCNC(=O)C12CC(C1)C[N@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505226	1	55	0.0	-77.90	447.02	2.24	-75.66
CC(CCCCNC(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505235	0	56	0.0	-75.76	453.38	2.32	-73.44
CC(CCCCNC(=O)C1([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505241	0	54	0.0	-79.17	437.41	2.74	-76.43
CC(CCCCNC(=O)[C@@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505250	0	53	0.0	-72.34	433.14	1.44	-70.90
CC[N@@H+]1CCC1C(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505253	1	54	0.0	-71.48	439.77	1.77	-69.71
CC[N@H+]1CCC1C(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505253	1	54	0.0	-73.05	446.61	2.07	-70.98
CC(CCCCNC(=O)C1=C[NH+]=CC=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505263	0	50	0.0	-76.80	423.09	-0.47	-77.27
CC(CCCCNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505269	0	56	0.0	-78.21	442.43	2.19	-76.02
CC(CCCCNC(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505330	0	55	0.0	-73.89	450.32	2.92	-70.97
CC(CCCCNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505336	0	57	0.0	-71.09	447.63	2.47	-68.62
CC(CCCCNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505336	1	57	0.0	-71.41	447.62	2.46	-68.95
CC(CCCCNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505357	0	55	0.0	-78.24	453.82	2.59	-75.65
CC(CCCCNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505357	1	55	0.0	-78.26	452.86	2.61	-75.65
CC(CCCCNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024505364	0	44	0.0	-25.84	391.95	-3.36	-29.20
CCC1C[NH+](CC(=O)NCCCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024505378	1	57	0.0	-74.65	467.64	2.89	-71.76
CC(CCCCNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505383	0	54	0.0	-73.31	435.02	1.60	-71.71
CC(CCCCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505383	1	54	0.0	-69.99	440.67	2.01	-67.98
CC(CCCCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505416	0	57	0.0	-75.77	464.51	2.77	-73.00
CC(CCCCNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505454	0	57	0.0	-73.38	457.08	2.93	-70.45
CC(CCCCNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505455	0	57	0.0	-67.18	453.30	2.87	-64.31
CC(CCCCNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505455	1	57	0.0	-67.39	453.30	2.86	-64.53
CC(CCCCNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505456	0	52	0.0	-71.57	446.21	4.55	-67.02
CC(CCCCNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505466	0	54	0.0	-71.18	444.38	2.45	-68.73
CC(CCCCNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505466	1	54	0.0	-71.29	444.38	2.45	-68.84
CC(CCCCNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505515	0	54	0.0	-75.21	446.42	1.87	-73.34
CC(CCCCNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505521	0	50	0.0	-73.95	414.98	1.04	-72.91
CC(CCCCNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505529	0	53	0.0	-72.09	433.08	1.44	-70.65
CC(CCCCNC(=O)C(C)[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505543	0	57	0.0	-72.37	465.32	2.71	-69.66
CC(CCCCNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505544	1	54	0.0	-72.60	446.31	2.12	-70.48
CC(CCCCNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505544	1	54	0.0	-71.57	440.76	1.86	-69.71
CC(CCCCNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505546	0	54	0.0	-79.40	450.94	2.26	-77.14
CC(CCCCNC(=O)C[NH+]1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505550	1	57	0.0	-74.21	465.58	2.66	-71.55
CC[NH+](CC)CC(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505562	0	56	0.0	-71.82	451.07	2.41	-69.41
CC(CCCCNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505567	1	51	0.0	-74.05	425.07	1.47	-72.58
CC(CCCCNC(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505606	1	54	0.0	-72.26	444.98	1.98	-70.28
CC(CCCCNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505627	0	57	0.0	-70.20	456.93	2.63	-67.57
CC(CCCCNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505627	1	57	0.0	-71.14	447.62	2.46	-68.68
C=CCC(C(=O)NCCCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024505646	0	57	0.0	-70.10	458.65	2.52	-67.58
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC(N)=[NH2+]	REAL300024505667	0	48	0.0	-73.24	423.50	-2.09	-75.33
CCC1C[NH+](CC(=O)NC(C)CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024505716	1	57	0.0	-71.95	467.64	2.91	-69.04
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024505720	0	54	0.0	-69.41	435.00	1.61	-67.80
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024505720	1	54	0.0	-67.76	440.68	2.00	-65.76
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCC1	REAL300024505726	0	57	0.0	-70.56	457.08	2.94	-67.62
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300024505730	0	57	0.0	-71.26	455.14	2.17	-69.09
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300024505730	1	57	0.0	-74.40	458.06	2.32	-72.08
C[NH+](C)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)CC1CCCC1	REAL300024505799	0	57	0.0	-74.32	450.80	3.98	-70.34
[N-]=[N+]=NCC(=O)N(CCCNC(=O)CSC1=NC(=O)NN1)CC1CCCC1	REAL300024505804	0	51	0.0	-23.76	427.77	-0.42	-24.18
[N-]=[N+]=NCC(=O)NCCCN(CC1CCCC1)C(=O)CSC1=NC(=O)NN1	REAL300024505863	0	51	0.0	-23.50	425.27	-0.28	-23.78
C[NH+](C)CC(=O)NCCCN(CC1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024505870	0	57	0.0	-71.43	450.42	3.99	-67.44
C[NH+](C)CC(=O)N1CC2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024505980	0	52	0.0	-67.59	411.67	2.92	-64.67
C[C@@H](C(=O)N1CC2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024505985	0	55	0.0	-63.96	426.06	3.20	-60.76
[N-]=[N+]=NCC(=O)N1CC2CCC1C(CNC(=O)CSC1=NC(=O)NN1)C2	REAL300024505988	0	46	0.0	-25.22	388.40	-1.48	-26.70
C[C@@H](C(=O)N1CC2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024505998	0	55	0.0	-63.96	426.06	3.20	-60.76
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2CCC1N(C(=O)C[NH+]1CCC1)C2	REAL300024506006	1	53	0.0	-67.43	421.31	3.34	-64.09
C[C@H](C(=O)N1CC2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024506011	0	55	0.0	-67.02	427.17	3.26	-63.76
CC[N@H+](C)CC(=O)N1CC2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024506023	0	55	0.0	-66.87	429.17	3.58	-63.29
CC[N@@H+](C)CC(=O)N1CC2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024506023	1	55	0.0	-67.06	429.18	3.59	-63.47
C[C@@H](C(=O)NCC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024506169	0	55	0.0	-72.49	426.64	2.89	-69.60
CC[N@H+](C)CC(=O)NCC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024506188	0	55	0.0	-72.93	426.71	3.16	-69.77
CC[N@@H+](C)CC(=O)NCC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024506188	1	55	0.0	-72.98	426.71	3.16	-69.82
C[C@H](C(=O)NCC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024506201	0	55	0.0	-72.53	429.47	3.39	-69.14
[N-]=[N+]=NCC(=O)NCC1CC2CCC1N(C(=O)CSC1=NC(=O)NN1)C2	REAL300024506226	0	46	0.0	-25.34	388.29	-1.43	-26.77
C[NH+](C)CC(=O)NCC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024506257	0	52	0.0	-74.24	411.33	2.97	-71.27
C[C@@H](C(=O)NCC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024506260	0	55	0.0	-72.49	426.64	2.89	-69.60
O=C(C[NH+]1CCC1)NCC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024506267	1	53	0.0	-74.49	421.44	3.40	-71.09
CC1CN(C(=O)C2CCC[N@@H+]2C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506405	0	55	0.0	-69.82	425.92	2.79	-67.03
CC1CN(C(=O)C2CCC[N@H+]2C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506405	1	55	0.0	-68.92	421.93	2.99	-65.93
CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024506505	0	57	0.0	-69.06	428.36	3.14	-65.92
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024506510	0	57	0.0	-72.74	443.38	3.38	-69.36
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024506510	1	57	0.0	-72.74	443.34	3.35	-69.39
CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506518	0	55	0.0	-69.59	426.85	2.81	-66.78
CC1CN(C(=O)[C@H]2CCC[N@H+]2C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506518	1	55	0.0	-71.93	418.69	2.77	-69.16
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024506523	0	57	0.0	-71.03	436.18	3.58	-67.45
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024506579	0	57	0.0	-74.48	440.25	3.48	-71.00
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024506579	1	57	0.0	-74.38	440.26	3.50	-70.88
CC[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024506582	0	57	0.0	-68.87	430.95	2.82	-66.05
CC1CN(C(=O)C[NH+](C)C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506600	0	51	0.0	-73.23	400.14	2.23	-71.00
CC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+]1CCC1	REAL300024506604	1	55	0.0	-70.21	418.97	2.77	-67.44
CC1CN(C(=O)C[N@H+](C)C2CC2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506610	0	55	0.0	-70.48	429.56	3.63	-66.85
CC1CN(C(=O)C[N@@H+](C)C2CC2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506610	1	55	0.0	-69.83	429.41	3.63	-66.20
CC1CN(C(=O)CC2C[NH+](C)C2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506616	0	55	0.0	-73.50	431.43	3.10	-70.40
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024506623	0	54	0.0	-70.56	420.26	2.33	-68.23
CC1CN(C(=O)CN=[N+]=[N-])CCC1CNC(=O)CSC1=NC(=O)NN1	REAL300024506626	0	45	0.0	-25.50	377.11	-2.18	-27.68
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024506644	0	54	0.0	-70.56	420.26	2.33	-68.23
CC1CN(C(=O)C[NH+]2CCC2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506662	1	52	0.0	-72.80	414.50	2.42	-70.38
C[C@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024506673	0	54	0.0	-70.42	416.13	2.56	-67.86
CC1C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300024506679	1	55	0.0	-72.90	431.43	3.31	-69.59
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024506696	0	54	0.0	-72.36	421.88	2.63	-69.73
CC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024506696	1	54	0.0	-72.37	421.84	2.61	-69.76
CC1CN(C(=O)C=CC[NH+](C)C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506712	0	55	0.0	-76.82	436.29	3.50	-73.32
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024506718	1	55	0.0	-72.07	431.28	3.16	-68.91
CC[N@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024506718	1	55	0.0	-72.07	435.25	2.88	-69.19
CC1CN(C(=O)C(C)(C)[NH+](C)C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506731	0	57	0.0	-74.22	419.72	2.67	-71.55
CC1CN(C(=O)C2([NH+](C)C)CC2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506753	0	55	0.0	-74.84	422.22	2.72	-72.12
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024506775	0	57	0.0	-75.70	437.81	3.33	-72.37
CC1CC[N@@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024506784	1	55	0.0	-70.53	429.88	2.78	-67.75
CC1CC[N@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024506784	1	55	0.0	-70.57	429.92	2.77	-67.80
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1CCC[N@@H+]1C	REAL300024506893	0	55	0.0	-74.13	424.18	2.60	-71.53
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1CCC[N@H+]1C	REAL300024506893	1	55	0.0	-74.06	424.16	2.60	-71.46
CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024506964	0	57	0.0	-71.15	430.53	3.31	-67.84
CCC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024506968	0	57	0.0	-74.49	439.37	3.74	-70.75
CCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024506968	1	57	0.0	-74.43	439.38	3.73	-70.70
CC[N@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024506985	0	57	0.0	-75.64	440.24	3.54	-72.10
CC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024506985	1	57	0.0	-75.57	440.24	3.54	-72.03
CC[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024507025	0	57	0.0	-72.17	430.54	3.33	-68.84
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300024507071	0	55	0.0	-70.66	430.60	3.06	-67.60
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300024507071	1	55	0.0	-72.34	424.15	2.60	-69.74
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024507125	0	54	0.0	-73.33	418.23	2.72	-70.61
CC1C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024507149	1	55	0.0	-74.52	434.23	3.22	-71.30
CC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024507167	0	54	0.0	-74.08	417.88	2.99	-71.09
CC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024507167	1	54	0.0	-74.00	417.88	2.99	-71.01
CC(C[NH+](C)C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024507197	0	57	0.0	-75.19	442.63	3.34	-71.85
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1([NH+](C)C)CC1	REAL300024507200	0	55	0.0	-77.63	423.29	3.55	-74.08
C[C@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024507204	0	54	0.0	-72.94	422.28	2.48	-70.46
CC[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024507207	1	55	0.0	-73.02	427.97	2.92	-70.10
CC[N@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024507207	1	55	0.0	-72.51	424.71	2.97	-69.54
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C(C)(C)[NH+](C)C	REAL300024507215	0	57	0.0	-77.52	427.60	3.49	-74.03
CC1CN(C(=O)CSC2=NC(=O)NN2)CCC1CNC(=O)CN=[N+]=[N-]	REAL300024507261	0	45	0.0	-25.13	377.11	-2.08	-27.21
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024507274	0	55	0.0	-72.37	424.15	2.60	-69.77
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300024507274	1	55	0.0	-70.90	426.19	3.36	-67.54
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C[N@H+](C)C1CC1	REAL300024507311	0	55	0.0	-71.64	429.42	3.73	-67.91
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C[N@@H+](C)C1CC1	REAL300024507311	1	55	0.0	-71.16	433.49	3.48	-67.68
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)CC1C[NH+](C)C1	REAL300024507339	0	55	0.0	-75.33	431.58	3.15	-72.18
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C[NH+](C)C	REAL300024507342	0	51	0.0	-74.54	404.23	2.07	-72.47
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024507345	0	54	0.0	-73.33	418.23	2.72	-70.61
CC1CC[N@@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024507352	1	55	0.0	-72.03	429.93	2.87	-69.16
CC1CC[N@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024507352	1	55	0.0	-73.04	431.46	3.41	-69.63
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C=CC[NH+](C)C	REAL300024507353	0	55	0.0	-78.27	440.19	3.28	-74.99
CC[NH+](CC)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024507359	0	57	0.0	-72.80	431.73	3.41	-69.39
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C[NH+]1CCC1	REAL300024507360	1	52	0.0	-74.43	410.23	2.75	-71.68
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CCC1	REAL300024507382	1	55	0.0	-71.90	434.18	2.98	-68.92
CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024507450	0	55	0.0	-71.81	418.59	2.76	-69.05
CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024507450	1	55	0.0	-69.05	425.99	2.73	-66.32
C[N@@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024507697	0	50	0.0	-67.74	391.41	2.64	-65.10
C[N@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024507697	1	50	0.0	-64.49	392.52	2.92	-61.57
CC1=[NH+]C=CN1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024507857	1	48	0.0	-63.26	402.08	3.79	-59.47
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC[N@@H+]1C	REAL300024507873	0	53	0.0	-72.32	405.13	3.34	-68.98
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC[N@H+]1C	REAL300024507873	1	53	0.0	-71.66	416.21	3.49	-68.17
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CCC1	REAL300024507897	0	53	0.0	-68.40	419.67	4.17	-64.23
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CCC1	REAL300024507897	1	53	0.0	-69.50	419.56	4.15	-65.35
C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024507921	0	53	0.0	-72.08	412.75	3.57	-68.51
CC1=C[NH+]=CN1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024507936	1	48	0.0	-67.74	398.63	4.42	-63.32
C[N@@H+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024507943	0	53	0.0	-71.33	418.78	3.77	-67.56
C[N@H+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024507943	1	53	0.0	-73.10	420.09	3.82	-69.28
CCC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024507946	0	52	0.0	-68.13	396.91	2.98	-65.15
C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024507957	0	55	0.0	-71.24	434.36	4.26	-66.98
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024507961	0	55	0.0	-73.67	435.44	4.20	-69.47
CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024507961	1	55	0.0	-73.44	435.45	4.18	-69.26
CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024507962	0	52	0.0	-71.06	412.62	3.60	-67.46
CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024507962	1	52	0.0	-68.01	408.09	3.49	-64.52
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024507974	0	50	0.0	-64.66	390.34	2.70	-61.96
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024507974	1	50	0.0	-64.43	393.95	2.98	-61.45
CC[NH+](CC)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024507982	0	52	0.0	-69.14	405.51	3.40	-65.74
C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024508027	0	53	0.0	-80.08	416.12	3.60	-76.48
C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024508043	0	53	0.0	-72.08	412.75	3.57	-68.51
CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508069	0	52	0.0	-67.44	413.91	3.53	-63.91
CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508069	1	52	0.0	-67.24	413.91	3.53	-63.71
CC1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508078	0	53	0.0	-67.83	408.42	3.45	-64.38
CC1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508078	1	53	0.0	-64.55	407.65	3.44	-61.11
CC1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024508079	0	53	0.0	-67.79	418.03	3.92	-63.87
CC1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024508079	1	53	0.0	-69.36	418.01	3.90	-65.46
CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024508081	0	52	0.0	-70.60	401.63	3.21	-67.39
C[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508110	0	46	0.0	-68.97	372.84	2.21	-66.76
CN1C=C[N+](CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)=C1	REAL300024508111	0	48	0.0	-65.96	400.20	5.59	-60.37
C[N@@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024508114	0	53	0.0	-63.16	407.17	3.70	-59.46
C[N@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024508114	1	53	0.0	-73.20	415.79	3.67	-69.53
CC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+]1CCC1	REAL300024508120	1	50	0.0	-66.67	397.04	3.02	-63.65
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CC1	REAL300024508129	0	50	0.0	-62.05	402.78	3.70	-58.35
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CC1	REAL300024508129	1	50	0.0	-65.81	398.57	3.48	-62.33
C[NH+]1CC(CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024508138	0	50	0.0	-67.83	403.81	2.95	-64.88
C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024508150	0	49	0.0	-70.65	390.21	2.53	-68.12
[N-]=[N+]=NCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NC(=O)NN3)C[C@H]21	REAL300024508157	0	40	0.0	-24.18	345.91	-2.33	-26.51
C[N@H+](CCO)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508184	0	53	0.0	-66.14	424.26	0.30	-65.84
C[N@@H+](CCO)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508184	1	53	0.0	-72.44	424.26	0.22	-72.22
C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024508185	0	49	0.0	-70.65	390.21	2.53	-68.12
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508188	0	53	0.0	-65.76	404.86	3.47	-62.29
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508188	1	53	0.0	-66.24	413.69	3.73	-62.51
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C[NH+]3CCC3)[C@@H]2C1	REAL300024508212	1	47	0.0	-71.00	383.56	2.60	-68.40
C[N@@H+]1CCC(=CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024508220	0	51	0.0	-74.27	410.70	3.75	-70.52
C[N@H+]1CCC(=CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024508220	1	51	0.0	-74.43	410.83	3.75	-70.68
C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508228	0	53	0.0	-64.63	424.73	3.12	-61.51
C[C@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024508238	0	49	0.0	-67.71	389.86	2.42	-65.29
CC1C[NH+](CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024508254	1	50	0.0	-72.09	403.94	3.36	-68.73
C[N@H+](CCO)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508266	1	50	0.0	-72.42	401.47	-0.38	-72.80
C[N@@H+](CCO)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508266	1	50	0.0	-70.88	401.23	-0.37	-71.25
CC(CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C[NH+](C)C	REAL300024508276	0	55	0.0	-72.32	425.92	4.11	-68.21
CC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508278	0	49	0.0	-67.44	386.59	2.74	-64.70
CC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508278	1	49	0.0	-67.64	386.60	2.75	-64.89
CC[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CC1	REAL300024508287	0	53	0.0	-67.28	421.99	4.20	-63.08
CC[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CC1	REAL300024508287	1	53	0.0	-68.16	420.25	4.22	-63.94
CC[NH+](CC)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508292	0	55	0.0	-72.21	423.79	3.77	-68.44
CC1(C)C[NH+](CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024508300	1	53	0.0	-71.69	420.44	3.66	-68.03
C[NH+](C)CC=CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508305	0	50	0.0	-76.50	409.77	3.42	-73.08
COCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508312	1	53	0.0	-67.22	419.19	1.93	-65.29
COCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508312	1	53	0.0	-72.78	423.72	2.02	-70.76
CC(CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024508319	0	55	0.0	-73.67	427.19	3.96	-69.71
CC[N@@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508323	1	50	0.0	-71.14	401.56	3.01	-68.13
CC[N@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508323	1	50	0.0	-68.17	403.68	3.11	-65.06
C=CCC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024508345	0	53	0.0	-66.57	414.04	3.61	-62.96
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C[NH+]3CC4CC4C3)[C@@H]2C1	REAL300024508352	0	51	0.0	-71.52	408.88	4.06	-67.46
CCCC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024508357	0	55	0.0	-67.75	421.92	3.93	-63.82
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508367	0	53	0.0	-67.74	413.18	3.74	-64.00
C[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508367	1	53	0.0	-62.89	413.39	3.77	-59.12
O=C(CC[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508399	0	53	0.0	-69.37	420.94	3.93	-65.44
CC(C[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508434	0	52	0.0	-60.38	413.10	3.26	-57.12
CC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+]1CC(C)C1	REAL300024508455	0	53	0.0	-68.70	421.74	3.76	-64.94
CC1CC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508456	1	50	0.0	-68.65	399.20	2.99	-65.66
CC1CC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508456	1	50	0.0	-71.84	406.77	3.50	-68.34
C[NH+](C)CC(O)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508457	0	53	0.0	-72.31	421.39	1.05	-71.26
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024508484	0	53	0.0	-73.67	421.39	3.91	-69.76
CC(CC[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024508485	0	55	0.0	-70.61	428.11	3.79	-66.82
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024508651	0	50	0.0	-57.80	388.80	2.94	-54.86
C[N@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024508651	1	50	0.0	-58.82	392.19	2.94	-55.88
C[N@@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024508677	1	51	0.0	-66.75	406.35	2.48	-64.27
C[N@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024508677	1	51	0.0	-60.90	399.05	2.33	-58.57
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024508827	0	53	0.0	-65.21	419.02	3.79	-61.42
C[N@H+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024508827	1	53	0.0	-67.36	419.85	3.80	-63.56
CCC(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300024508830	0	52	0.0	-63.13	403.36	3.23	-59.90
C[NH+](C)CCCCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024508840	0	55	0.0	-67.99	439.16	4.37	-63.62
CC(C)C(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300024508845	0	55	0.0	-68.63	410.93	3.80	-64.83
CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024508846	0	55	0.0	-61.76	430.47	4.08	-57.68
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024508846	1	55	0.0	-65.47	435.05	4.14	-61.33
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024508847	0	52	0.0	-61.41	411.40	3.63	-57.78
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024508847	1	52	0.0	-60.38	412.38	3.65	-56.73
C[NH+](C)CC1(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)CC1	REAL300024508886	0	53	0.0	-67.14	417.17	3.67	-63.47
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024508892	0	52	0.0	-61.22	408.97	3.35	-57.87
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024508892	1	52	0.0	-60.76	408.97	3.36	-57.40
C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)CC1	REAL300024508916	0	53	0.0	-83.25	417.70	3.72	-79.53
CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300024508931	0	55	0.0	-60.08	416.52	3.64	-56.44
C[NH+](C)C1(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)CCC1	REAL300024508955	0	53	0.0	-54.93	394.92	3.66	-51.27
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024508980	0	53	0.0	-58.59	411.33	3.56	-55.03
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024508980	1	53	0.0	-58.37	410.64	3.56	-54.81
CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300024508991	0	55	0.0	-62.91	415.66	3.89	-59.02
CC1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024508999	0	53	0.0	-59.54	419.73	3.85	-55.69
CC1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024508999	1	53	0.0	-59.88	418.16	3.86	-56.02
CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300024509001	0	52	0.0	-62.52	403.06	3.30	-59.22
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509040	1	48	0.0	-59.28	401.58	3.81	-55.47
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509058	1	48	0.0	-63.46	402.57	4.53	-58.93
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)CC[N@@H+]1C	REAL300024509059	0	53	0.0	-68.07	408.97	3.12	-64.95
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)CC[N@H+]1C	REAL300024509059	1	53	0.0	-64.93	413.12	3.76	-61.17
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)C1CCC1	REAL300024509091	0	53	0.0	-58.42	419.25	4.21	-54.21
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)C1CCC1	REAL300024509091	1	53	0.0	-62.73	419.83	4.32	-58.41
C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)CC1	REAL300024509098	0	53	0.0	-83.25	417.70	3.72	-79.53
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509111	0	50	0.0	-54.08	387.15	2.60	-51.48
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509111	1	50	0.0	-58.12	397.67	3.17	-54.95
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509154	0	53	0.0	-56.15	397.04	3.19	-52.96
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509154	1	53	0.0	-62.70	401.13	3.34	-59.36
CC1C(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)CC[N@@H+]1C	REAL300024509183	0	53	0.0	-58.14	415.69	3.62	-54.52
CC1C(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)CC[N@H+]1C	REAL300024509183	1	53	0.0	-62.19	407.61	3.13	-59.06
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300024509224	0	49	0.0	-62.48	389.05	2.52	-59.96
O=C(CC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509242	0	53	0.0	-64.51	421.73	3.94	-60.57
C[N@H+](CCO)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509247	1	50	0.0	-62.95	400.26	-0.36	-63.31
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509247	1	50	0.0	-61.04	400.01	-0.35	-61.39
CC1C[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024509293	1	50	0.0	-61.75	402.75	3.34	-58.41
CC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509327	0	49	0.0	-61.13	389.91	2.88	-58.25
CC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509327	1	49	0.0	-61.24	389.91	2.89	-58.35
COCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509380	1	53	0.0	-63.71	423.82	2.17	-61.54
COCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509380	1	53	0.0	-62.86	422.51	2.05	-60.81
CC(CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300024509382	0	55	0.0	-63.15	425.42	3.87	-59.28
CC[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)C1CC1	REAL300024509387	0	53	0.0	-55.03	417.55	4.11	-50.92
CC[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)C1CC1	REAL300024509387	1	53	0.0	-55.72	414.33	4.10	-51.62
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C1)C2	REAL300024509400	0	51	0.0	-61.58	402.49	3.76	-57.82
C[N@H+]1CC2CC1(C(=O)N1C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C1)C2	REAL300024509400	1	51	0.0	-62.24	397.06	3.36	-58.88
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509409	0	52	0.0	-81.03	411.36	3.32	-77.71
C[NH+](C)C1(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)CC1	REAL300024509415	0	50	0.0	-63.85	393.95	2.75	-61.10
C[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300024509425	0	49	0.0	-60.76	389.10	2.47	-58.29
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509428	1	50	0.0	-59.00	396.10	2.87	-56.13
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509428	1	50	0.0	-61.14	403.56	3.14	-58.00
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509443	0	46	0.0	-63.27	377.03	0.04	-63.23
CCCC(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300024509447	0	55	0.0	-61.09	423.40	3.95	-57.14
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509450	0	52	0.0	-55.62	391.18	2.80	-52.82
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509459	0	55	0.0	-81.07	433.02	3.94	-77.13
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C[NH+]3CC4CC4C3)C[C@H]21	REAL300024509519	0	51	0.0	-57.53	404.21	3.96	-53.57
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509529	0	53	0.0	-56.15	397.04	3.19	-52.96
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509529	1	53	0.0	-62.70	401.13	3.34	-59.36
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024509557	0	51	0.0	-68.20	410.65	3.70	-64.50
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024509557	1	51	0.0	-70.12	411.30	3.92	-66.20
[N-]=[N+]=NCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NC(=O)NN3)[C@@H]2C1	REAL300024509564	0	40	0.0	-22.17	352.76	-1.99	-24.16
CCC1C[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024509580	0	53	0.0	-62.24	424.65	4.01	-58.23
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509585	0	50	0.0	-59.39	391.25	2.85	-56.54
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509585	1	50	0.0	-63.16	390.73	2.68	-60.48
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024509628	0	53	0.0	-63.53	422.96	3.91	-59.62
C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509645	0	53	0.0	-61.57	424.84	3.21	-58.36
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C[NH+]3CCCCC3)C[C@H]21	REAL300024509679	0	53	0.0	-61.89	415.12	4.06	-57.83
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024509680	0	53	0.0	-64.58	409.30	3.84	-60.74
C[N@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024509680	1	53	0.0	-73.19	410.36	3.49	-69.70
CN1C=C[N+](CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)=C1	REAL300024509681	0	48	0.0	-56.40	400.10	5.61	-50.79
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)C1CC1	REAL300024509691	0	50	0.0	-59.14	401.60	3.62	-55.52
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)C1CC1	REAL300024509691	1	50	0.0	-59.48	401.44	3.62	-55.86
CC(CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)C[NH+](C)C	REAL300024509699	0	55	0.0	-67.64	429.92	4.21	-63.43
C[NH+]1CC(CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024509749	0	50	0.0	-66.87	404.89	3.01	-63.86
C[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509756	0	46	0.0	-61.96	372.79	2.18	-59.78
C[N@H+](CCO)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509766	0	53	0.0	-60.10	419.32	0.13	-59.97
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509766	1	53	0.0	-65.44	423.86	0.19	-65.25
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300024509767	0	49	0.0	-62.48	389.05	2.52	-59.96
CC(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+]1CC(C)C1	REAL300024509781	0	53	0.0	-61.56	422.33	3.67	-57.89
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509782	1	50	0.0	-56.56	400.27	3.16	-53.40
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509782	1	50	0.0	-61.48	399.21	3.02	-58.46
C[NH+](C)CC=CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509784	0	50	0.0	-69.88	409.84	3.41	-66.47
CC1(C)C[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300024509788	1	53	0.0	-62.97	424.47	3.82	-59.15
CC[NH+](CC)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509804	0	52	0.0	-59.87	404.39	3.26	-56.61
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@H]21	REAL300024509809	1	47	0.0	-58.90	379.19	2.62	-56.28
CC[NH+](CC)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509829	0	55	0.0	-64.15	431.74	4.15	-60.00
CC(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+]1CCC1	REAL300024509858	1	50	0.0	-62.10	401.95	3.08	-59.02
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509862	0	55	0.0	-64.45	412.83	3.36	-61.09
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509883	0	53	0.0	-59.76	405.74	3.44	-56.32
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509883	1	53	0.0	-57.00	413.19	3.72	-53.28
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024509893	0	53	0.0	-68.71	425.96	1.32	-67.39
C=CCC(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300024509905	0	53	0.0	-60.40	415.91	3.70	-56.70
NC(=[NH2+])SCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024509928	0	44	0.0	-73.61	381.95	-0.90	-74.51
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024509982	0	50	0.0	-65.13	390.48	2.86	-62.27
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024509982	1	50	0.0	-70.49	387.13	2.59	-67.90
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCCC3)[C@@H]2C1	REAL300024509989	0	53	0.0	-69.97	413.72	4.05	-65.92
CC1C(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC[N@@H+]1C	REAL300024509992	0	53	0.0	-73.35	408.97	3.17	-70.18
CC1C(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC[N@H+]1C	REAL300024509992	1	53	0.0	-68.25	420.47	3.58	-64.67
C[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510194	0	47	0.0	-71.37	390.98	-2.28	-73.65
C[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510194	1	47	0.0	-72.67	384.33	-2.67	-75.34
C[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024510218	1	48	0.0	-77.49	394.57	-2.94	-80.43
C[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024510218	1	48	0.0	-74.01	394.59	-2.93	-76.94
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510361	0	53	0.0	-72.90	413.75	-1.20	-74.10
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510361	1	53	0.0	-73.56	417.48	-1.03	-74.59
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510383	1	45	0.0	-71.80	394.53	-1.61	-73.41
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024510401	0	51	0.0	-77.31	405.60	-1.45	-78.76
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC[N@@H+]1C	REAL300024510427	0	50	0.0	-75.38	401.85	-2.04	-77.42
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC[N@H+]1C	REAL300024510427	1	50	0.0	-74.60	406.62	-1.81	-76.41
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC[N@@H+]1C	REAL300024510429	0	53	0.0	-75.14	421.01	-1.51	-76.65
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC[N@H+]1C	REAL300024510429	1	53	0.0	-76.97	427.20	-1.21	-78.18
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510476	0	53	0.0	-71.65	422.02	-1.38	-73.03
O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510478	0	53	0.0	-76.49	435.11	-0.71	-77.20
O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510480	0	53	0.0	-74.40	427.93	-0.85	-75.25
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510483	0	53	0.0	-71.69	415.61	-1.17	-72.86
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510483	1	53	0.0	-70.71	425.00	-0.99	-71.70
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CCC1	REAL300024510492	0	50	0.0	-77.13	395.32	-1.73	-78.86
CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300024510498	0	52	0.0	-71.21	411.66	-1.00	-72.21
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CCC1	REAL300024510516	0	50	0.0	-73.11	411.35	-1.24	-74.35
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CCC1	REAL300024510516	1	50	0.0	-71.32	410.45	-1.25	-72.57
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510571	0	53	0.0	-79.64	432.66	-0.72	-80.36
C[N@H+]1CCCC1CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510571	1	53	0.0	-73.28	426.28	-1.23	-74.51
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300024510587	0	50	0.0	-78.33	408.99	-1.58	-79.91
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510610	0	50	0.0	-72.88	397.87	-1.81	-74.69
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510610	1	50	0.0	-71.37	397.06	-1.82	-73.19
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510668	1	45	0.0	-74.87	394.90	-0.87	-75.74
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024510684	0	51	0.0	-73.98	409.11	-1.26	-75.24
C[N@@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024510689	0	50	0.0	-78.94	411.45	-1.61	-80.55
C[N@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024510689	1	50	0.0	-78.48	411.72	-1.64	-80.12
CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300024510695	0	49	0.0	-72.41	395.98	-2.29	-74.70
C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510736	0	52	0.0	-78.63	430.64	-1.10	-79.73
CC(C)C(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300024510746	0	52	0.0	-71.99	411.40	-1.34	-73.33
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510747	0	52	0.0	-78.10	426.88	-1.30	-79.40
CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510747	1	52	0.0	-78.04	426.80	-1.28	-79.32
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510750	0	49	0.0	-75.32	404.35	-1.80	-77.12
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510750	1	49	0.0	-75.61	404.50	-1.84	-77.45
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024510759	0	51	0.0	-80.37	405.17	-1.91	-82.28
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024510759	1	51	0.0	-84.84	405.89	-1.89	-86.73
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510780	0	47	0.0	-74.08	385.20	-2.68	-76.76
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510780	1	47	0.0	-72.14	390.09	-2.14	-74.28
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510807	0	49	0.0	-71.32	400.48	-1.89	-73.21
CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300024510860	0	53	0.0	-73.61	426.98	-0.76	-74.37
C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300024510878	0	50	0.0	-69.91	416.05	-1.53	-71.44
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300024510924	0	50	0.0	-78.33	408.99	-1.58	-79.91
CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300024510939	0	52	0.0	-72.04	411.93	-1.37	-73.41
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510995	0	49	0.0	-77.32	405.38	-2.04	-79.36
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024510995	1	49	0.0	-77.27	405.38	-2.03	-79.30
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511017	0	50	0.0	-72.80	410.37	-1.46	-74.26
CC1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511017	1	50	0.0	-71.91	403.84	-1.84	-73.75
CC1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511018	0	50	0.0	-74.40	411.45	-1.58	-75.98
CC1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511018	1	50	0.0	-74.82	411.30	-1.47	-76.29
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511019	0	53	0.0	-74.70	430.22	-0.98	-75.68
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511019	1	53	0.0	-74.69	430.16	-1.00	-75.69
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300024511026	0	49	0.0	-71.91	395.37	-2.19	-74.10
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511096	0	43	0.0	-75.65	365.13	-3.22	-78.87
O=C(C[NH+]1CCCCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511099	0	53	0.0	-72.76	415.73	-1.20	-73.96
CN1C=C[N+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)=C1	REAL300024511101	0	45	0.0	-70.75	395.54	0.27	-70.48
C[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511104	0	50	0.0	-66.54	402.70	-1.42	-67.96
C[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511104	1	50	0.0	-73.93	408.90	-1.60	-75.53
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024511109	0	51	0.0	-68.00	421.80	-0.72	-68.72
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024511109	1	51	0.0	-73.15	412.88	-1.33	-74.48
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+]1CCC1	REAL300024511119	1	47	0.0	-70.77	392.52	-2.15	-72.92
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511127	0	52	0.0	-75.66	415.11	-1.53	-77.19
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CC1	REAL300024511138	0	47	0.0	-72.32	394.48	-1.82	-74.14
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CC1	REAL300024511138	1	47	0.0	-72.46	394.42	-1.82	-74.28
C[NH+]1CC(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511152	0	47	0.0	-76.82	396.57	-2.42	-79.24
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511162	0	53	0.0	-72.01	427.17	-1.47	-73.48
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511162	1	53	0.0	-69.27	410.12	-2.09	-71.36
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300024511171	0	46	0.0	-74.02	383.39	-2.84	-76.86
[N-]=[N+]=NCC(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1O	REAL300024511178	0	37	0.0	-28.13	342.24	-7.65	-35.78
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511219	0	43	0.0	-71.86	392.26	-3.05	-74.91
C[N@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511224	0	50	0.0	-76.95	415.66	-5.25	-82.20
C[N@@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511224	1	50	0.0	-76.60	415.72	-5.27	-81.87
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300024511225	0	46	0.0	-74.02	383.39	-2.84	-76.86
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511228	0	50	0.0	-70.45	396.97	-1.81	-72.26
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511228	1	50	0.0	-71.54	407.09	-1.62	-73.16
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511284	0	48	0.0	-76.97	403.21	-1.68	-78.65
C[N@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511284	1	48	0.0	-79.03	404.04	-1.67	-80.70
C[NH+](C)CCOCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511302	0	50	0.0	-73.10	420.26	-2.19	-75.29
C=CCC(C)(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300024511313	0	53	0.0	-80.99	419.87	-0.98	-81.97
CC1CN(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511344	0	47	0.0	-76.33	395.21	-2.07	-78.40
CC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511344	1	47	0.0	-76.33	395.21	-2.07	-78.40
CN(CCO)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511360	0	47	0.0	-76.43	393.35	-5.82	-82.25
C[N@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511360	1	47	0.0	-75.67	392.99	-5.79	-81.46
C[N@@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511360	1	47	0.0	-75.67	392.99	-5.79	-81.46
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511377	0	53	0.0	-74.53	427.51	-0.97	-75.50
CC[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511377	1	53	0.0	-74.53	427.51	-0.97	-75.50
CC(CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C[NH+](C)C	REAL300024511379	0	52	0.0	-77.72	422.56	-1.24	-78.96
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511382	0	46	0.0	-75.08	382.86	-2.55	-77.63
CC[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CC1	REAL300024511405	0	50	0.0	-71.71	409.99	-1.47	-73.18
CC[NH+](CC)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511413	0	52	0.0	-76.74	418.88	-1.60	-78.34
C[NH+](C)CC=CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511441	0	47	0.0	-80.45	401.24	-2.04	-82.49
COCCN(C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511454	0	50	0.0	-75.39	415.24	-3.38	-78.77
COCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511454	1	50	0.0	-76.69	415.60	-3.41	-80.10
COCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511454	1	50	0.0	-76.69	415.60	-3.41	-80.10
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CCCC1	REAL300024511470	0	53	0.0	-77.06	416.00	-0.99	-78.05
CC(CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300024511472	0	52	0.0	-79.52	418.64	-1.51	-81.03
CCN1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511478	0	47	0.0	-74.14	388.96	-2.37	-76.51
CC[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511478	1	47	0.0	-72.11	395.95	-2.19	-74.30
CC[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511478	1	47	0.0	-72.11	395.95	-2.19	-74.30
C[NH+]1CCC(C)(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300024511502	0	53	0.0	-73.00	422.53	-1.16	-74.16
C=CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300024511518	0	50	0.0	-71.44	408.55	-1.68	-73.12
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511525	0	53	0.0	-68.56	430.08	-1.22	-69.78
CCCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300024511542	0	52	0.0	-72.82	419.47	-1.29	-74.11
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511545	0	49	0.0	-75.65	391.76	-2.11	-77.76
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511565	0	50	0.0	-71.37	397.06	-1.82	-73.19
C[N@H+]1CC=C(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300024511584	0	51	0.0	-72.05	424.45	-0.92	-72.97
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300024511584	1	51	0.0	-72.05	424.45	-0.92	-72.97
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511613	0	51	0.0	-79.36	427.58	-0.84	-80.20
O=C(CC[NH+]1CCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511638	0	50	0.0	-77.02	412.60	-1.59	-78.61
CN1CC2CC1(C(=O)N[C@@H]1CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1O)C2	REAL300024511662	0	48	0.0	-78.95	397.72	-2.10	-81.05
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1O)C2	REAL300024511662	1	48	0.0	-75.87	394.34	-1.86	-77.73
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1O)C2	REAL300024511662	1	48	0.0	-75.87	394.34	-1.86	-77.73
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511667	0	51	0.0	-73.60	411.55	-1.12	-74.72
CC(C[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511728	0	49	0.0	-76.95	403.39	-1.95	-78.90
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511764	0	53	0.0	-78.81	424.53	-1.06	-79.87
C[N@H+]1CCCCC1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511764	1	53	0.0	-78.81	424.53	-1.06	-79.87
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)N1CC(C)C1	REAL300024511773	0	50	0.0	-73.42	413.27	-1.51	-74.93
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+]1CC(C)C1	REAL300024511773	1	50	0.0	-73.42	413.27	-1.51	-74.93
CC1CCN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511775	0	47	0.0	-71.70	395.61	-2.15	-73.85
CC1CC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511775	1	47	0.0	-73.32	390.93	-2.41	-75.73
CC1CC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511775	1	47	0.0	-73.32	390.93	-2.41	-75.73
C[NH+](C)CC(O)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511777	0	50	0.0	-81.01	417.97	-4.26	-85.27
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024511829	0	50	0.0	-76.97	414.69	-1.50	-78.47
CC(CC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511833	0	52	0.0	-74.93	424.44	-1.35	-76.28
CN1CCN(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300024511848	0	52	0.0	-73.99	423.34	-3.72	-77.71
C[NH+]1CCN(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300024511848	1	52	0.0	-73.99	423.34	-3.72	-77.71
C[N@@H+]1CCCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512017	0	47	0.0	-77.72	383.77	-2.81	-80.53
CN1CCOC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024512043	0	48	0.0	-89.86	397.62	-3.02	-92.88
C[N@@H+]1CCOC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024512043	1	48	0.0	-74.65	390.45	-3.18	-77.83
C[N@H+]1CCOC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024512043	1	48	0.0	-74.65	390.45	-3.18	-77.83
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O	REAL300024512199	0	51	0.0	-72.46	401.86	-1.90	-74.36
C[N@@H+]1CCC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024512220	0	50	0.0	-82.34	410.65	-1.65	-83.99
C[N@H+]1CCC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024512220	1	50	0.0	-80.83	411.50	-1.66	-82.49
CCC(C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024512226	0	49	0.0	-75.78	393.61	-2.29	-78.07
C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512255	0	52	0.0	-81.38	430.49	-1.09	-82.47
CC(C)C(C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024512267	0	52	0.0	-77.62	408.72	-1.54	-79.16
CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512268	0	52	0.0	-81.52	425.91	-1.28	-82.80
CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512268	1	52	0.0	-80.81	426.72	-1.28	-82.09
CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512271	0	49	0.0	-78.24	403.64	-1.88	-80.12
CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512271	1	49	0.0	-78.23	403.61	-1.88	-80.11
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@H]1O	REAL300024512280	0	51	0.0	-86.66	396.31	-2.45	-89.11
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@H]1O	REAL300024512280	1	51	0.0	-80.39	397.31	-2.47	-82.86
CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024512304	0	53	0.0	-77.88	427.86	-0.82	-78.70
C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024512341	0	50	0.0	-73.44	412.79	-1.74	-75.18
CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512358	0	49	0.0	-80.11	405.22	-2.02	-82.13
CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512358	1	49	0.0	-80.00	405.22	-2.02	-82.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@H]1O	REAL300024512369	0	51	0.0	-87.73	402.17	-1.76	-89.49
C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024512406	0	50	0.0	-83.79	404.59	-1.93	-85.72
CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024512421	0	52	0.0	-75.30	408.90	-1.69	-76.99
C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024512481	0	50	0.0	-76.72	392.15	-2.36	-79.08
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512515	0	50	0.0	-74.47	410.45	-1.50	-75.97
CC1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512515	1	50	0.0	-74.46	402.99	-1.92	-76.38
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512541	0	53	0.0	-72.05	418.47	-1.46	-73.51
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512541	1	53	0.0	-76.22	414.62	-1.03	-77.25
CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024512548	0	52	0.0	-75.20	409.16	-1.78	-76.98
CC1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024512558	0	50	0.0	-76.29	411.45	-1.63	-77.92
CC1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024512558	1	50	0.0	-76.75	410.86	-1.52	-78.27
CC1(C)CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024512559	0	53	0.0	-76.41	430.30	-1.04	-77.45
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024512559	1	53	0.0	-76.95	430.85	-1.04	-77.99
CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024512566	0	49	0.0	-77.09	396.28	-2.25	-79.34
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512644	1	45	0.0	-73.52	394.68	-1.69	-75.21
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512702	1	45	0.0	-77.71	394.17	-0.97	-78.68
C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024512706	0	50	0.0	-84.22	400.45	-2.31	-86.53
C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024512706	1	50	0.0	-80.56	405.67	-1.75	-82.31
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024512708	0	53	0.0	-81.12	417.22	-1.74	-82.86
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024512708	1	53	0.0	-78.96	421.11	-1.32	-80.28
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512713	0	53	0.0	-74.43	424.43	-1.24	-75.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O	REAL300024512715	0	53	0.0	-79.57	433.13	-0.78	-80.35
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O	REAL300024512718	0	53	0.0	-79.80	428.33	-0.83	-80.63
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512721	0	53	0.0	-74.87	414.86	-1.34	-76.21
CC[N@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512721	1	53	0.0	-71.14	422.50	-1.15	-72.29
C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024512798	0	50	0.0	-74.86	411.49	-1.30	-76.16
C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024512798	1	50	0.0	-76.34	410.64	-1.29	-77.63
C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024512818	0	50	0.0	-83.79	404.59	-1.93	-85.72
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512840	0	47	0.0	-75.66	383.08	-2.80	-78.46
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512840	1	47	0.0	-74.55	390.08	-2.46	-77.01
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512857	1	49	0.0	-75.51	410.55	-1.60	-77.11
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512857	1	49	0.0	-76.26	413.94	-1.17	-77.43
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512862	0	53	0.0	-77.51	427.16	-1.24	-78.75
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512862	1	53	0.0	-82.00	428.78	-0.89	-82.89
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512921	0	50	0.0	-77.56	396.63	-2.02	-79.58
C[N@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024512921	1	50	0.0	-72.93	404.11	-1.79	-74.72
CC1C(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024512966	0	50	0.0	-78.80	404.90	-1.75	-80.55
CC1C(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024512966	1	50	0.0	-80.48	405.58	-1.72	-82.20
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513013	0	53	0.0	-75.04	425.34	-1.60	-76.64
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513013	1	53	0.0	-74.41	406.89	-2.34	-76.75
C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024513025	0	46	0.0	-77.05	380.99	-2.91	-79.96
C=CCC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024513037	0	53	0.0	-70.44	408.14	-1.84	-72.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@H]1O	REAL300024513049	0	50	0.0	-80.34	411.64	-1.59	-81.93
C[N@H+](CCO)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513055	1	47	0.0	-79.26	392.46	-5.87	-85.13
C[N@@H+](CCO)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513055	1	47	0.0	-78.54	392.28	-5.86	-84.40
C[N@H+]1CC=C(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024513100	0	51	0.0	-76.68	423.51	-0.94	-77.62
C[N@@H+]1CC=C(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024513100	1	51	0.0	-74.60	424.43	-0.95	-75.55
CC1C[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024513140	1	47	0.0	-77.78	396.43	-2.16	-79.94
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024513145	0	53	0.0	-76.85	427.15	-1.11	-77.96
CC[N@H+]1CCCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024513145	1	53	0.0	-70.05	416.66	-1.02	-71.07
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@H]1O	REAL300024513156	0	51	0.0	-63.79	421.08	-0.96	-64.75
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@H]1O	REAL300024513156	1	51	0.0	-74.73	416.38	-1.36	-76.09
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@H]1O	REAL300024513175	0	51	0.0	-82.42	425.32	-0.95	-83.37
CC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513210	0	46	0.0	-77.90	382.14	-2.64	-80.54
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CN2CC3C=CC2C3)C[C@H]1O	REAL300024513237	0	49	0.0	-76.63	403.55	-1.30	-77.93
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@H]1O	REAL300024513237	1	49	0.0	-76.48	403.41	-1.32	-77.80
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@H]1O	REAL300024513237	1	49	0.0	-76.48	403.41	-1.32	-77.80
COCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513310	0	50	0.0	-78.20	414.53	-3.46	-81.66
COCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513310	1	50	0.0	-79.54	414.71	-3.47	-83.01
COCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513310	1	50	0.0	-79.54	414.71	-3.47	-83.01
CC(CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024513313	0	52	0.0	-78.37	421.68	-1.50	-79.87
CC[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024513325	0	50	0.0	-74.47	411.32	-1.28	-75.75
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024513349	0	48	0.0	-81.63	392.42	-2.05	-83.68
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@H]1O	REAL300024513356	0	51	0.0	-75.50	411.53	-1.17	-76.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)C[C@H]1O	REAL300024513356	1	51	0.0	-75.50	411.53	-1.17	-76.67
CC(C[NH+](C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513369	0	49	0.0	-71.23	402.08	-2.20	-73.43
CCN1CCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513396	0	47	0.0	-77.46	396.88	-2.35	-79.81
CC[N@@H+]1CCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513396	1	47	0.0	-75.22	388.99	-2.61	-77.83
CC[N@H+]1CCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513396	1	47	0.0	-75.22	388.99	-2.61	-77.83
CCCC(C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024513430	0	52	0.0	-75.15	412.45	-1.64	-76.79
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513434	0	49	0.0	-79.14	382.46	-2.27	-81.41
CC(CC[NH+](C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513447	0	52	0.0	-79.19	424.17	-1.57	-80.76
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513494	0	53	0.0	-74.11	425.79	-1.28	-75.39
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513494	1	53	0.0	-74.11	425.79	-1.28	-75.39
CN1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024513501	0	52	0.0	-78.73	424.15	-3.76	-82.49
C[NH+]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024513501	1	52	0.0	-78.73	424.15	-3.76	-82.49
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513578	0	50	0.0	-72.93	404.11	-1.79	-74.72
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024513633	0	48	0.0	-81.89	403.38	-1.76	-83.65
C[N@H+]1CCC(=CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024513633	1	48	0.0	-81.89	403.38	-1.76	-83.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CNC2=CC=[NH+]C=C2)C[C@H]1O	REAL300024513635	0	46	0.0	-78.91	401.01	-4.01	-82.92
C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024513684	0	53	0.0	-71.72	398.97	-2.10	-73.82
CCC1CN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024513691	0	50	0.0	-78.77	417.79	-1.40	-80.17
CCC1C[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024513691	1	50	0.0	-78.77	417.79	-1.40	-80.17
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513700	0	47	0.0	-77.77	383.76	-2.80	-80.57
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024513774	0	50	0.0	-80.74	413.33	-1.58	-82.32
C[NH+](C)CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024513781	0	53	0.0	-76.39	434.59	-0.99	-77.38
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513782	0	51	0.0	-82.42	416.30	-1.18	-83.60
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513782	1	51	0.0	-82.42	416.30	-1.18	-83.60
C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513809	0	50	0.0	-77.65	421.17	-2.18	-79.83
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024513832	0	43	0.0	-73.50	391.48	-3.12	-76.62
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@H]1O	REAL300024513883	0	50	0.0	-77.02	407.01	-1.43	-78.45
C[N@@H+]1CCCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024513884	0	50	0.0	-70.99	398.35	-1.77	-72.76
C[N@H+]1CCCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024513884	1	50	0.0	-69.28	408.75	-1.79	-71.07
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@H]1O	REAL300024513885	0	53	0.0	-76.20	416.22	-1.25	-77.45
CN1C=C[N+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024513887	0	45	0.0	-74.66	396.53	0.22	-74.44
C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024513906	1	47	0.0	-74.94	394.67	-1.87	-76.81
CC(CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024513920	0	52	0.0	-80.58	421.53	-1.25	-81.83
C[NH+]1CC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024514011	0	47	0.0	-80.22	396.59	-2.44	-82.66
C[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514020	0	43	0.0	-78.03	365.30	-3.28	-81.31
C[N@H+](CCO)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514033	0	50	0.0	-80.00	414.78	-5.26	-85.26
C[N@@H+](CCO)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514033	1	50	0.0	-79.56	415.56	-5.26	-84.82
C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024514034	0	46	0.0	-77.05	380.99	-2.91	-79.96
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514047	0	53	0.0	-81.71	423.22	-1.07	-82.78
C[N@H+]1CCCCC1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514047	1	53	0.0	-68.70	416.89	-1.19	-69.89
CC(C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024514057	1	50	0.0	-75.02	412.66	-1.75	-76.77
CC1CCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514059	0	47	0.0	-76.04	390.70	-2.38	-78.42
CC1CC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514059	1	47	0.0	-75.30	390.98	-2.48	-77.78
CC1CC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514059	1	47	0.0	-76.04	390.70	-2.38	-78.42
C[NH+](C)CC=CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514065	0	47	0.0	-83.94	400.71	-2.07	-86.01
CC1(C)C[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024514070	1	50	0.0	-78.60	414.75	-1.70	-80.30
CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514104	0	49	0.0	-75.78	396.79	-2.21	-77.99
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1O	REAL300024514113	1	44	0.0	-77.87	375.22	-2.84	-80.71
CC[NH+](CC)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514140	0	52	0.0	-79.27	418.73	-1.60	-80.87
CC(C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024514190	1	47	0.0	-76.04	388.26	-2.54	-78.58
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514199	0	52	0.0	-68.25	401.37	-2.10	-70.35
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514226	0	50	0.0	-76.57	397.04	-2.02	-78.59
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514226	1	50	0.0	-73.71	404.88	-1.75	-75.46
C[NH+](C)CC(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514243	0	50	0.0	-84.08	417.89	-4.22	-88.30
C=CCC(C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024514262	0	50	0.0	-73.43	404.61	-1.92	-75.35
C[NH+]1CCC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024514272	0	53	0.0	-75.26	411.55	-1.80	-77.06
NC(=[NH2+])SCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024514293	0	41	0.0	-75.56	372.32	-6.30	-81.86
C[NH+](C)CCC1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300024514313	0	53	0.0	-74.92	440.84	-0.70	-75.62
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024514314	0	51	0.0	-69.23	411.51	-1.26	-70.49
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024514314	1	51	0.0	-79.68	416.46	-1.19	-80.87
CCC1CN(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024514392	0	50	0.0	-76.57	417.79	-1.33	-77.90
CCC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300024514392	1	50	0.0	-76.57	417.79	-1.33	-77.90
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024514397	0	47	0.0	-74.97	385.13	-2.67	-77.64
CC1C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC[N@@H+]1C	REAL300024514414	0	50	0.0	-74.93	410.85	-1.65	-76.58
CC1C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC[N@H+]1C	REAL300024514414	1	50	0.0	-74.93	410.85	-1.65	-76.58
C[N@@H+]1CCCC1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514582	0	53	0.0	-71.90	422.07	1.61	-70.29
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514675	0	53	0.0	-71.50	420.04	1.52	-69.98
CC(C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300024514754	0	53	0.0	-73.73	417.03	1.32	-72.41
CC(C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024514754	1	53	0.0	-73.73	417.03	1.32	-72.41
C[N@H+](CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024514759	0	53	0.0	-72.50	426.73	2.10	-70.40
C[NH+]1CC(CC(=O)N2CCCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024514764	0	53	0.0	-75.71	428.34	1.62	-74.09
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CN2CCC2)CCCO1	REAL300024514803	0	50	0.0	-75.18	407.63	1.16	-74.02
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CCC2)CCCO1	REAL300024514803	1	50	0.0	-75.18	407.63	1.16	-74.02
CC1CN(CC(=O)N2CCCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024514817	0	53	0.0	-75.01	428.40	1.86	-73.15
CC1C[NH+](CC(=O)N2CCCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024514817	1	53	0.0	-75.01	428.40	1.86	-73.15
CC[N@H+](C)CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514832	0	52	0.0	-74.71	414.75	1.40	-73.31
C[NH+](C)CC=CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514847	0	53	0.0	-73.87	432.25	1.99	-71.88
CCN1CCC1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514851	0	53	0.0	-72.17	420.66	1.34	-70.83
CC[N@@H+]1CCC1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514851	1	53	0.0	-74.05	427.14	1.68	-72.37
CC[N@H+]1CCC1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514851	1	53	0.0	-74.05	427.14	1.68	-72.37
CC1CCN1CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514903	0	53	0.0	-72.61	423.12	1.52	-71.09
CC1CC[N@@H+]1CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514903	1	53	0.0	-73.82	428.74	1.77	-72.05
CC1CC[N@H+]1CC(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024514903	1	53	0.0	-73.82	428.74	1.77	-72.05
C[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515003	0	53	0.0	-64.68	423.37	1.88	-62.80
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515153	0	53	0.0	-65.53	417.03	1.39	-64.14
C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515153	1	53	0.0	-64.37	423.23	1.83	-62.54
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1)[NH+](C)C	REAL300024515204	0	52	0.0	-65.42	415.45	1.18	-64.24
CC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCCO2)C1	REAL300024515225	1	53	0.0	-68.05	427.13	2.00	-66.05
CC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515242	0	52	0.0	-66.93	415.07	1.45	-65.48
CC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515242	1	52	0.0	-66.81	415.07	1.46	-65.35
C[NH+](C)C1(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCCO2)CC1	REAL300024515268	0	53	0.0	-69.54	420.49	1.99	-67.55
C[C@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1)[NH+](C)C	REAL300024515272	0	52	0.0	-65.58	415.18	1.26	-64.32
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515274	1	53	0.0	-64.95	421.18	1.64	-63.31
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515274	1	53	0.0	-66.17	428.97	1.81	-64.36
[N-]=[N+]=NCC(=O)NCC1CN(C(=O)CSC2=NC(=O)NN2)CCCO1	REAL300024515319	0	43	0.0	-22.86	374.34	-3.62	-26.48
C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515330	0	53	0.0	-64.69	423.10	1.88	-62.81
C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515330	1	53	0.0	-65.23	417.35	1.32	-63.91
C[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1)C1CC1	REAL300024515361	0	53	0.0	-64.60	426.31	2.25	-62.35
C[N@@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1)C1CC1	REAL300024515361	1	53	0.0	-64.83	426.75	2.19	-62.64
C[NH+]1CC(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCCO2)C1	REAL300024515383	0	53	0.0	-70.45	428.49	1.67	-68.78
C[NH+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515386	0	49	0.0	-68.04	397.05	0.84	-67.20
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1)[NH+](C)C	REAL300024515389	0	52	0.0	-65.42	415.45	1.18	-64.24
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515396	1	53	0.0	-65.30	423.12	1.60	-63.70
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515396	1	53	0.0	-65.45	423.45	1.72	-63.73
C[NH+](C)CC=CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024515397	0	53	0.0	-73.83	434.27	2.09	-71.74
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCCO1)[NH+]1CCC1	REAL300024515420	1	53	0.0	-66.16	427.34	1.72	-64.44
C[N@@H+]1CCC[C@H]1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024515474	0	53	0.0	-71.37	422.01	1.57	-69.80
C[N@H+]1CCC[C@H]1C(=O)N1CCCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024515474	1	53	0.0	-73.09	415.74	1.25	-71.84
C[N@@H+]1CCCC1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515597	0	53	0.0	-73.68	421.05	1.79	-71.89
C[N@H+]1CCCC1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515597	1	53	0.0	-69.40	421.23	1.82	-67.58
CCC(C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300024515700	0	55	0.0	-72.06	429.62	2.08	-69.98
CCC[N@H+](C)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515705	0	55	0.0	-73.88	440.32	2.64	-71.24
CCC[N@@H+](C)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515705	1	55	0.0	-73.94	440.45	2.68	-71.26
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515713	0	53	0.0	-72.48	418.95	1.69	-70.79
C[N@H+]1CCC[C@@H]1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515713	1	53	0.0	-70.34	426.19	2.36	-67.98
CC[NH+](CC)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515718	0	55	0.0	-67.97	437.22	2.59	-65.38
CC[N@H+](C)CCC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515776	0	55	0.0	-70.80	441.22	2.44	-68.36
CC[N@@H+](C)CCC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515776	1	55	0.0	-75.10	441.22	2.45	-72.65
CC[C@@H](C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300024515779	0	55	0.0	-70.47	429.09	2.17	-68.30
C[NH+](C)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515797	0	49	0.0	-70.02	401.21	1.26	-68.76
CC(C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+]1CCC1	REAL300024515801	1	53	0.0	-71.32	429.27	2.30	-69.02
C[N@H+](CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)C1CC1	REAL300024515808	0	53	0.0	-66.81	430.39	2.64	-64.17
C[N@@H+](CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)C1CC1	REAL300024515808	1	53	0.0	-71.30	430.53	2.64	-68.66
C[NH+]1CC(CC(=O)NC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C23CCC3)C1	REAL300024515814	0	53	0.0	-74.74	432.23	1.97	-72.77
C[C@@H](C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300024515821	0	52	0.0	-71.71	419.17	1.63	-70.08
[N-]=[N+]=NCC(=O)NC1CC(NC(=O)CSC2=NC(=O)NN2)C12CCC2	REAL300024515824	0	43	0.0	-23.67	378.09	-3.16	-26.83
C[C@@H](C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300024515843	0	52	0.0	-71.71	419.17	1.63	-70.08
C[C@H](C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300024515872	0	52	0.0	-72.91	417.04	1.55	-71.36
CC1C[NH+](CC(=O)NC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C23CCC3)C1	REAL300024515879	1	53	0.0	-73.86	432.05	2.31	-71.55
C[N@H+](CCO)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515890	1	53	0.0	-74.23	429.17	-1.35	-75.58
C[N@@H+](CCO)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515890	1	53	0.0	-74.08	429.09	-1.29	-75.37
CC[N@H+](C)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515897	0	52	0.0	-73.52	418.83	1.90	-71.62
CC[N@@H+](C)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515897	1	52	0.0	-73.56	418.96	1.94	-71.62
C[NH+](C)CC=CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515915	0	53	0.0	-78.24	436.13	2.39	-75.85
CC[N@@H+]1CCC1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515921	1	53	0.0	-72.92	422.88	2.00	-70.92
CC[N@H+]1CCC1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515921	1	53	0.0	-72.90	432.85	2.29	-70.61
C[NH+](C)C(C)(C)C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515935	0	55	0.0	-71.88	428.54	2.40	-69.48
C[NH+](C)C1(C(=O)NC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C23CCC3)CC1	REAL300024515958	0	53	0.0	-68.64	428.04	1.94	-66.70
CC(C[NH+](C)C)C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515980	0	55	0.0	-75.16	437.31	2.42	-72.74
CC1CC[N@@H+]1CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515991	1	53	0.0	-67.88	432.53	2.36	-65.52
CC1CC[N@H+]1CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024515991	1	53	0.0	-68.50	432.56	2.36	-66.14
C[N@@H+]1CCCC1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516106	0	53	0.0	-73.68	421.05	1.79	-71.89
C[N@H+]1CCCC1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516106	1	53	0.0	-69.40	421.23	1.82	-67.58
CCC(C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300024516180	0	55	0.0	-72.06	429.62	2.08	-69.98
CCC[N@H+](C)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516184	0	55	0.0	-73.88	440.32	2.64	-71.24
CCC[N@@H+](C)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516184	1	55	0.0	-73.94	440.45	2.68	-71.26
CC[N@H+](C)CCC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516201	0	55	0.0	-70.80	441.22	2.44	-68.36
CC[N@@H+](C)CCC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516201	1	55	0.0	-75.10	441.22	2.45	-72.65
CC[C@@H](C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300024516242	0	55	0.0	-70.47	429.09	2.17	-68.30
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516288	0	53	0.0	-72.48	418.95	1.69	-70.79
C[N@H+]1CCC[C@@H]1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516288	1	53	0.0	-70.34	426.19	2.36	-67.98
C[C@@H](C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300024516343	0	52	0.0	-71.71	419.17	1.63	-70.08
C[N@H+](CCO)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516353	1	53	0.0	-74.23	429.17	-1.35	-75.58
C[N@@H+](CCO)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516353	1	53	0.0	-74.08	429.09	-1.29	-75.37
CC1C[NH+](CC(=O)NC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C23CCC3)C1	REAL300024516369	1	53	0.0	-73.86	432.05	2.31	-71.55
CC[N@H+](C)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516387	0	52	0.0	-73.52	418.83	1.90	-71.62
CC[N@@H+](C)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516387	1	52	0.0	-73.56	418.96	1.94	-71.62
CC(C[NH+](C)C)C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516420	0	55	0.0	-75.16	437.31	2.42	-72.74
C[NH+](C)C1(C(=O)NC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C23CCC3)CC1	REAL300024516423	0	53	0.0	-68.64	428.04	1.94	-66.70
C[C@H](C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300024516427	0	52	0.0	-72.91	417.04	1.55	-71.36
CC[N@@H+]1CCC1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516430	1	53	0.0	-72.92	422.88	2.00	-70.92
CC[N@H+]1CCC1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516430	1	53	0.0	-72.90	432.85	2.29	-70.61
C[NH+](C)C(C)(C)C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516439	0	55	0.0	-71.88	428.54	2.40	-69.48
[N-]=[N+]=NCC(=O)NC1CC(NC(=O)CSC2=NC(=O)NN2)C12CCC2	REAL300024516488	0	43	0.0	-23.67	378.09	-3.16	-26.83
C[N@@H+]1CCC[C@H]1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516501	0	53	0.0	-65.97	427.24	2.13	-63.84
C[N@H+]1CCC[C@H]1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516501	1	53	0.0	-73.76	421.27	1.83	-71.93
C[N@H+](CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)C1CC1	REAL300024516538	0	53	0.0	-66.81	430.39	2.64	-64.17
C[N@@H+](CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)C1CC1	REAL300024516538	1	53	0.0	-71.30	430.53	2.64	-68.66
C[NH+]1CC(CC(=O)NC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C23CCC3)C1	REAL300024516566	0	53	0.0	-74.74	432.23	1.97	-72.77
C[NH+](C)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516569	0	49	0.0	-70.02	401.21	1.26	-68.76
C[C@@H](C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300024516572	0	52	0.0	-71.71	419.17	1.63	-70.08
CC1CC[N@@H+]1CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516581	1	53	0.0	-67.88	432.53	2.36	-65.52
CC1CC[N@H+]1CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516581	1	53	0.0	-68.50	432.56	2.36	-66.14
C[NH+](C)CC=CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516582	0	53	0.0	-78.24	436.13	2.39	-75.85
CC[NH+](CC)CC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516588	0	55	0.0	-67.97	437.22	2.59	-65.38
CC(C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+]1CCC1	REAL300024516612	1	53	0.0	-71.32	429.27	2.30	-69.02
NC(=[NH2+])SCC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516652	0	47	0.0	-70.78	409.15	-1.77	-72.55
C[N@@H+]1CCC[C@H]1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516684	0	53	0.0	-65.97	427.24	2.13	-63.84
C[N@H+]1CCC[C@H]1C(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024516684	1	53	0.0	-73.76	421.27	1.83	-71.93
C[N@@H+]1CCCC1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024516811	0	53	0.0	-66.28	411.56	3.00	-63.28
C[N@H+]1CCCC1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024516811	1	53	0.0	-67.51	412.20	3.13	-64.38
CCC(C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024516914	0	55	0.0	-69.83	415.91	3.04	-66.79
CCC[N@H+](C)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024516919	0	55	0.0	-72.19	427.55	3.47	-68.72
CCC[N@@H+](C)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024516919	1	55	0.0	-72.32	427.55	3.46	-68.86
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024516927	0	53	0.0	-70.71	409.38	2.73	-67.98
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024516927	1	53	0.0	-68.77	412.30	2.86	-65.91
CC[NH+](CC)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024516932	0	55	0.0	-68.88	421.82	3.34	-65.54
CC[N@H+](C)CCC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024516990	0	55	0.0	-71.72	430.88	3.51	-68.21
CC[N@@H+](C)CCC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024516990	1	55	0.0	-71.81	430.92	3.51	-68.30
CC[C@@H](C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024516993	0	55	0.0	-72.02	416.80	3.11	-68.91
C[NH+](C)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517011	0	49	0.0	-70.87	390.78	2.27	-68.60
CC(C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300024517015	1	53	0.0	-72.70	407.00	2.70	-70.00
C[N@H+](CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024517022	0	53	0.0	-68.39	420.20	3.68	-64.71
C[N@@H+](CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024517022	1	53	0.0	-69.94	417.69	3.48	-66.46
C[NH+]1CC(CC(=O)N2CC3CCC2C(NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024517028	0	53	0.0	-69.70	422.19	3.13	-66.57
C[C@@H](C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024517035	0	52	0.0	-69.56	405.95	2.54	-67.02
[N-]=[N+]=NCC(=O)N1CC2CCC1C(NC(=O)CSC1=NC(=O)NN1)C2	REAL300024517038	0	43	0.0	-24.30	365.25	-2.33	-26.63
C[C@@H](C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024517057	0	52	0.0	-69.56	405.95	2.54	-67.02
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC1N(C(=O)C[NH+]1CCC1)C2	REAL300024517075	1	50	0.0	-72.83	398.46	2.47	-70.36
C[C@H](C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024517086	0	52	0.0	-67.50	405.81	2.53	-64.97
CC1C[NH+](CC(=O)N2CC3CCC2C(NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024517093	1	53	0.0	-72.26	419.69	3.21	-69.05
C[N@H+](CCO)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517104	1	53	0.0	-73.43	416.40	-0.51	-73.94
C[N@@H+](CCO)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517104	1	53	0.0	-72.38	416.16	-0.50	-72.88
CC[N@H+](C)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517111	0	52	0.0	-70.28	408.50	2.93	-67.35
CC[N@@H+](C)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517111	1	52	0.0	-71.98	406.06	2.73	-69.25
C[NH+](C)CC=CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517129	0	53	0.0	-78.06	423.25	3.27	-74.79
CC[N@@H+]1CCC1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517135	1	53	0.0	-68.07	414.22	2.92	-65.15
CC[N@H+]1CCC1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517135	1	53	0.0	-70.34	411.18	2.65	-67.69
C[NH+](C)C(C)(C)C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517149	0	55	0.0	-69.53	408.71	2.74	-66.79
C[NH+](C)C1(C(=O)N2CC3CCC2C(NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024517172	0	53	0.0	-72.84	404.93	3.18	-69.66
CC(C[NH+](C)C)C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517194	0	55	0.0	-71.49	429.72	3.34	-68.15
CC1CC[N@@H+]1CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517205	1	53	0.0	-71.28	419.77	3.17	-68.11
CC1CC[N@H+]1CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517205	1	53	0.0	-70.85	419.81	3.15	-67.70
C[N@@H+]1CCCC1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517320	0	53	0.0	-61.14	410.72	2.86	-58.28
C[N@H+]1CCCC1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517320	1	53	0.0	-74.45	408.05	2.66	-71.79
CCC(C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024517394	0	55	0.0	-59.43	421.51	3.32	-56.11
CCC[N@H+](C)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517398	0	55	0.0	-61.56	430.08	3.73	-57.83
CCC[N@@H+](C)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517398	1	55	0.0	-61.46	430.05	3.75	-57.71
CC[N@H+](C)CCC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517415	0	55	0.0	-63.13	430.88	3.53	-59.60
CC[N@@H+](C)CCC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517415	1	55	0.0	-63.06	430.95	3.53	-59.53
CC[C@@H](C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024517456	0	55	0.0	-59.46	421.07	3.34	-56.12
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517502	0	53	0.0	-61.12	410.81	2.87	-58.25
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517502	1	53	0.0	-69.73	413.17	3.17	-66.56
C[C@@H](C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024517557	0	52	0.0	-60.80	408.89	2.74	-58.06
C[N@H+](CCO)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517567	1	53	0.0	-61.69	418.90	-0.24	-61.93
C[N@@H+](CCO)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517567	1	53	0.0	-61.50	418.69	-0.24	-61.74
CC1C[NH+](CC(=O)NC2CC3CCC2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024517583	1	53	0.0	-61.53	421.82	3.41	-58.12
CC[N@H+](C)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517601	0	52	0.0	-61.15	408.57	2.99	-58.16
CC[N@@H+](C)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517601	1	52	0.0	-61.11	408.55	3.00	-58.11
CC(C[NH+](C)C)C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517634	0	55	0.0	-75.17	426.72	3.38	-71.79
C[NH+](C)C1(C(=O)NC2CC3CCC2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024517637	0	53	0.0	-58.43	414.68	3.33	-55.10
C[C@H](C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024517641	0	52	0.0	-60.77	408.99	2.74	-58.03
CC[N@@H+]1CCC1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517644	1	53	0.0	-71.40	412.86	2.84	-68.56
CC[N@H+]1CCC1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517644	1	53	0.0	-72.40	419.96	3.13	-69.27
C[NH+](C)C(C)(C)C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517653	0	55	0.0	-78.79	414.36	3.23	-75.56
[N-]=[N+]=NCC(=O)NC1CC2CCC1N(C(=O)CSC1=NC(=O)NN1)C2	REAL300024517702	0	43	0.0	-23.93	365.29	-2.28	-26.21
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517715	0	53	0.0	-69.79	414.25	3.09	-66.70
C[N@H+]1CCC[C@H]1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517715	1	53	0.0	-59.55	410.66	2.89	-56.66
C[N@H+](CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024517752	0	53	0.0	-59.18	420.12	3.73	-55.45
C[N@@H+](CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024517752	1	53	0.0	-59.33	420.26	3.74	-55.59
C[NH+]1CC(CC(=O)NC2CC3CCC2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024517780	0	53	0.0	-73.56	419.73	2.95	-70.61
C[NH+](C)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517783	0	49	0.0	-73.80	388.28	2.14	-71.66
C[C@@H](C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024517786	0	52	0.0	-60.80	408.89	2.74	-58.06
CC1CC[N@@H+]1CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517795	1	53	0.0	-60.10	422.44	3.47	-56.63
CC1CC[N@H+]1CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517795	1	53	0.0	-60.35	422.09	3.41	-56.94
C[NH+](C)CC=CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517796	0	53	0.0	-66.48	428.08	3.58	-62.90
CC[NH+](CC)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517802	0	55	0.0	-71.55	419.87	3.22	-68.33
CC(C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300024517826	1	53	0.0	-59.09	421.17	3.33	-55.76
NC(=[NH2+])SCC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517866	0	47	0.0	-72.35	399.31	-0.80	-73.15
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517898	0	53	0.0	-68.50	408.84	2.79	-65.71
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024517898	1	53	0.0	-70.73	409.01	2.74	-67.99
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@@H+]1C	REAL300024518105	0	49	0.0	-69.71	399.98	1.76	-67.95
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@H+]1C	REAL300024518105	1	49	0.0	-68.12	400.30	1.73	-66.39
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[N@H+](C)CCO1	REAL300024518129	1	50	0.0	-80.42	412.08	1.22	-79.20
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[N@@H+](C)CCO1	REAL300024518129	1	50	0.0	-86.52	411.22	1.15	-85.37
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518273	0	55	0.0	-70.70	421.92	2.70	-68.00
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518273	1	55	0.0	-70.52	426.89	2.96	-67.56
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518296	1	47	0.0	-68.87	403.33	2.30	-66.57
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[NH+]2CCC1CC2	REAL300024518316	0	53	0.0	-81.45	414.88	2.47	-78.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024518344	0	52	0.0	-73.74	412.43	1.97	-71.77
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024518344	1	52	0.0	-76.92	416.80	1.99	-74.93
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300024518346	0	55	0.0	-75.23	430.78	2.37	-72.86
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300024518346	1	55	0.0	-74.75	436.22	2.70	-72.05
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024518351	1	53	0.0	-82.64	428.94	1.79	-80.85
CC[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024518351	1	53	0.0	-84.81	429.12	1.79	-83.02
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518396	0	55	0.0	-70.04	422.45	2.38	-67.66
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCC[NH+]1CCCC1	REAL300024518398	0	55	0.0	-71.37	444.50	3.30	-68.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[NH+]1CCCCC1	REAL300024518401	0	55	0.0	-72.06	438.69	3.20	-68.86
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518404	0	55	0.0	-69.17	424.06	2.78	-66.39
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518404	1	55	0.0	-68.36	433.56	2.94	-65.42
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300024518414	0	52	0.0	-73.74	408.03	1.90	-71.84
CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024518420	0	54	0.0	-71.26	421.20	2.90	-68.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300024518438	0	52	0.0	-71.81	420.02	2.67	-69.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300024518438	1	52	0.0	-71.08	419.95	2.68	-68.40
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518492	1	51	0.0	-70.67	421.31	2.50	-68.17
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518492	1	51	0.0	-71.56	426.31	2.98	-68.58
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCC1CCC[N@@H+]1C	REAL300024518497	0	55	0.0	-70.78	436.62	2.80	-67.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCC1CCC[N@H+]1C	REAL300024518497	1	55	0.0	-77.11	437.33	3.04	-74.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	REAL300024518513	0	52	0.0	-73.97	419.25	2.43	-71.54
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300024518540	0	52	0.0	-70.04	407.47	2.18	-67.86
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@H+]1C	REAL300024518540	1	52	0.0	-69.72	416.61	2.38	-67.34
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[NH+]1CCOCC1	REAL300024518593	1	53	0.0	-75.87	430.08	0.77	-75.10
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518605	1	47	0.0	-72.82	403.46	3.04	-69.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2	REAL300024518621	0	53	0.0	-76.05	419.38	2.73	-73.32
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300024518626	0	52	0.0	-74.61	420.20	2.30	-72.31
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300024518626	1	52	0.0	-73.86	420.79	2.31	-71.55
CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024518632	0	51	0.0	-69.32	404.94	1.79	-67.53
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCCC[NH+](C)C	REAL300024518679	0	54	0.0	-72.99	440.04	2.90	-70.09
CC(C)C(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024518690	0	54	0.0	-71.22	424.13	2.86	-68.36
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518691	0	54	0.0	-73.43	436.35	2.72	-70.71
CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518691	1	54	0.0	-73.39	436.29	2.70	-70.69
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518694	0	51	0.0	-71.77	413.88	2.19	-69.58
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518694	1	51	0.0	-71.94	413.89	2.19	-69.75
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300024518707	0	53	0.0	-73.14	415.83	1.93	-71.21
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300024518707	1	53	0.0	-74.00	415.46	1.97	-72.03
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024518729	0	49	0.0	-69.65	398.87	1.76	-67.89
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C	REAL300024518729	1	49	0.0	-69.10	394.64	1.29	-67.81
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518756	0	51	0.0	-71.56	410.02	2.06	-69.50
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1	REAL300024518809	0	55	0.0	-72.46	437.66	3.24	-69.22
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300024518827	0	52	0.0	-68.00	425.62	2.43	-65.57
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	REAL300024518873	0	52	0.0	-73.97	419.25	2.43	-71.54
CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024518888	0	54	0.0	-69.40	420.61	2.54	-66.86
CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](CC)CC	REAL300024518915	0	57	0.0	-65.20	438.17	3.24	-61.96
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518945	0	51	0.0	-72.71	414.80	1.95	-70.76
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518945	1	51	0.0	-72.64	414.80	1.95	-70.69
CC1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518968	0	52	0.0	-71.22	419.11	2.50	-68.72
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024518968	1	52	0.0	-68.54	413.41	2.14	-66.40
CC1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024518969	0	52	0.0	-71.32	420.05	2.50	-68.82
CC1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024518969	1	52	0.0	-71.07	420.77	2.51	-68.56
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024518971	0	55	0.0	-71.45	440.37	3.02	-68.43
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300024518971	1	55	0.0	-73.34	439.13	2.93	-70.41
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300024518972	0	57	0.0	-71.93	444.79	3.35	-68.58
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300024518972	1	57	0.0	-71.34	444.28	3.27	-68.07
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024518979	0	51	0.0	-70.46	404.11	1.70	-68.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+](C)C	REAL300024519051	0	45	0.0	-72.05	374.68	0.77	-71.28
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CCCCCC1	REAL300024519054	0	55	0.0	-70.84	425.73	2.84	-68.00
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300024519057	0	47	0.0	-70.15	404.94	4.21	-65.94
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300024519061	0	52	0.0	-66.99	412.05	2.53	-64.46
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300024519061	1	52	0.0	-71.22	419.27	2.40	-68.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300024519066	0	53	0.0	-71.61	427.21	2.76	-68.85
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@H+]1C1CC1	REAL300024519066	1	53	0.0	-68.27	421.28	2.43	-65.84
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CCC1	REAL300024519078	1	49	0.0	-68.88	404.69	1.70	-67.18
CCC(CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C[NH+](C)C	REAL300024519082	0	57	0.0	-73.28	447.48	3.59	-69.69
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C(C)(C)C[NH+](C)C	REAL300024519087	0	54	0.0	-72.90	420.97	2.37	-70.53
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CCC(O)CC1	REAL300024519098	1	53	0.0	-76.03	427.52	-0.73	-76.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)C1CC1	REAL300024519099	0	49	0.0	-69.73	404.08	2.17	-67.56
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300024519099	1	49	0.0	-70.36	403.08	2.10	-68.26
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1C[NH+](C)C1	REAL300024519113	0	49	0.0	-70.90	406.08	1.60	-69.30
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024519123	0	55	0.0	-68.26	420.09	1.90	-66.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300024519123	1	55	0.0	-67.79	436.16	2.46	-65.33
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024519133	0	48	0.0	-72.45	391.90	1.11	-71.34
C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1NC(=O)CN=[N+]=[N-]	REAL300024519140	0	39	0.0	-24.64	350.67	-3.70	-28.34
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1C=CSC1=[NH2+]	REAL300024519182	0	45	0.0	-68.58	400.97	0.87	-67.71
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[N@H+](C)CCO	REAL300024519187	0	52	0.0	-71.93	425.14	-1.25	-73.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[N@@H+](C)CCO	REAL300024519187	1	52	0.0	-72.36	425.13	-1.27	-73.63
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024519188	0	48	0.0	-72.45	391.90	1.11	-71.34
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024519191	0	52	0.0	-68.95	415.67	2.30	-66.65
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024519191	1	52	0.0	-68.42	407.33	2.19	-66.23
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300024519250	0	50	0.0	-73.38	413.56	2.29	-71.09
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300024519250	1	50	0.0	-75.47	412.86	2.23	-73.24
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)COCC[NH+](C)C	REAL300024519270	0	52	0.0	-69.76	430.53	1.83	-67.93
C=CCC(C)(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024519281	0	55	0.0	-67.64	429.84	2.82	-64.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024519298	0	53	0.0	-75.62	423.17	-1.13	-76.75
CC1CN(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024519315	0	49	0.0	-74.30	404.00	1.85	-72.45
CC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024519315	1	49	0.0	-74.30	404.00	1.85	-72.45
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN(C)CCO	REAL300024519332	0	49	0.0	-74.60	401.78	-1.87	-76.47
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)CCO	REAL300024519332	1	49	0.0	-71.65	402.52	-1.80	-73.45
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)CCO	REAL300024519332	1	49	0.0	-71.65	402.52	-1.80	-73.45
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024519351	0	55	0.0	-65.64	430.66	3.25	-62.39
CC[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024519351	1	55	0.0	-65.64	430.66	3.25	-62.39
CC(CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C[NH+](C)C	REAL300024519353	0	54	0.0	-76.88	431.78	2.76	-74.12
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519356	0	48	0.0	-71.59	392.39	1.45	-70.14
CC[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C1CC1	REAL300024519380	0	52	0.0	-70.57	416.05	2.69	-67.88
CC[NH+](CC)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519388	0	54	0.0	-71.84	432.79	2.69	-69.15
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024519418	0	53	0.0	-71.32	430.56	-0.83	-72.15
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=CC[NH+](C)C	REAL300024519421	0	49	0.0	-75.49	411.93	2.00	-73.49
COCCN(C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519434	0	52	0.0	-71.29	424.77	0.61	-70.68
COCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519434	1	52	0.0	-73.21	424.99	0.61	-72.60
COCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519434	1	52	0.0	-73.21	424.99	0.61	-72.60
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1([NH+](C)C)CCCC1	REAL300024519451	0	55	0.0	-66.85	421.94	3.05	-63.80
CC(CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024519453	0	54	0.0	-71.05	432.05	2.48	-68.57
CCN1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519459	0	49	0.0	-70.84	406.33	1.73	-69.11
CC[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519459	1	49	0.0	-72.57	405.42	1.73	-70.84
CC[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519459	1	49	0.0	-72.57	405.42	1.73	-70.84
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CCCC1CO	REAL300024519469	0	53	0.0	-71.25	429.32	-0.57	-71.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(C)CC[NH+](C)CC1	REAL300024519485	0	55	0.0	-70.74	431.75	2.80	-67.94
C=CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024519501	0	52	0.0	-70.53	416.81	2.15	-68.38
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024519508	0	55	0.0	-69.11	440.55	2.88	-66.23
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCCCC[NH+](C)C	REAL300024519510	0	57	0.0	-72.22	461.55	3.69	-68.53
CCCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024519527	0	54	0.0	-73.71	427.84	2.61	-71.10
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300024519530	0	51	0.0	-78.99	401.77	1.89	-77.10
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300024519553	0	52	0.0	-69.72	416.61	2.38	-67.34
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1=CC[N@H+](C)CC1	REAL300024519572	0	53	0.0	-68.45	432.95	3.02	-65.43
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1=CC[N@@H+](C)CC1	REAL300024519572	1	53	0.0	-68.45	432.95	3.02	-65.43
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=CC[NH+]1CCCC1	REAL300024519602	0	53	0.0	-74.10	437.01	3.17	-70.93
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[NH+]1CCCC1	REAL300024519629	0	52	0.0	-72.00	422.98	2.50	-69.50
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024519654	0	50	0.0	-77.26	405.13	1.97	-75.29
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300024519659	0	53	0.0	-72.07	420.20	2.81	-69.26
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1CC2C=CC1C2	REAL300024519694	0	51	0.0	-72.15	413.07	2.68	-69.47
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024519694	1	51	0.0	-70.25	412.65	2.57	-67.68
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CC2C=CC1C2	REAL300024519694	1	51	0.0	-70.25	412.65	2.57	-67.68
CC(C[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519724	0	51	0.0	-72.48	413.09	2.04	-70.44
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CCCC[N@@H+]1C	REAL300024519763	0	55	0.0	-67.50	425.52	2.76	-64.74
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CCCC[N@H+]1C	REAL300024519763	1	55	0.0	-67.50	425.52	2.76	-64.74
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)N1CC(C)C1	REAL300024519772	0	52	0.0	-69.06	423.83	2.46	-66.60
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CC(C)C1	REAL300024519772	1	52	0.0	-69.06	423.83	2.46	-66.60
CC1CCN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519774	0	49	0.0	-69.39	400.39	1.59	-67.80
CC1CC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519774	1	49	0.0	-69.57	400.44	1.56	-68.01
CC1CC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519774	1	49	0.0	-69.57	400.44	1.56	-68.01
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC(O)C[NH+](C)C	REAL300024519776	0	52	0.0	-75.72	427.27	-0.18	-75.90
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CN(C)CC(C)O1	REAL300024519793	0	53	0.0	-88.03	425.24	1.46	-86.57
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300024519793	1	53	0.0	-71.41	426.15	1.77	-69.64
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300024519793	1	53	0.0	-71.41	426.15	1.77	-69.64
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024519831	0	52	0.0	-74.56	423.40	2.41	-72.15
CC(CC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024519835	0	54	0.0	-71.48	434.73	2.66	-68.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1CCN(C)CC1	REAL300024519850	0	54	0.0	-71.68	433.68	0.28	-71.40
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1CC[NH+](C)CC1	REAL300024519850	1	54	0.0	-71.68	433.68	0.28	-71.40
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520020	0	49	0.0	-62.22	397.12	1.43	-60.79
C[C@@H]1CN(C(=O)C2CN(C)CCO2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520046	0	50	0.0	-65.47	399.66	0.79	-64.68
C[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520046	1	50	0.0	-69.56	400.12	0.81	-68.75
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520046	1	50	0.0	-69.56	400.12	0.81	-68.75
C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520194	1	53	0.0	-68.63	429.16	0.69	-67.94
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520202	0	53	0.0	-60.82	410.86	2.07	-58.75
C[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520225	0	52	0.0	-68.44	421.07	2.34	-66.10
C[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520225	1	52	0.0	-68.57	421.41	2.30	-66.27
CCC(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024520231	0	51	0.0	-62.49	401.46	1.52	-60.97
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520263	0	54	0.0	-69.27	439.09	2.81	-66.46
CC(C)C(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024520276	0	54	0.0	-62.09	415.08	2.08	-60.01
CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520277	0	54	0.0	-67.65	436.26	2.71	-64.94
CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520277	1	54	0.0	-67.71	435.32	2.62	-65.09
CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520280	0	51	0.0	-64.38	413.09	2.05	-62.33
CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520280	1	51	0.0	-65.46	413.90	2.15	-63.31
C[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520293	0	53	0.0	-67.50	407.52	1.61	-65.89
C[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520293	1	53	0.0	-77.72	407.14	1.56	-76.16
C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520318	0	55	0.0	-65.05	437.23	3.21	-61.84
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520355	0	52	0.0	-67.37	421.64	2.16	-65.21
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520372	0	51	0.0	-67.09	414.76	1.97	-65.12
CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520372	1	51	0.0	-67.19	414.76	1.97	-65.22
C[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520384	0	53	0.0	-65.68	410.67	2.18	-63.50
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520422	0	52	0.0	-69.05	418.90	2.26	-66.79
CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024520437	0	54	0.0	-64.31	417.54	2.23	-62.08
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520500	0	52	0.0	-61.60	402.04	1.51	-60.09
CCC(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024520527	0	57	0.0	-59.97	434.78	2.83	-57.14
CC1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520536	0	52	0.0	-62.37	419.58	2.40	-59.97
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520536	1	52	0.0	-61.10	412.53	2.00	-59.10
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520563	0	55	0.0	-62.29	423.67	2.91	-59.38
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520563	1	55	0.0	-60.82	428.35	2.60	-58.22
CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024520570	0	54	0.0	-61.93	418.66	2.22	-59.71
CC1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024520580	0	52	0.0	-64.18	419.85	2.37	-61.81
CC1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024520580	1	52	0.0	-64.02	420.81	2.47	-61.55
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520582	0	55	0.0	-64.18	439.74	2.98	-61.20
C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520582	1	55	0.0	-63.11	438.83	2.90	-60.21
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520583	0	57	0.0	-64.01	444.59	3.26	-60.75
C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520583	1	57	0.0	-63.99	444.44	3.22	-60.77
CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024520590	0	51	0.0	-61.82	400.65	1.49	-60.33
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520670	1	47	0.0	-63.18	404.09	2.32	-60.86
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024520713	1	53	0.0	-64.43	417.44	1.43	-63.00
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024520713	1	53	0.0	-75.71	417.66	1.43	-74.28
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520733	1	47	0.0	-65.53	403.38	3.02	-62.51
C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520738	0	52	0.0	-66.24	409.96	1.59	-64.65
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520738	1	52	0.0	-65.78	415.04	2.26	-63.52
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024520740	0	55	0.0	-66.68	427.33	2.25	-64.43
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024520740	1	55	0.0	-65.83	436.27	2.80	-63.03
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520745	0	55	0.0	-59.95	430.49	2.51	-57.44
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520747	0	55	0.0	-67.13	443.47	3.22	-63.91
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520751	0	55	0.0	-66.43	437.73	3.10	-63.33
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520754	0	55	0.0	-63.13	424.90	2.62	-60.51
CC[N@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520754	1	55	0.0	-61.21	432.63	2.90	-58.31
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520834	0	52	0.0	-62.94	420.93	2.70	-60.24
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520834	1	52	0.0	-62.86	421.02	2.70	-60.16
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520858	0	52	0.0	-69.05	418.90	2.26	-66.79
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520880	0	49	0.0	-62.67	394.99	1.51	-61.16
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520880	1	49	0.0	-64.57	392.41	1.15	-63.42
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520897	1	51	0.0	-61.59	419.93	2.41	-59.18
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024520897	1	51	0.0	-62.21	423.51	2.78	-59.43
C[C@@H]1CN(C(=O)CCC2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520902	0	55	0.0	-66.98	438.28	3.09	-63.89
C[C@@H]1CN(C(=O)CCC2CCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520902	1	55	0.0	-66.77	436.56	2.77	-64.00
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520965	0	52	0.0	-62.91	414.24	2.20	-60.71
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520965	1	52	0.0	-66.07	406.44	1.92	-64.15
CC1C(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024521014	0	52	0.0	-66.50	410.86	1.98	-64.52
CC1C(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024521014	1	52	0.0	-64.38	415.29	2.21	-62.17
C[C@@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521064	0	55	0.0	-60.56	435.15	2.31	-58.25
C[C@@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521064	1	55	0.0	-60.91	413.50	1.70	-59.21
C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024521077	0	48	0.0	-63.35	390.45	1.02	-62.33
C=CCC(C)(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024521089	0	55	0.0	-66.30	416.80	2.59	-63.71
C[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521101	0	52	0.0	-65.53	421.61	2.34	-63.19
C[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521109	1	49	0.0	-65.79	402.74	-1.84	-67.63
C[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521109	1	49	0.0	-64.52	401.69	-1.91	-66.43
C[C@@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521155	0	53	0.0	-67.62	432.99	2.99	-64.63
C[C@@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521155	1	53	0.0	-66.49	432.98	2.99	-63.50
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521173	0	53	0.0	-65.62	415.80	-1.88	-67.50
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521173	1	53	0.0	-69.20	409.93	-1.79	-70.99
CC1C[NH+](CC(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024521199	1	49	0.0	-65.42	405.94	1.85	-63.57
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024521205	0	55	0.0	-66.41	436.72	2.89	-63.52
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024521205	1	55	0.0	-76.07	435.90	2.84	-73.23
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521216	0	53	0.0	-60.23	422.80	2.44	-57.79
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521216	1	53	0.0	-60.70	422.94	2.92	-57.78
C[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521237	0	53	0.0	-68.26	434.85	3.03	-65.23
CC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024521274	0	48	0.0	-63.98	391.59	1.30	-62.68
C[C@@H]1CN(C(=O)CN2CC3C=CC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521303	0	51	0.0	-62.06	413.65	2.57	-59.49
C[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521303	1	51	0.0	-61.85	413.53	2.62	-59.23
C[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521303	1	51	0.0	-61.85	413.53	2.62	-59.23
COCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024521378	0	52	0.0	-64.77	424.93	0.55	-64.22
COCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024521378	1	52	0.0	-65.75	425.00	0.57	-65.18
COCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024521378	1	52	0.0	-65.75	425.00	0.57	-65.18
CC(CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024521381	0	54	0.0	-67.94	427.23	2.40	-65.54
CC[N@H+](CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024521394	0	52	0.0	-61.92	420.76	2.71	-59.21
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521419	0	50	0.0	-64.85	401.73	1.92	-62.93
C[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521426	0	53	0.0	-62.61	421.09	2.82	-59.79
C[C@@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521426	1	53	0.0	-62.61	421.09	2.82	-59.79
CC(C[NH+](C)C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024521439	0	51	0.0	-66.20	407.71	1.61	-64.59
CCN1CCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024521467	0	49	0.0	-62.09	394.83	1.25	-60.84
CC[N@@H+]1CCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024521467	1	49	0.0	-62.15	396.80	1.25	-60.90
CC[N@H+]1CCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024521467	1	49	0.0	-62.15	396.80	1.25	-60.90
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024521473	0	57	0.0	-62.92	438.49	1.39	-61.53
CCCC(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024521503	0	54	0.0	-62.35	424.57	2.38	-59.97
C[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521507	0	51	0.0	-65.88	391.87	1.67	-64.21
CC(CC[NH+](C)C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024521520	0	54	0.0	-69.63	434.87	2.43	-67.20
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521568	0	55	0.0	-61.98	436.14	2.65	-59.33
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521568	1	55	0.0	-61.98	436.14	2.65	-59.33
C[C@@H]1CN(C(=O)CCCCC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521570	0	57	0.0	-69.50	460.59	3.59	-65.91
C[C@@H]1CN(C(=O)CN2CCN(C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521577	0	54	0.0	-67.86	432.75	0.15	-67.71
C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521577	1	54	0.0	-67.86	432.75	0.15	-67.71
C[C@@H]1CN(C(=O)C2CN(C)CC(C)O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521618	0	53	0.0	-90.30	420.96	1.28	-89.02
C[C@@H]1CN(C(=O)C2C[N@H+](C)CC(C)O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521618	1	53	0.0	-70.14	420.99	1.47	-68.67
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521618	1	53	0.0	-70.14	420.99	1.47	-68.67
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521662	0	52	0.0	-66.07	406.44	1.92	-64.15
C[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521720	0	50	0.0	-70.03	411.81	2.17	-67.86
C[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521720	1	50	0.0	-70.03	411.81	2.17	-67.86
C[C@@H]1CN(C(=O)CNC2=CC=[NH+]C=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521722	0	48	0.0	-64.73	410.41	-0.02	-64.75
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521772	0	55	0.0	-63.57	408.61	1.85	-61.72
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521788	0	49	0.0	-62.89	396.78	1.60	-61.29
C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521866	0	52	0.0	-68.78	423.10	2.37	-66.41
C[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521874	0	55	0.0	-71.15	445.45	3.01	-68.14
C[C@@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521875	0	53	0.0	-60.16	420.97	2.72	-57.44
C[C@@H]1CN(C(=O)CC2CC=CC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521875	1	53	0.0	-60.16	420.97	2.72	-57.44
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521903	0	52	0.0	-68.00	429.60	1.78	-66.22
C[C@@H]1CN(C(=O)CN2C=CSC2=[NH2+])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521927	0	45	0.0	-62.01	401.75	0.90	-61.11
C[C@@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521982	0	52	0.0	-64.19	415.43	2.51	-61.68
C[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521983	0	52	0.0	-65.90	414.07	1.98	-63.92
C[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521983	1	52	0.0	-61.87	407.90	2.15	-59.72
C[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521984	0	55	0.0	-63.68	424.93	2.70	-60.98
C[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521987	0	47	0.0	-63.24	405.99	4.22	-59.02
C[C@@H]1CN(C(=O)C[NH+]2CCC(O)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522006	1	53	0.0	-67.95	426.52	-0.84	-68.79
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522007	1	49	0.0	-62.35	403.03	2.06	-60.29
CCOCC(N=[N+]=[N-])C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024522022	0	49	0.0	-22.50	423.96	-3.16	-25.66
CC(CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024522025	0	54	0.0	-68.79	430.88	2.68	-66.11
C[C@@H]1CN(C(=O)CC2COCCN2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522042	0	53	0.0	-69.96	425.30	0.55	-69.41
C[C@@H]1CN(C(=O)CC2COCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522042	1	53	0.0	-70.48	425.26	0.57	-69.91
C[C@@H]1CN(C(=O)CC2COCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522042	1	53	0.0	-69.96	425.30	0.55	-69.41
C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(O)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522103	1	53	0.0	-64.73	430.91	-0.90	-65.63
C[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522124	0	49	0.0	-67.21	405.01	1.50	-65.71
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522133	0	45	0.0	-66.14	374.67	0.73	-65.41
C[C@@H]1CN(C(=O)CC[N@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522147	0	52	0.0	-67.35	425.11	-1.26	-68.61
C[C@@H]1CN(C(=O)CC[N@@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522147	1	52	0.0	-66.69	424.16	-1.34	-68.03
C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024522148	0	48	0.0	-63.35	390.45	1.02	-62.33
C[C@@H]1CN(C(=O)CC2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522162	0	55	0.0	-60.79	426.46	2.78	-58.01
C[C@@H]1CN(C(=O)CC2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522162	1	55	0.0	-67.36	432.70	2.85	-64.51
CC(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024522172	0	52	0.0	-63.73	422.57	2.28	-61.45
CC1CC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024522174	1	49	0.0	-64.31	405.88	1.79	-62.52
CC1CC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024522174	1	49	0.0	-62.33	400.13	1.52	-60.81
C[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522180	0	49	0.0	-69.82	411.19	1.92	-67.90
C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522185	1	52	0.0	-65.32	425.06	2.30	-63.02
C[C@@H]1CN(C(=O)C[N@@H+]2CCCC2CO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522219	0	53	0.0	-62.84	426.97	-0.75	-63.59
C[C@@H]1CN(C(=O)C[N@H+]2CCCC2CO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522219	1	53	0.0	-61.24	420.66	-0.74	-61.98
CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024522221	0	51	0.0	-63.49	405.32	1.72	-61.77
C[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522230	1	46	0.0	-65.76	384.80	1.15	-64.61
CC[NH+](CC)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024522258	0	54	0.0	-66.33	427.33	2.33	-64.00
CC(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024522308	1	49	0.0	-62.98	402.92	1.58	-61.40
CCC(CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024522313	0	57	0.0	-65.02	449.91	3.36	-61.66
C[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522318	0	54	0.0	-62.66	411.51	1.83	-60.83
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522347	0	52	0.0	-63.56	413.44	2.14	-61.42
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522347	1	52	0.0	-65.04	407.03	1.94	-63.10
C[C@@H]1CN(C(=O)CC(O)C[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522366	0	52	0.0	-71.08	426.34	-0.26	-71.34
C=CCC(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024522386	0	52	0.0	-64.19	416.02	2.17	-62.02
C[C@@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522397	0	55	0.0	-67.65	421.58	2.23	-65.42
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CSC(N)=[NH2+]	REAL300024522418	0	43	0.0	-73.18	383.19	-2.35	-75.53
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(CC[NH+](C)C)CC1	REAL300024522441	0	55	0.0	-71.96	448.32	3.31	-68.65
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC=CC[N@@H+]1C	REAL300024522442	0	53	0.0	-65.55	419.94	2.69	-62.86
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC=CC[N@H+]1C	REAL300024522442	1	53	0.0	-76.21	424.92	2.75	-73.46
CCC1CN(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024522523	0	52	0.0	-72.59	427.39	2.61	-69.98
CCC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024522523	1	52	0.0	-72.59	427.39	2.61	-69.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024522528	0	49	0.0	-68.18	401.22	1.75	-66.43
CC1C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300024522550	0	52	0.0	-73.05	416.77	2.27	-70.78
CC1C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300024522550	1	52	0.0	-73.05	416.77	2.27	-70.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1COCCN1C	REAL300024522578	0	53	0.0	-78.13	425.35	0.57	-77.56
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1COCC[N@@H+]1C	REAL300024522578	1	53	0.0	-79.59	424.51	0.50	-79.09
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1COCC[N@H+]1C	REAL300024522578	1	53	0.0	-79.59	424.51	0.50	-79.09
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@@H+]1C	REAL300024522823	0	50	0.0	-70.51	406.29	-0.32	-70.83
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1C=CN=C1C	REAL300024522974	0	48	0.0	-71.05	416.65	0.75	-70.30
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1C=C[NH+]=C1C	REAL300024522974	1	48	0.0	-71.05	416.65	0.75	-70.30
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024522992	0	53	0.0	-73.62	428.42	0.64	-72.98
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024522992	1	53	0.0	-73.62	428.42	0.64	-72.98
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300024523009	0	53	0.0	-74.97	418.08	0.65	-74.32
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300024523019	0	53	0.0	-70.23	432.45	1.11	-69.12
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300024523019	1	53	0.0	-70.23	432.45	1.11	-69.12
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	REAL300024523040	0	53	0.0	-80.16	431.70	0.81	-79.35
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300024523046	0	53	0.0	-72.27	419.75	0.58	-71.69
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1C=NC=C1C	REAL300024523063	0	48	0.0	-74.20	417.00	1.48	-72.72
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1C=[NH+]C=C1C	REAL300024523063	1	48	0.0	-74.20	417.00	1.48	-72.72
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300024523072	0	53	0.0	-74.21	433.18	0.68	-73.53
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300024523072	1	53	0.0	-74.21	433.18	0.68	-73.53
CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC)[NH+](C)C	REAL300024523075	0	52	0.0	-71.57	420.01	0.30	-71.27
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300024523091	0	52	0.0	-72.72	425.58	0.54	-72.18
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300024523091	1	52	0.0	-72.72	425.58	0.54	-72.18
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024523105	0	50	0.0	-73.51	407.18	-0.32	-73.83
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300024523117	0	52	0.0	-70.74	417.94	0.22	-70.52
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300024523169	0	53	0.0	-77.73	433.62	0.77	-76.96
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	REAL300024523190	0	53	0.0	-80.16	431.70	0.81	-79.35
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300024523227	0	52	0.0	-74.19	426.47	0.34	-73.85
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300024523227	1	52	0.0	-74.13	426.47	0.34	-73.79
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CCCC1C	REAL300024523235	0	53	0.0	-68.84	425.00	0.51	-68.33
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CCCC1C	REAL300024523235	1	53	0.0	-72.32	432.42	0.95	-71.37
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)C1	REAL300024523236	0	53	0.0	-71.67	431.69	0.81	-70.86
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CCC(C)C1	REAL300024523236	1	53	0.0	-74.32	433.19	0.90	-73.42
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC)[NH+](C)C	REAL300024523238	0	52	0.0	-71.40	417.40	0.18	-71.22
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+](C)C	REAL300024523269	0	46	0.0	-72.87	386.35	-0.86	-73.73
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300024523270	0	48	0.0	-69.77	417.59	2.64	-67.13
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300024523273	0	53	0.0	-68.21	425.41	0.98	-67.23
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300024523273	1	53	0.0	-75.43	431.82	0.75	-74.68
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C(C)[NH+]1CCC1	REAL300024523280	1	50	0.0	-72.35	415.25	0.19	-72.16
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)C1CC1	REAL300024523288	0	50	0.0	-70.14	415.77	0.55	-69.59
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300024523288	1	50	0.0	-69.34	415.63	0.55	-68.79
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1C[NH+](C)C1	REAL300024523298	0	50	0.0	-73.64	417.92	-0.05	-73.69
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H](C)[NH+](C)C	REAL300024523309	0	49	0.0	-73.45	404.99	-0.42	-73.87
CO[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1NC(=O)CN=[N+]=[N-]	REAL300024523316	0	40	0.0	-25.41	363.32	-5.28	-30.69
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H](C)[NH+](C)C	REAL300024523347	0	49	0.0	-73.45	404.99	-0.42	-73.87
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024523350	0	53	0.0	-70.88	429.04	0.75	-70.13
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024523350	1	53	0.0	-69.83	419.03	0.55	-69.28
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300024523382	0	51	0.0	-75.57	425.22	0.68	-74.89
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300024523382	1	51	0.0	-78.12	426.03	0.67	-77.45
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@@H](C)[NH+](C)C	REAL300024523399	0	49	0.0	-70.23	404.48	-0.44	-70.67
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CC(C)C1	REAL300024523413	1	50	0.0	-75.01	418.44	0.26	-74.75
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)CCO	REAL300024523426	1	50	0.0	-73.56	414.43	-3.44	-77.00
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)CCO	REAL300024523426	1	50	0.0	-72.76	414.22	-3.45	-76.21
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300024523438	0	49	0.0	-72.30	404.08	-0.20	-72.50
CC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300024523438	1	49	0.0	-72.38	404.11	-0.20	-72.58
CC[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC)C1CC1	REAL300024523448	0	53	0.0	-68.73	434.94	1.17	-67.56
CC[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC)C1CC1	REAL300024523448	1	53	0.0	-70.95	427.69	1.05	-69.90
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=CC[NH+](C)C	REAL300024523467	0	50	0.0	-79.49	423.24	0.34	-79.15
CC[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300024523484	1	50	0.0	-73.02	410.93	-0.19	-73.21
CC[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300024523484	1	50	0.0	-74.21	418.77	0.18	-74.03
C=CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC)[NH+](C)C	REAL300024523503	0	53	0.0	-73.56	433.87	0.80	-72.76
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300024523510	0	51	0.0	-72.50	421.77	1.00	-71.50
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300024523515	0	52	0.0	-74.63	413.83	0.28	-74.35
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300024523525	0	53	0.0	-68.25	428.29	0.74	-67.51
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@H+]1C	REAL300024523525	1	53	0.0	-72.27	419.75	0.58	-71.69
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1([NH+](C)C)CC1	REAL300024523557	0	50	0.0	-77.78	415.96	0.38	-77.40
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[NH+]1CCCC1	REAL300024523558	0	53	0.0	-73.68	433.68	0.79	-72.89
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024523568	1	51	0.0	-75.24	416.48	0.49	-74.75
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CC(C1)C[N@H+]2C	REAL300024523568	1	51	0.0	-78.53	417.98	0.36	-78.17
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C(C)C[NH+](C)C	REAL300024523602	0	52	0.0	-73.79	424.72	0.39	-73.40
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C(C)[NH+]1CC(C)C1	REAL300024523621	1	53	0.0	-69.37	434.97	0.76	-68.61
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CCC1C	REAL300024523622	1	50	0.0	-73.74	418.44	0.28	-73.46
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CCC1C	REAL300024523622	1	50	0.0	-72.50	413.56	0.03	-72.47
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024523650	0	53	0.0	-72.23	435.82	0.87	-71.36
CO[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024523810	0	50	0.0	-72.18	408.57	-0.05	-72.23
CO[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024523810	1	50	0.0	-71.68	408.44	-0.14	-71.82
CO[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024523977	0	53	0.0	-78.49	433.91	0.70	-77.79
CO[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024523977	1	53	0.0	-78.32	433.10	0.67	-77.65
CCC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1)[NH+](C)C	REAL300024523980	0	52	0.0	-72.88	415.55	0.11	-72.77
CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1	REAL300024523992	0	52	0.0	-75.96	425.56	0.49	-75.47
CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1	REAL300024523992	1	52	0.0	-75.00	426.48	0.50	-74.50
CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524028	0	53	0.0	-71.05	434.96	0.62	-70.43
CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1	REAL300024524033	0	52	0.0	-78.33	426.45	0.33	-78.00
CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1	REAL300024524033	1	52	0.0	-77.53	427.35	0.33	-77.20
CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524055	0	53	0.0	-72.45	430.56	0.61	-71.84
CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524087	0	53	0.0	-77.77	414.39	-0.06	-77.83
CO[C@@H]1CN(C(=O)C[N@@H+]2CCCC2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524109	0	53	0.0	-71.98	425.05	0.46	-71.52
CO[C@@H]1CN(C(=O)C[N@H+]2CCCC2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524109	1	53	0.0	-72.23	425.01	0.45	-71.78
CO[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524126	0	53	0.0	-74.88	431.70	0.77	-74.11
CO[C@@H]1CN(C(=O)C[N@H+]2CCC(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524126	1	53	0.0	-74.97	431.72	0.77	-74.20
CC[C@@H](C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1)[NH+](C)C	REAL300024524128	0	52	0.0	-72.58	414.05	-0.06	-72.64
CO[C@@H]1CN(C(=O)CN2C=C[NH+]=C2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524163	1	48	0.0	-71.16	416.75	0.68	-70.48
CO[C@@H]1CN(C(=O)CN2C=[NH+]C=C2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524181	1	48	0.0	-75.15	416.93	1.43	-73.72
CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524182	0	53	0.0	-81.80	422.38	0.04	-81.76
CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524182	1	53	0.0	-80.66	428.53	0.29	-80.37
CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524209	0	53	0.0	-73.17	433.44	1.05	-72.12
CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524209	1	53	0.0	-73.39	432.58	1.06	-72.33
CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524214	0	53	0.0	-72.45	430.56	0.61	-71.84
CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524226	0	50	0.0	-71.74	407.59	-0.14	-71.88
CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524226	1	50	0.0	-73.15	405.00	-0.43	-73.58
CO[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524266	0	53	0.0	-74.05	415.06	0.18	-73.87
CO[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524266	1	53	0.0	-72.52	426.60	0.58	-71.94
CO[C@@H]1CN(C(=O)C2CC[N@H+](C)C2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524294	0	53	0.0	-76.38	426.96	0.62	-75.76
CO[C@@H]1CN(C(=O)C2CC[N@@H+](C)C2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524294	1	53	0.0	-76.22	428.28	0.41	-75.81
CO[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524331	0	49	0.0	-73.90	403.86	-0.56	-74.46
CO[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524348	0	53	0.0	-77.21	434.48	0.78	-76.43
CO[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524353	1	50	0.0	-76.21	415.33	-3.49	-79.70
CO[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524353	1	50	0.0	-76.16	414.20	-3.48	-79.64
CO[C@@H]1CN(C(=O)C[NH+]2CC(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524391	1	50	0.0	-76.04	417.42	0.16	-75.88
CC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1	REAL300024524420	0	49	0.0	-75.64	404.07	-0.25	-75.89
CC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1	REAL300024524420	1	49	0.0	-74.80	404.84	-0.22	-75.02
CC[N@H+](CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1)C1CC1	REAL300024524473	0	53	0.0	-73.09	432.71	1.05	-72.04
CC[N@@H+](CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1)C1CC1	REAL300024524473	1	53	0.0	-74.41	427.69	0.97	-73.44
CO[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524485	0	51	0.0	-77.68	414.34	0.08	-77.60
CO[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524485	1	51	0.0	-76.53	413.62	0.20	-76.33
CO[C@@H]1CN(C(=O)C(C)C[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524494	0	52	0.0	-69.12	424.17	0.16	-68.96
CO[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524500	0	50	0.0	-75.18	410.77	-0.43	-75.61
CO[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524509	0	49	0.0	-72.09	403.00	-0.59	-72.68
CC[N@@H+]1CCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1	REAL300024524512	1	50	0.0	-74.92	418.70	0.06	-74.86
CC[N@H+]1CCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1	REAL300024524512	1	50	0.0	-74.69	418.90	0.07	-74.62
CO[C@@H]1CN(C(=O)C2=C[NH+]=CC=C2N)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524522	0	46	0.0	-78.10	395.43	-2.96	-81.06
CO[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524528	0	52	0.0	-78.56	404.43	-0.10	-78.66
CO[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524589	0	51	0.0	-76.14	421.96	0.95	-75.19
CO[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524595	0	53	0.0	-74.05	415.06	0.18	-73.87
CO[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524595	1	53	0.0	-72.52	426.60	0.58	-71.94
CO[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524616	0	51	0.0	-79.79	424.34	0.61	-79.18
CO[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524616	1	51	0.0	-80.07	425.36	0.62	-79.45
CO[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300024524623	0	40	0.0	-25.88	363.33	-5.32	-31.20
CCC1C[NH+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H](OC)C2)C1	REAL300024524637	1	53	0.0	-76.16	439.63	0.90	-75.26
CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524642	0	50	0.0	-75.28	405.93	-0.44	-75.72
CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524642	1	50	0.0	-72.79	410.19	-0.04	-72.83
CO[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524675	0	53	0.0	-76.40	435.59	0.82	-75.58
CO[C@@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524713	0	53	0.0	-74.58	428.91	0.96	-73.62
CO[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524714	0	53	0.0	-63.46	420.88	0.72	-62.74
CO[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524714	1	53	0.0	-68.83	420.39	0.60	-68.23
CO[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524715	0	48	0.0	-72.18	418.40	2.60	-69.58
CO[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524725	0	50	0.0	-72.59	416.60	0.51	-72.08
CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524725	1	50	0.0	-71.69	416.44	0.50	-71.19
CO[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524774	0	50	0.0	-77.74	418.61	-0.06	-77.80
CO[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524780	0	46	0.0	-76.34	386.35	-0.93	-77.27
CO[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524788	0	49	0.0	-73.90	403.86	-0.56	-74.46
CO[C@@H]1CN(C(=O)C(C)[NH+]2CC(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524802	1	53	0.0	-74.13	429.84	0.50	-73.63
CO[C@@H]1CN(C(=O)C[N@@H+]2CCC2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524803	1	50	0.0	-73.09	412.85	-0.09	-73.18
CO[C@@H]1CN(C(=O)C[N@H+]2CCC2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524803	1	50	0.0	-74.57	417.67	0.15	-74.42
CO[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524805	0	50	0.0	-81.31	422.32	0.30	-81.01
CO[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524809	1	53	0.0	-75.23	437.50	0.68	-74.55
CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1	REAL300024524821	0	52	0.0	-73.03	423.20	0.46	-72.57
CO[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524826	1	47	0.0	-75.31	397.27	-0.49	-75.80
CO[C@@H]1CN(C(=O)C(C)[NH+]2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524865	1	50	0.0	-73.08	415.08	-0.06	-73.14
CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524886	0	53	0.0	-70.47	426.12	0.56	-69.91
CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524886	1	53	0.0	-72.70	419.56	0.33	-72.37
C=CCC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H](OC)C1)[NH+](C)C	REAL300024524905	0	53	0.0	-71.58	428.35	0.44	-71.14
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CSC(N)=[NH2+]	REAL300024524926	0	44	0.0	-74.73	394.28	-3.93	-78.66
CCC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2OC)C1	REAL300024524975	1	53	0.0	-75.82	439.78	1.01	-74.81
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024524979	0	50	0.0	-72.01	406.36	-0.33	-72.34
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024524979	1	50	0.0	-71.65	412.19	0.21	-71.44
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CCCCC1	REAL300024524985	0	53	0.0	-74.75	428.84	1.03	-73.72
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[N@H+](C)C1C	REAL300024524989	0	53	0.0	-71.80	427.54	0.37	-71.43
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[N@@H+](C)C1C	REAL300024524989	1	53	0.0	-73.58	428.39	0.63	-72.95
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525188	0	49	0.0	-63.11	396.29	1.55	-61.56
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525188	1	49	0.0	-62.22	397.12	1.43	-60.79
C[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525212	1	50	0.0	-65.47	399.66	0.79	-64.68
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525212	1	50	0.0	-69.56	400.12	0.81	-68.75
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525356	0	55	0.0	-62.29	423.67	2.91	-59.38
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525356	1	55	0.0	-60.82	428.35	2.60	-58.22
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525379	1	47	0.0	-63.18	404.09	2.32	-60.86
C[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525399	0	53	0.0	-65.68	410.67	2.18	-63.50
C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525427	0	52	0.0	-66.24	409.96	1.59	-64.65
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525427	1	52	0.0	-65.78	415.04	2.26	-63.52
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024525429	0	55	0.0	-66.68	427.33	2.25	-64.43
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024525429	1	55	0.0	-65.83	436.27	2.80	-63.03
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024525434	1	53	0.0	-64.43	417.44	1.43	-63.00
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024525434	1	53	0.0	-75.71	417.66	1.43	-74.28
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525479	0	55	0.0	-59.95	430.49	2.51	-57.44
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525481	0	55	0.0	-67.13	443.47	3.22	-63.91
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525484	0	55	0.0	-66.43	437.73	3.10	-63.33
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525487	0	55	0.0	-63.13	424.90	2.62	-60.51
CC[N@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525487	1	55	0.0	-61.21	432.63	2.90	-58.31
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525497	0	52	0.0	-61.60	402.04	1.51	-60.09
CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024525503	0	54	0.0	-61.93	418.66	2.22	-59.71
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525521	0	52	0.0	-62.94	420.93	2.70	-60.24
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525521	1	52	0.0	-62.86	421.02	2.70	-60.16
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525575	1	51	0.0	-61.59	419.93	2.41	-59.18
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525575	1	51	0.0	-62.21	423.51	2.78	-59.43
C[C@@H]1CN(C(=O)CCC2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525580	0	55	0.0	-66.98	438.28	3.09	-63.89
C[C@@H]1CN(C(=O)CCC2CCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525580	1	55	0.0	-66.77	436.56	2.77	-64.00
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525596	0	52	0.0	-69.05	418.90	2.26	-66.79
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525623	0	52	0.0	-62.91	414.24	2.20	-60.71
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525623	1	52	0.0	-66.07	406.44	1.92	-64.15
C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525676	1	53	0.0	-68.63	429.16	0.69	-67.94
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525688	1	47	0.0	-65.53	403.38	3.02	-62.51
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525704	0	53	0.0	-60.82	410.86	2.07	-58.75
C[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525709	0	52	0.0	-68.44	421.07	2.34	-66.10
C[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525709	1	52	0.0	-68.57	421.41	2.30	-66.27
CCC(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024525715	0	51	0.0	-62.49	401.46	1.52	-60.97
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525762	0	54	0.0	-69.27	439.09	2.81	-66.46
CC(C)C(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024525773	0	54	0.0	-62.09	415.08	2.08	-60.01
CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525774	0	54	0.0	-67.65	436.26	2.71	-64.94
CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525774	1	54	0.0	-67.71	435.32	2.62	-65.09
CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525777	0	51	0.0	-64.38	413.09	2.05	-62.33
CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525777	1	51	0.0	-65.46	413.90	2.15	-63.31
C[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525790	0	53	0.0	-67.50	407.52	1.61	-65.89
C[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525790	1	53	0.0	-77.72	407.14	1.56	-76.16
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525812	0	49	0.0	-62.67	394.99	1.51	-61.16
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525812	1	49	0.0	-64.57	392.41	1.15	-63.42
CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024525839	0	51	0.0	-63.49	405.32	1.72	-61.77
C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525892	0	55	0.0	-65.05	437.23	3.21	-61.84
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525910	0	52	0.0	-67.37	421.64	2.16	-65.21
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525956	0	52	0.0	-69.05	418.90	2.26	-66.79
CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024525971	0	54	0.0	-64.31	417.54	2.23	-62.08
CCC(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024525998	0	57	0.0	-59.97	434.78	2.83	-57.14
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526028	0	51	0.0	-67.09	414.76	1.97	-65.12
CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526028	1	51	0.0	-67.19	414.76	1.97	-65.22
CC1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526051	0	52	0.0	-62.37	419.58	2.40	-59.97
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526051	1	52	0.0	-61.10	412.53	2.00	-59.10
CC1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024526052	0	52	0.0	-64.18	419.85	2.37	-61.81
CC1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024526052	1	52	0.0	-64.02	420.81	2.47	-61.55
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526054	0	55	0.0	-64.18	439.74	2.98	-61.20
C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526054	1	55	0.0	-63.11	438.83	2.90	-60.21
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526055	0	57	0.0	-64.01	444.59	3.26	-60.75
C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526055	1	57	0.0	-63.99	444.44	3.22	-60.77
CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024526062	0	51	0.0	-61.82	400.65	1.49	-60.33
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526134	0	45	0.0	-66.14	374.67	0.73	-65.41
C[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526137	0	55	0.0	-63.68	424.93	2.70	-60.98
C[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526140	0	47	0.0	-63.24	405.99	4.22	-59.02
C[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526144	0	52	0.0	-65.90	414.07	1.98	-63.92
C[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526144	1	52	0.0	-61.87	407.90	2.15	-59.72
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526149	0	53	0.0	-60.23	422.80	2.44	-57.79
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526149	1	53	0.0	-60.70	422.94	2.92	-57.78
CC(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024526161	1	49	0.0	-62.98	402.92	1.58	-61.40
CCC(CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024526165	0	57	0.0	-65.02	449.91	3.36	-61.66
C[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526170	0	54	0.0	-62.66	411.51	1.83	-60.83
C[C@@H]1CN(C(=O)C[NH+]2CCC(O)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526181	1	53	0.0	-67.95	426.52	-0.84	-68.79
C[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526182	0	49	0.0	-62.85	404.10	2.14	-60.71
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526182	1	49	0.0	-62.35	403.03	2.06	-60.29
C[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526196	0	49	0.0	-67.21	405.01	1.50	-65.71
C[C@@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526206	0	55	0.0	-60.56	435.15	2.31	-58.25
C[C@@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526206	1	55	0.0	-60.91	413.50	1.70	-59.21
C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024526216	0	48	0.0	-63.35	390.45	1.02	-62.33
C[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300024526223	0	39	0.0	-23.53	350.85	-3.76	-27.29
C[C@@H]1CN(C(=O)CN2C=CSC2=[NH2+])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526265	0	45	0.0	-62.01	401.75	0.90	-61.11
C[C@@H]1CN(C(=O)CC[N@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526270	0	52	0.0	-67.35	425.11	-1.26	-68.61
C[C@@H]1CN(C(=O)CC[N@@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526270	1	52	0.0	-66.69	424.16	-1.34	-68.03
C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024526271	0	48	0.0	-63.35	390.45	1.02	-62.33
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526274	0	52	0.0	-63.56	413.44	2.14	-61.42
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526274	1	52	0.0	-65.04	407.03	1.94	-63.10
C[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526319	1	46	0.0	-65.76	384.80	1.15	-64.61
C[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526333	0	50	0.0	-70.66	412.76	2.26	-68.40
C[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526333	1	50	0.0	-70.03	411.81	2.17	-67.86
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526353	0	52	0.0	-68.00	429.60	1.78	-66.22
C=CCC(C)(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024526364	0	55	0.0	-66.30	416.80	2.59	-63.71
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526381	0	53	0.0	-69.20	409.93	-1.79	-70.99
CC1CN(CC(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024526398	0	49	0.0	-65.42	405.94	1.85	-63.57
CC1C[NH+](CC(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024526398	1	49	0.0	-65.42	405.94	1.85	-63.57
C[C@@H]1CN(C(=O)CN(C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526415	0	49	0.0	-65.79	402.74	-1.84	-67.63
C[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526415	1	49	0.0	-64.52	401.69	-1.91	-66.43
C[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526415	1	49	0.0	-64.52	401.69	-1.91	-66.43
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024526434	0	55	0.0	-76.07	435.90	2.84	-73.23
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024526434	1	55	0.0	-76.07	435.90	2.84	-73.23
CC(CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024526436	0	54	0.0	-68.79	430.88	2.68	-66.11
CC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526439	0	48	0.0	-63.98	391.59	1.30	-62.68
CC[N@H+](CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024526463	0	52	0.0	-61.92	420.76	2.71	-59.21
CC[NH+](CC)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526471	0	54	0.0	-66.33	427.33	2.33	-64.00
C[C@@H]1CN(C(=O)CN2CC(C)(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526485	0	52	0.0	-65.32	425.06	2.30	-63.02
C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526485	1	52	0.0	-65.32	425.06	2.30	-63.02
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526501	0	53	0.0	-64.73	430.91	-0.90	-65.63
C[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526504	0	49	0.0	-69.82	411.19	1.92	-67.90
COCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526517	0	52	0.0	-64.77	424.93	0.55	-64.22
COCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526517	1	52	0.0	-65.75	425.00	0.57	-65.18
COCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526517	1	52	0.0	-65.75	425.00	0.57	-65.18
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526534	0	55	0.0	-63.57	408.61	1.85	-61.72
CC(CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024526536	0	54	0.0	-67.94	427.23	2.40	-65.54
CCN1CCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526542	0	49	0.0	-62.09	394.83	1.25	-60.84
CC[N@@H+]1CCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526542	1	49	0.0	-62.15	396.80	1.25	-60.90
CC[N@H+]1CCC1C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526542	1	49	0.0	-62.15	396.80	1.25	-60.90
C[C@@H]1CN(C(=O)C[N@@H+]2CCCC2CO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526552	0	53	0.0	-61.24	420.66	-0.74	-61.98
C[C@@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526568	0	55	0.0	-67.65	421.58	2.23	-65.42
C=CCC(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024526584	0	52	0.0	-64.19	416.02	2.17	-62.02
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526591	0	55	0.0	-61.98	436.14	2.65	-59.33
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526591	1	55	0.0	-61.98	436.14	2.65	-59.33
C[C@@H]1CN(C(=O)CCCCC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526593	0	57	0.0	-69.50	460.59	3.59	-65.91
CCCC(C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024526610	0	54	0.0	-62.35	424.57	2.38	-59.97
C[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526613	0	51	0.0	-65.88	391.87	1.67	-64.21
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526636	0	52	0.0	-66.07	406.44	1.92	-64.15
C[C@@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526655	0	53	0.0	-66.49	432.98	2.99	-63.50
C[C@@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526655	1	53	0.0	-66.49	432.98	2.99	-63.50
C[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526685	0	53	0.0	-68.26	434.85	3.03	-65.23
C[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526712	0	52	0.0	-65.53	421.61	2.34	-63.19
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526737	0	50	0.0	-64.85	401.73	1.92	-62.93
C[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526742	0	53	0.0	-62.61	421.09	2.82	-59.79
C[C@@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526742	1	53	0.0	-62.61	421.09	2.82	-59.79
C[C@@H]1CN(C(=O)CN2CC3C=CC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526777	0	51	0.0	-62.06	413.65	2.57	-59.49
C[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526777	1	51	0.0	-61.85	413.53	2.62	-59.23
C[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526777	1	51	0.0	-61.85	413.53	2.62	-59.23
CC(C[NH+](C)C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526807	0	51	0.0	-66.20	407.71	1.61	-64.59
C[C@@H]1CN(C(=O)CC2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526846	0	55	0.0	-67.36	432.70	2.85	-64.51
C[C@@H]1CN(C(=O)CC2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526846	1	55	0.0	-67.36	432.70	2.85	-64.51
CC1CCN1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526857	0	49	0.0	-64.31	405.88	1.79	-62.52
CC1CC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526857	1	49	0.0	-62.33	400.13	1.52	-60.81
CC1CC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526857	1	49	0.0	-62.33	400.13	1.52	-60.81
C[C@@H]1CN(C(=O)CC(O)C[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526859	0	52	0.0	-71.08	426.34	-0.26	-71.34
C[C@@H]1CN(C(=O)C2CN(C)CC(C)O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526876	0	53	0.0	-90.30	420.96	1.28	-89.02
C[C@@H]1CN(C(=O)C2C[N@H+](C)CC(C)O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526876	1	53	0.0	-70.14	420.99	1.47	-68.67
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526876	1	53	0.0	-70.14	420.99	1.47	-68.67
C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526914	0	52	0.0	-68.78	423.10	2.37	-66.41
CC(CC[NH+](C)C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024526918	0	54	0.0	-69.63	434.87	2.43	-67.20
C[C@@H]1CN(C(=O)CN2CCN(C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526933	0	54	0.0	-67.86	432.75	0.15	-67.71
C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526933	1	54	0.0	-67.86	432.75	0.15	-67.71
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@@H+]1C	REAL300024527103	0	49	0.0	-68.12	400.30	1.73	-66.39
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CN(C)CCO1	REAL300024527129	0	50	0.0	-80.42	412.08	1.22	-79.20
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[N@H+](C)CCO1	REAL300024527129	1	50	0.0	-86.52	411.22	1.15	-85.37
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[N@@H+](C)CCO1	REAL300024527129	1	50	0.0	-86.52	411.22	1.15	-85.37
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[NH+]1CCOCC1	REAL300024527277	1	53	0.0	-75.87	430.08	0.77	-75.10
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2	REAL300024527285	0	53	0.0	-76.05	419.38	2.73	-73.32
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300024527308	0	52	0.0	-74.61	420.20	2.30	-72.31
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300024527308	1	52	0.0	-73.86	420.79	2.31	-71.55
CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024527314	0	51	0.0	-69.32	404.94	1.79	-67.53
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCCC[NH+](C)C	REAL300024527346	0	54	0.0	-72.99	440.04	2.90	-70.09
CC(C)C(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024527359	0	54	0.0	-71.22	424.13	2.86	-68.36
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527360	0	54	0.0	-73.43	436.35	2.72	-70.71
CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527360	1	54	0.0	-73.39	436.29	2.70	-70.69
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527363	0	51	0.0	-71.77	413.88	2.19	-69.58
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527363	1	51	0.0	-71.94	413.89	2.19	-69.75
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300024527376	0	53	0.0	-73.14	415.83	1.93	-71.21
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300024527376	1	53	0.0	-74.00	415.46	1.97	-72.03
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1	REAL300024527401	0	55	0.0	-72.46	437.66	3.24	-69.22
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300024527438	0	52	0.0	-68.00	425.62	2.43	-65.57
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527455	0	51	0.0	-72.71	414.80	1.95	-70.76
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527455	1	51	0.0	-72.64	414.80	1.95	-70.69
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[NH+]2CCC1CC2	REAL300024527467	0	53	0.0	-81.45	414.88	2.47	-78.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	REAL300024527505	0	52	0.0	-73.97	419.25	2.43	-71.54
CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024527520	0	54	0.0	-69.40	420.61	2.54	-66.86
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300024527583	0	52	0.0	-73.74	408.03	1.90	-71.84
CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](CC)CC	REAL300024527610	0	57	0.0	-65.20	438.17	3.24	-61.96
CC1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527619	0	52	0.0	-71.22	419.11	2.50	-68.72
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527619	1	52	0.0	-68.54	413.41	2.14	-66.40
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527646	0	55	0.0	-70.70	421.92	2.70	-68.00
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527646	1	55	0.0	-70.52	426.89	2.96	-67.56
CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024527653	0	54	0.0	-71.26	421.20	2.90	-68.36
CC1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024527663	0	52	0.0	-71.32	420.05	2.50	-68.82
CC1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024527663	1	52	0.0	-71.07	420.77	2.51	-68.56
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024527665	0	55	0.0	-71.45	440.37	3.02	-68.43
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300024527665	1	55	0.0	-73.34	439.13	2.93	-70.41
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300024527666	0	57	0.0	-71.93	444.79	3.35	-68.58
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300024527666	1	57	0.0	-71.34	444.28	3.27	-68.07
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024527673	0	51	0.0	-70.46	404.11	1.70	-68.76
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527753	1	47	0.0	-68.87	403.33	2.30	-66.57
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024527796	1	53	0.0	-82.64	428.94	1.79	-80.85
CC[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024527796	1	53	0.0	-84.81	429.12	1.79	-83.02
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527816	1	47	0.0	-72.82	403.46	3.04	-69.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024527821	0	52	0.0	-73.74	412.43	1.97	-71.77
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024527821	1	52	0.0	-76.92	416.80	1.99	-74.93
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300024527823	0	55	0.0	-75.23	430.78	2.37	-72.86
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300024527823	1	55	0.0	-74.75	436.22	2.70	-72.05
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527828	0	55	0.0	-70.04	422.45	2.38	-67.66
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCC[NH+]1CCCC1	REAL300024527830	0	55	0.0	-71.37	444.50	3.30	-68.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[NH+]1CCCCC1	REAL300024527834	0	55	0.0	-72.06	438.69	3.20	-68.86
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527837	0	55	0.0	-69.17	424.06	2.78	-66.39
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527837	1	55	0.0	-68.36	433.56	2.94	-65.42
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300024527917	0	52	0.0	-71.81	420.02	2.67	-69.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300024527917	1	52	0.0	-71.08	419.95	2.68	-68.40
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	REAL300024527941	0	52	0.0	-73.97	419.25	2.43	-71.54
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024527963	0	49	0.0	-69.65	398.87	1.76	-67.89
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C	REAL300024527963	1	49	0.0	-69.10	394.64	1.29	-67.81
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527980	1	51	0.0	-70.67	421.31	2.50	-68.17
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024527980	1	51	0.0	-71.56	426.31	2.98	-68.58
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCC1CCC[N@@H+]1C	REAL300024527985	0	55	0.0	-70.78	436.62	2.80	-67.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCC1CCC[N@H+]1C	REAL300024527985	1	55	0.0	-77.11	437.33	3.04	-74.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300024528048	0	52	0.0	-70.04	407.47	2.18	-67.86
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@H+]1C	REAL300024528048	1	52	0.0	-69.72	416.61	2.38	-67.34
CC1C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300024528097	0	52	0.0	-71.33	415.86	2.01	-69.32
CC1C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300024528097	1	52	0.0	-73.05	416.77	2.27	-70.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024528147	0	55	0.0	-68.26	420.09	1.90	-66.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300024528147	1	55	0.0	-67.79	436.16	2.46	-65.33
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024528160	0	48	0.0	-72.45	391.90	1.11	-71.34
C=CCC(C)(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024528172	0	55	0.0	-67.64	429.84	2.82	-64.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[NH+]1CCCC1	REAL300024528184	0	52	0.0	-72.00	422.98	2.50	-69.50
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)CCO	REAL300024528192	1	49	0.0	-74.60	401.78	-1.87	-76.47
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)CCO	REAL300024528192	1	49	0.0	-71.65	402.52	-1.80	-73.45
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1=CC[N@H+](C)CC1	REAL300024528238	0	53	0.0	-70.39	432.94	3.03	-67.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1=CC[N@@H+](C)CC1	REAL300024528238	1	53	0.0	-68.45	432.95	3.02	-65.43
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024528256	0	53	0.0	-81.51	421.04	-1.09	-82.60
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300024528256	1	53	0.0	-75.62	423.17	-1.13	-76.75
CC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024528282	1	49	0.0	-74.30	404.00	1.85	-72.45
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024528288	0	55	0.0	-71.50	436.00	2.98	-68.52
CC[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024528288	1	55	0.0	-65.64	430.66	3.25	-62.39
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300024528299	0	53	0.0	-71.61	427.21	2.76	-68.85
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@H+]1C1CC1	REAL300024528299	1	53	0.0	-68.27	421.28	2.43	-65.84
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=CC[NH+]1CCCC1	REAL300024528320	0	53	0.0	-74.10	437.01	3.17	-70.93
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024528357	0	48	0.0	-71.59	392.39	1.45	-70.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1CC2C=CC1C2	REAL300024528386	0	51	0.0	-72.15	413.07	2.68	-69.47
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024528386	1	51	0.0	-70.25	412.65	2.57	-67.68
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CC2C=CC1C2	REAL300024528386	1	51	0.0	-70.25	412.65	2.57	-67.68
COCCN(C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024528461	0	52	0.0	-71.29	424.77	0.61	-70.68
COCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024528461	1	52	0.0	-73.21	424.99	0.61	-72.60
COCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024528461	1	52	0.0	-73.21	424.99	0.61	-72.60
CC(CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024528464	0	54	0.0	-71.05	432.05	2.48	-68.57
CC[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C1CC1	REAL300024528477	0	52	0.0	-70.57	416.05	2.69	-67.88
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024528502	0	50	0.0	-77.26	405.13	1.97	-75.29
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300024528509	0	53	0.0	-72.07	420.20	2.81	-69.26
CC(C[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024528522	0	51	0.0	-72.48	413.09	2.04	-70.44
CCN1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024528550	0	49	0.0	-70.84	406.33	1.73	-69.11
CC[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024528550	1	49	0.0	-72.57	405.42	1.73	-70.84
CC[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024528550	1	49	0.0	-72.57	405.42	1.73	-70.84
CCC(C)(C)[NH2+]C(C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024528556	0	57	0.0	-67.94	439.30	1.42	-66.52
CCCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024528586	0	54	0.0	-73.71	427.84	2.61	-71.10
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300024528590	0	51	0.0	-78.99	401.77	1.89	-77.10
CC(CC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024528603	0	54	0.0	-71.48	434.73	2.66	-68.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024528651	0	55	0.0	-69.11	440.55	2.88	-66.23
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCCCC[NH+](C)C	REAL300024528653	0	57	0.0	-72.22	461.55	3.69	-68.53
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1CCN(C)CC1	REAL300024528660	0	54	0.0	-71.68	433.68	0.28	-71.40
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1CC[NH+](C)CC1	REAL300024528660	1	54	0.0	-71.68	433.68	0.28	-71.40
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CN(C)CC(C)O1	REAL300024528701	0	53	0.0	-88.03	425.24	1.46	-86.57
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300024528701	1	53	0.0	-71.41	426.15	1.77	-69.64
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300024528701	1	53	0.0	-71.41	426.15	1.77	-69.64
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300024528745	0	52	0.0	-69.72	416.61	2.38	-67.34
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300024528803	0	50	0.0	-75.47	412.86	2.23	-73.24
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300024528803	1	50	0.0	-75.47	412.86	2.23	-73.24
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CNC1=CC=[NH+]C=C1	REAL300024528805	0	48	0.0	-72.95	409.50	-0.02	-72.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1([NH+](C)C)CCCC1	REAL300024528855	0	55	0.0	-66.85	421.94	3.05	-63.80
CCC1CN(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024528862	0	52	0.0	-72.59	427.39	2.61	-69.98
CCC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024528862	1	52	0.0	-72.59	427.39	2.61	-69.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024528871	0	49	0.0	-68.18	401.22	1.75	-66.43
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024528949	0	52	0.0	-74.56	423.40	2.41	-72.15
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(CC[NH+](C)C)CC1	REAL300024528957	0	55	0.0	-71.96	448.32	3.31	-68.65
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC=CC[N@@H+]1C	REAL300024528958	0	53	0.0	-76.21	424.92	2.75	-73.46
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC=CC[N@H+]1C	REAL300024528958	1	53	0.0	-76.21	424.92	2.75	-73.46
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)COCC[NH+](C)C	REAL300024528986	0	52	0.0	-69.76	430.53	1.83	-67.93
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1C=CSC1=[NH2+]	REAL300024529010	0	45	0.0	-68.58	400.97	0.87	-67.71
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CCCCC1	REAL300024529065	0	52	0.0	-71.53	416.39	2.64	-68.89
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300024529066	0	52	0.0	-66.99	412.05	2.53	-64.46
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300024529066	1	52	0.0	-71.22	419.27	2.40	-68.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CCCCCC1	REAL300024529067	0	55	0.0	-70.84	425.73	2.84	-68.00
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300024529070	0	47	0.0	-70.15	404.94	4.21	-65.94
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CCC(O)CC1	REAL300024529089	1	53	0.0	-76.03	427.52	-0.73	-76.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300024529090	1	49	0.0	-70.36	403.08	2.10	-68.26
CCOCC(N=[N+]=[N-])C(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1C	REAL300024529105	0	49	0.0	-23.63	425.69	-2.82	-26.45
CC(CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C[NH+](C)C	REAL300024529108	0	54	0.0	-76.88	431.78	2.76	-74.12
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1COCCN1C	REAL300024529125	0	53	0.0	-79.59	424.51	0.50	-79.09
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1COCC[N@@H+]1C	REAL300024529125	1	53	0.0	-78.13	425.35	0.57	-77.56
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1COCC[N@H+]1C	REAL300024529125	1	53	0.0	-79.59	424.51	0.50	-79.09
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024529186	0	53	0.0	-72.81	431.10	-0.85	-73.66
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(O)C1	REAL300024529186	1	53	0.0	-71.32	430.56	-0.83	-72.15
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1C[NH+](C)C1	REAL300024529207	0	49	0.0	-70.90	406.08	1.60	-69.30
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+](C)C	REAL300024529216	0	45	0.0	-72.05	374.68	0.77	-71.28
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[N@H+](C)CCO	REAL300024529230	0	52	0.0	-71.93	425.14	-1.25	-73.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[N@@H+](C)CCO	REAL300024529230	1	52	0.0	-72.36	425.13	-1.27	-73.63
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024529231	0	48	0.0	-72.45	391.90	1.11	-71.34
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CCCC[N@@H+]1C	REAL300024529245	0	55	0.0	-76.50	432.94	2.89	-73.61
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CCCC[N@H+]1C	REAL300024529245	1	55	0.0	-67.50	425.52	2.76	-64.74
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CC(C)C1	REAL300024529255	1	52	0.0	-69.06	423.83	2.46	-66.60
CC1CC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024529257	1	49	0.0	-69.39	400.39	1.59	-67.80
CC1CC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024529257	1	49	0.0	-69.57	400.44	1.56	-68.01
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=CC[NH+](C)C	REAL300024529263	0	49	0.0	-75.49	411.93	2.00	-73.49
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CCCC1CO	REAL300024529302	0	53	0.0	-71.23	424.29	-1.20	-72.43
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CCCC1CO	REAL300024529302	1	53	0.0	-71.25	429.32	-0.57	-71.82
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024529304	0	51	0.0	-71.56	410.02	2.06	-69.50
CC[NH+](CC)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024529341	0	54	0.0	-71.84	432.79	2.69	-69.15
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CCC1	REAL300024529391	1	49	0.0	-68.88	404.69	1.70	-67.18
CCC(CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C[NH+](C)C	REAL300024529396	0	57	0.0	-73.28	447.48	3.59	-69.69
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C(C)(C)C[NH+](C)C	REAL300024529401	0	54	0.0	-72.90	420.97	2.37	-70.53
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024529430	0	52	0.0	-68.95	415.67	2.30	-66.65
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024529430	1	52	0.0	-68.42	407.33	2.19	-66.23
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC(O)C[NH+](C)C	REAL300024529449	0	52	0.0	-75.72	427.27	-0.18	-75.90
C=CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024529469	0	52	0.0	-70.53	416.81	2.15	-68.38
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(C)CC[NH+](C)CC1	REAL300024529480	0	55	0.0	-70.74	431.75	2.80	-67.94
C[C@@H]1CN(C(=O)CSC(N)=[NH2+])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024529501	0	43	0.0	-66.88	382.26	-2.43	-69.31
C[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024529524	0	55	0.0	-71.15	445.45	3.01	-68.14
C[C@@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024529525	0	53	0.0	-67.86	425.90	2.80	-65.06
C[C@@H]1CN(C(=O)CC2CC=CC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024529525	1	53	0.0	-60.16	420.97	2.72	-57.44
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024529611	0	49	0.0	-62.89	396.78	1.60	-61.29
CC1C(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024529633	0	52	0.0	-64.38	415.29	2.21	-62.17
CC1C(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024529633	1	52	0.0	-64.38	415.29	2.21	-62.17
C[C@@H]1CN(C(=O)CC2COCCN2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024529661	0	53	0.0	-70.48	425.26	0.57	-69.91
C[C@@H]1CN(C(=O)CC2COCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024529661	1	53	0.0	-69.96	425.30	0.55	-69.41
C[C@@H]1CN(C(=O)CC2COCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024529661	1	53	0.0	-69.96	425.30	0.55	-69.41
C[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024529874	0	47	0.0	-69.37	387.67	-1.89	-71.26
CN1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024529898	0	48	0.0	-82.80	400.75	-2.51	-85.31
C[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024529898	1	48	0.0	-80.73	400.77	-2.50	-83.23
C[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024529898	1	48	0.0	-80.73	400.77	-2.50	-83.23
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530041	0	53	0.0	-71.94	415.98	-0.79	-72.73
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530041	1	53	0.0	-71.94	415.98	-0.79	-72.73
CC1=NC=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530063	0	45	0.0	-66.27	392.78	-1.35	-67.62
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530063	1	45	0.0	-66.27	392.78	-1.35	-67.62
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2C[NH+]3CCC2CC3)[C@@H](O)C1	REAL300024530081	0	51	0.0	-74.63	403.83	-1.21	-75.84
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC[N@@H+]1C	REAL300024530107	0	50	0.0	-77.08	406.44	-1.69	-78.77
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC[N@H+]1C	REAL300024530107	1	50	0.0	-77.08	406.44	-1.69	-78.77
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC[N@@H+]1C	REAL300024530109	0	53	0.0	-73.86	424.11	-0.72	-74.58
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC[N@H+]1C	REAL300024530109	1	53	0.0	-73.86	424.11	-0.72	-74.58
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530156	0	53	0.0	-70.78	410.23	-1.34	-72.12
O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530158	0	53	0.0	-74.08	432.53	-0.44	-74.52
O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530160	0	53	0.0	-73.57	426.60	-0.54	-74.11
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530163	0	53	0.0	-69.88	423.33	-0.72	-70.60
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530163	1	53	0.0	-70.16	413.72	-0.89	-71.05
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CCC1	REAL300024530172	0	50	0.0	-68.88	396.81	-1.47	-70.35
CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+](C)C	REAL300024530178	0	52	0.0	-69.50	412.70	-0.75	-70.25
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)C1CCC1	REAL300024530196	0	50	0.0	-70.62	409.65	-0.98	-71.60
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)C1CCC1	REAL300024530196	1	50	0.0	-71.43	409.71	-0.98	-72.41
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530251	0	53	0.0	-73.10	430.71	-0.61	-73.71
C[N@H+]1CCCC1CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530251	1	53	0.0	-75.97	426.93	-0.60	-76.57
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC1	REAL300024530267	0	50	0.0	-73.33	407.99	-1.29	-74.62
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530290	0	50	0.0	-69.70	395.30	-1.55	-71.25
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530290	1	50	0.0	-68.68	405.43	-1.37	-70.05
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530348	1	45	0.0	-72.93	392.35	-0.62	-73.55
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1	REAL300024530364	0	51	0.0	-69.53	405.93	-1.16	-70.69
C[N@@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024530369	0	50	0.0	-76.40	409.23	-1.38	-77.78
C[N@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024530369	1	50	0.0	-74.86	409.04	-1.36	-76.22
CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+](C)C	REAL300024530375	0	49	0.0	-66.36	393.78	-1.96	-68.32
C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530416	0	52	0.0	-76.10	428.06	-0.84	-76.94
CC(C)C(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+](C)C	REAL300024530426	0	52	0.0	-71.76	407.77	-1.43	-73.19
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530427	0	52	0.0	-75.23	424.29	-1.01	-76.24
CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530427	1	52	0.0	-75.06	424.30	-1.03	-76.09
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530430	0	49	0.0	-72.94	402.58	-1.54	-74.48
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530430	1	49	0.0	-73.25	402.70	-1.56	-74.81
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C23CC[N@H+](C2)CCC3)[C@@H](O)C1	REAL300024530439	0	51	0.0	-73.83	404.73	-1.78	-75.61
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C23CC[N@@H+](C2)CCC3)[C@@H](O)C1	REAL300024530439	1	51	0.0	-80.35	403.49	-1.65	-82.00
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530460	0	47	0.0	-69.68	382.66	-2.42	-72.10
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530460	1	47	0.0	-69.85	388.53	-1.90	-71.75
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530487	0	49	0.0	-70.97	399.51	-1.60	-72.57
CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC1	REAL300024530540	0	53	0.0	-73.44	426.36	-0.47	-73.91
C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC1	REAL300024530558	0	50	0.0	-65.29	415.90	-1.17	-66.46
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC1	REAL300024530604	0	50	0.0	-73.33	407.99	-1.29	-74.62
CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+](C)C	REAL300024530619	0	52	0.0	-69.64	412.03	-0.76	-70.40
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530675	0	49	0.0	-74.46	402.79	-1.75	-76.21
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530675	1	49	0.0	-74.41	402.79	-1.75	-76.16
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530697	0	50	0.0	-66.78	408.72	-1.16	-67.94
CC1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530697	1	50	0.0	-69.71	402.14	-1.60	-71.31
CC1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024530698	0	50	0.0	-71.55	407.96	-1.28	-72.83
CC1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024530698	1	50	0.0	-68.95	409.11	-1.21	-70.16
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024530699	0	53	0.0	-72.16	428.38	-0.70	-72.86
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024530699	1	53	0.0	-72.30	428.27	-0.72	-73.02
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+](C)C	REAL300024530706	0	49	0.0	-65.97	394.70	-1.93	-67.90
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530776	0	43	0.0	-72.89	362.71	-2.97	-75.86
O=C(C[NH+]1CCCCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530779	0	53	0.0	-72.47	413.83	-0.92	-73.39
CN1C=C[N+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)=C1	REAL300024530781	0	45	0.0	-71.44	394.63	0.55	-70.89
C[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024530784	0	50	0.0	-73.11	407.15	-1.34	-74.45
C[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024530784	1	50	0.0	-68.16	401.72	-1.15	-69.31
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2CCC[N@@H+]2C2CC2)[C@@H](O)C1	REAL300024530789	0	51	0.0	-74.90	416.41	-0.87	-75.77
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2CCC[N@H+]2C2CC2)[C@@H](O)C1	REAL300024530789	1	51	0.0	-70.16	408.97	-0.15	-70.31
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+]1CCC1	REAL300024530799	1	47	0.0	-67.26	393.39	-2.02	-69.28
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530807	0	52	0.0	-74.20	413.24	-1.21	-75.41
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)C1CC1	REAL300024530818	0	47	0.0	-66.79	392.67	-1.55	-68.34
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)C1CC1	REAL300024530818	1	47	0.0	-67.59	392.79	-1.54	-69.13
C[NH+]1CC(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024530832	0	47	0.0	-75.00	394.13	-2.15	-77.15
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530842	0	53	0.0	-68.91	424.18	-1.27	-70.18
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530842	1	53	0.0	-64.15	425.86	-1.18	-65.33
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+](C)C	REAL300024530851	0	46	0.0	-69.02	381.52	-2.55	-71.57
[N-]=[N+]=NCC(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@@H]1O	REAL300024530858	0	37	0.0	-25.86	340.32	-7.36	-33.22
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530899	0	43	0.0	-65.19	390.45	-2.77	-67.96
C[N@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530904	0	50	0.0	-73.93	413.15	-4.97	-78.90
C[N@@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530904	1	50	0.0	-74.26	413.10	-4.98	-79.24
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+](C)C	REAL300024530905	0	46	0.0	-69.02	381.52	-2.55	-71.57
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530908	0	50	0.0	-70.22	396.03	-1.54	-71.76
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530908	1	50	0.0	-68.65	405.35	-1.36	-70.01
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024530964	0	48	0.0	-77.54	402.35	-1.43	-78.97
C[N@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024530964	1	48	0.0	-76.59	401.55	-1.43	-78.02
C[NH+](C)CCOCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024530982	0	50	0.0	-73.14	419.27	-1.91	-75.05
C=CCC(C)(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+](C)C	REAL300024530993	0	53	0.0	-66.94	419.01	-0.70	-67.64
CC1CN(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024531024	0	47	0.0	-70.31	393.51	-1.80	-72.11
CC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024531024	1	47	0.0	-70.31	393.51	-1.80	-72.11
CN(CCO)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531040	0	47	0.0	-74.25	391.56	-5.54	-79.79
C[N@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531040	1	47	0.0	-73.05	391.22	-5.52	-78.57
C[N@@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531040	1	47	0.0	-73.05	391.22	-5.52	-78.57
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024531057	0	53	0.0	-72.90	425.70	-0.69	-73.59
CC[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024531057	1	53	0.0	-72.90	425.70	-0.69	-73.59
CC(CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)C[NH+](C)C	REAL300024531059	0	52	0.0	-75.42	420.66	-0.97	-76.39
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531062	0	46	0.0	-72.92	381.20	-2.31	-75.23
CC[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)C1CC1	REAL300024531085	0	50	0.0	-66.90	409.74	-0.97	-67.87
CC[NH+](CC)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531093	0	52	0.0	-73.67	420.80	-1.06	-74.73
C[NH+](C)CC=CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531121	0	47	0.0	-75.40	400.64	-1.70	-77.10
COCCN(C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531134	0	50	0.0	-72.65	413.47	-3.12	-75.77
COCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531134	1	50	0.0	-74.47	413.81	-3.14	-77.61
COCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531134	1	50	0.0	-74.47	413.81	-3.14	-77.61
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CCCC1	REAL300024531150	0	53	0.0	-69.72	415.51	-0.68	-70.40
CC(CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+](C)C	REAL300024531152	0	52	0.0	-75.10	416.04	-1.24	-76.34
CC[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531158	1	47	0.0	-66.25	395.94	-1.97	-68.22
CC[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531158	1	47	0.0	-72.37	395.02	-1.94	-74.31
C[NH+]1CCC(C)(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC1	REAL300024531182	0	53	0.0	-74.86	420.64	-0.88	-75.74
C=CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+](C)C	REAL300024531198	0	50	0.0	-69.35	406.60	-1.39	-70.74
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531205	0	53	0.0	-68.87	423.19	-1.36	-70.23
C[N@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531205	1	53	0.0	-73.12	423.78	-1.35	-74.47
O=C(C[NH+]1CC2CC2C1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531210	0	48	0.0	-69.49	398.87	-1.06	-70.55
CCCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+](C)C	REAL300024531222	0	52	0.0	-71.21	417.55	-1.04	-72.25
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531225	0	49	0.0	-65.85	391.75	-1.77	-67.62
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531245	0	50	0.0	-69.70	395.30	-1.55	-71.25
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531245	1	50	0.0	-68.68	405.43	-1.37	-70.05
C[N@H+]1CC=C(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC1	REAL300024531264	0	51	0.0	-72.91	421.73	-0.63	-73.54
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC1	REAL300024531264	1	51	0.0	-71.12	422.53	-0.63	-71.75
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531293	0	51	0.0	-76.65	423.56	-0.63	-77.28
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC1	REAL300024531317	0	47	0.0	-74.67	389.82	-1.98	-76.65
O=C(CC[NH+]1CCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531318	0	50	0.0	-73.64	410.93	-1.23	-74.87
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2C[NH+]3CCN2CC3)[C@@H](O)C1	REAL300024531338	0	50	0.0	-77.83	399.94	-4.48	-82.31
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]1O)C2	REAL300024531342	1	48	0.0	-74.38	395.84	-1.83	-76.21
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]1O)C2	REAL300024531342	1	48	0.0	-76.17	393.84	-1.90	-78.07
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531347	0	51	0.0	-67.49	409.87	-0.84	-68.33
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531347	1	51	0.0	-70.60	409.67	-0.87	-71.47
CC(C[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531408	0	49	0.0	-67.22	401.57	-1.62	-68.84
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531444	0	53	0.0	-74.81	421.84	-0.78	-75.59
C[N@H+]1CCCCC1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531444	1	53	0.0	-72.60	422.66	-0.76	-73.36
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O)[NH+]1CC(C)C1	REAL300024531453	1	50	0.0	-66.94	411.99	-1.32	-68.26
CC1CC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531455	1	47	0.0	-70.30	389.08	-2.08	-72.38
CC1CC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531455	1	47	0.0	-70.65	389.01	-2.09	-72.74
C[NH+](C)CC(O)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531457	0	50	0.0	-73.22	416.77	-3.91	-77.13
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024531509	0	50	0.0	-75.94	413.11	-1.24	-77.18
CC(CC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531513	0	52	0.0	-74.80	422.62	-1.05	-75.85
C[NH+]1CCN(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC1	REAL300024531528	1	52	0.0	-75.17	422.10	-3.46	-78.63
C[N@@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024531697	0	47	0.0	-72.27	386.11	-2.17	-74.44
C[N@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024531697	1	47	0.0	-75.91	382.14	-2.54	-78.45
C[N@@H+]1CCOC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024531723	1	48	0.0	-77.23	389.24	-2.92	-80.15
C[N@H+]1CCOC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024531723	1	48	0.0	-91.53	396.19	-2.72	-94.25
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O	REAL300024531879	0	51	0.0	-72.14	400.17	-1.62	-73.76
C[N@@H+]1CCC(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024531900	0	50	0.0	-81.13	409.83	-1.40	-82.53
C[N@H+]1CCC(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024531900	1	50	0.0	-80.89	409.70	-1.38	-82.27
CCC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)[NH+](C)C	REAL300024531906	0	49	0.0	-73.26	389.38	-2.18	-75.44
C[NH+](C)CCCCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024531935	0	52	0.0	-79.86	428.74	-0.83	-80.69
CC(C)C(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)[NH+](C)C	REAL300024531947	0	52	0.0	-75.35	405.30	-1.31	-76.66
CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024531948	0	52	0.0	-79.74	424.97	-1.02	-80.76
CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024531948	1	52	0.0	-79.88	424.97	-1.02	-80.90
CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024531951	0	49	0.0	-76.68	402.82	-1.62	-78.30
CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024531951	1	49	0.0	-77.14	401.93	-1.61	-78.75
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@@H]1O	REAL300024531960	0	51	0.0	-79.01	396.69	-2.12	-81.13
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@@H]1O	REAL300024531960	1	51	0.0	-86.34	395.73	-2.16	-88.50
CC1CC[NH+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC1	REAL300024531984	0	53	0.0	-77.47	425.18	-0.54	-78.01
C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC1	REAL300024532021	0	50	0.0	-80.14	410.26	-1.48	-81.62
CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532038	0	49	0.0	-80.06	402.80	-1.78	-81.84
CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532038	1	49	0.0	-79.09	403.48	-1.75	-80.84
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@@H]1O	REAL300024532049	0	51	0.0	-82.40	401.40	-1.47	-83.87
C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC1	REAL300024532086	0	50	0.0	-84.52	402.90	-1.63	-86.15
CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)[NH+](C)C	REAL300024532101	0	52	0.0	-74.98	406.79	-1.55	-76.53
C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CCC1	REAL300024532161	0	50	0.0	-79.12	390.69	-2.15	-81.27
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532195	0	50	0.0	-73.44	401.39	-1.65	-75.09
CC1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532195	1	50	0.0	-73.43	408.33	-1.34	-74.77
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532221	0	53	0.0	-74.55	412.56	-0.78	-75.33
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532221	1	53	0.0	-71.97	418.03	-1.08	-73.05
CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)[NH+](C)C	REAL300024532228	0	52	0.0	-73.50	407.80	-1.19	-74.69
CC1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024532238	0	50	0.0	-76.32	408.82	-1.31	-77.63
CC1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024532238	1	50	0.0	-75.66	409.64	-1.35	-77.01
CC1(C)CC[N@H+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024532239	0	53	0.0	-76.02	427.60	-0.76	-76.78
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024532239	1	53	0.0	-75.57	428.23	-0.76	-76.33
CC[C@@H](C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)[NH+](C)C	REAL300024532246	0	49	0.0	-73.31	393.95	-1.97	-75.28
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532324	1	45	0.0	-73.38	392.78	-1.40	-74.78
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532382	1	45	0.0	-74.96	393.15	-0.67	-75.63
C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC[N@@H+]1C	REAL300024532386	0	50	0.0	-76.96	400.64	-1.69	-78.65
C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC[N@H+]1C	REAL300024532386	1	50	0.0	-79.12	403.80	-1.45	-80.57
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC[N@@H+]1C	REAL300024532388	0	53	0.0	-80.34	415.34	-1.52	-81.86
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC[N@H+]1C	REAL300024532388	1	53	0.0	-77.26	419.42	-1.02	-78.28
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532393	0	53	0.0	-73.01	422.76	-0.95	-73.96
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O	REAL300024532395	0	53	0.0	-79.46	432.56	-0.45	-79.91
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O	REAL300024532398	0	53	0.0	-78.36	427.40	-0.55	-78.91
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532401	0	53	0.0	-75.75	414.61	-1.09	-76.84
CC[N@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532401	1	53	0.0	-72.09	422.70	-0.83	-72.92
C[N@H+](CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)C1CCC1	REAL300024532478	0	50	0.0	-74.03	409.70	-1.03	-75.06
C[N@@H+](CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)C1CCC1	REAL300024532478	1	50	0.0	-74.88	408.73	-1.04	-75.92
C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC1	REAL300024532498	0	50	0.0	-84.52	402.90	-1.63	-86.15
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532520	0	47	0.0	-76.68	381.85	-2.52	-79.20
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532520	1	47	0.0	-73.44	383.66	-2.21	-75.65
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532537	1	49	0.0	-74.06	408.85	-1.30	-75.36
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532537	1	49	0.0	-73.98	410.97	-0.94	-74.92
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532542	0	53	0.0	-79.67	431.69	-0.46	-80.13
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532542	1	53	0.0	-76.08	425.32	-0.95	-77.03
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532601	0	50	0.0	-78.09	396.58	-1.74	-79.83
C[N@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532601	1	50	0.0	-73.18	404.81	-1.47	-74.65
CC1C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC[N@@H+]1C	REAL300024532646	0	50	0.0	-79.95	399.64	-1.73	-81.68
CC1C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC[N@H+]1C	REAL300024532646	1	50	0.0	-79.85	404.06	-1.45	-81.30
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532693	0	53	0.0	-73.66	424.82	-1.32	-74.98
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532693	1	53	0.0	-73.18	404.56	-2.07	-75.25
C[C@@H](C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)[NH+](C)C	REAL300024532705	0	46	0.0	-75.10	380.33	-2.63	-77.73
C=CCC(C)(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)[NH+](C)C	REAL300024532717	0	53	0.0	-68.27	406.87	-1.58	-69.85
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@@H]1O	REAL300024532729	0	50	0.0	-78.81	410.70	-1.33	-80.14
C[N@H+](CCO)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532735	1	47	0.0	-78.08	390.78	-5.59	-83.67
C[N@@H+](CCO)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532735	1	47	0.0	-77.37	391.46	-5.59	-82.96
C[N@H+]1CC=C(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC1	REAL300024532780	0	51	0.0	-75.15	422.50	-0.65	-75.80
C[N@@H+]1CC=C(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC1	REAL300024532780	1	51	0.0	-72.07	423.39	-0.63	-72.70
CC1C[NH+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024532820	1	47	0.0	-76.88	394.34	-1.93	-78.81
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024532825	0	53	0.0	-69.80	414.35	-0.85	-70.65
CC[N@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024532825	1	53	0.0	-60.71	414.89	-0.72	-61.43
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@@H]1O	REAL300024532836	0	51	0.0	-71.91	416.86	-0.71	-72.62
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@@H]1O	REAL300024532836	1	51	0.0	-75.47	412.45	-1.17	-76.64
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@@H]1O	REAL300024532855	0	51	0.0	-82.57	424.08	-0.63	-83.20
CC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532890	0	46	0.0	-76.88	380.43	-2.35	-79.23
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CN2CC3C=CC2C3)C[C@@H]1O	REAL300024532917	0	49	0.0	-72.72	401.79	-1.15	-73.87
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@@H]1O	REAL300024532917	1	49	0.0	-74.95	402.64	-1.03	-75.98
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@@H]1O	REAL300024532917	1	49	0.0	-74.95	402.64	-1.03	-75.98
COCCN(C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532990	0	50	0.0	-77.52	413.51	-3.16	-80.68
COCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532990	1	50	0.0	-78.37	413.03	-3.19	-81.56
COCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024532990	1	50	0.0	-78.37	413.03	-3.19	-81.56
CC(CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)[NH+](C)C	REAL300024532993	0	52	0.0	-77.28	420.67	-1.22	-78.50
CC[N@H+](CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)C1CC1	REAL300024533005	0	50	0.0	-73.58	409.53	-1.01	-74.59
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C1)C2	REAL300024533029	0	48	0.0	-80.13	390.49	-2.00	-82.13
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@@H]1O	REAL300024533036	0	51	0.0	-73.94	406.75	-1.09	-75.03
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)C[C@@H]1O	REAL300024533036	1	51	0.0	-73.94	406.75	-1.09	-75.03
CC(C[NH+](C)C)C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533049	0	49	0.0	-72.14	400.33	-1.94	-74.08
CCN1CCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533076	0	47	0.0	-74.37	386.72	-2.32	-76.69
CC[N@@H+]1CCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533076	1	47	0.0	-77.00	393.70	-2.06	-79.06
CC[N@H+]1CCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533076	1	47	0.0	-77.00	393.70	-2.06	-79.06
CCCC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)[NH+](C)C	REAL300024533110	0	52	0.0	-74.07	412.79	-1.34	-75.41
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533114	0	49	0.0	-79.47	382.28	-2.66	-82.13
CC(CC[NH+](C)C)C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533127	0	52	0.0	-78.66	419.09	-1.40	-80.06
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533174	0	53	0.0	-72.82	425.87	-1.07	-73.89
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533174	1	53	0.0	-73.01	426.60	-1.03	-74.04
C[NH+]1CCN(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC1	REAL300024533181	1	52	0.0	-74.84	423.68	-3.48	-78.32
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@@H]1O	REAL300024533243	0	48	0.0	-76.15	399.64	-1.10	-77.25
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533258	0	50	0.0	-78.09	396.58	-1.74	-79.83
C[N@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533258	1	50	0.0	-73.18	404.81	-1.47	-74.65
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024533313	0	48	0.0	-82.07	399.66	-1.48	-83.55
C[N@H+]1CCC(=CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024533313	1	48	0.0	-80.59	400.32	-1.44	-82.03
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CNC2=CC=[NH+]C=C2)C[C@@H]1O	REAL300024533315	0	46	0.0	-77.36	399.11	-3.73	-81.09
[N-]=[N+]=NCC(=O)N1C[C@@H](NC(=O)CSC2=NC(=O)NN2)[C@@H](O)C1	REAL300024533338	0	37	0.0	-28.37	339.70	-7.42	-35.79
C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CCCC1	REAL300024533364	0	53	0.0	-81.71	402.05	-1.49	-83.20
CCC1C[NH+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024533371	1	50	0.0	-78.01	415.80	-1.20	-79.21
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533380	0	47	0.0	-73.54	384.84	-2.18	-75.72
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533380	1	47	0.0	-76.18	382.21	-2.53	-78.71
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024533454	0	50	0.0	-75.36	413.81	-1.25	-76.61
C[NH+](C)CCC1(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC1	REAL300024533461	0	53	0.0	-81.06	433.93	-0.69	-81.75
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533462	0	51	0.0	-80.94	415.51	-0.90	-81.84
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533462	1	51	0.0	-70.85	409.62	-0.96	-71.81
C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533489	0	50	0.0	-76.54	420.15	-1.87	-78.41
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533512	0	43	0.0	-73.12	390.46	-2.82	-75.94
C[N@@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024533564	0	50	0.0	-63.70	398.05	-1.45	-65.15
C[N@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024533564	1	50	0.0	-63.70	398.05	-1.45	-65.15
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@@H]1O	REAL300024533565	0	53	0.0	-75.71	414.64	-0.95	-76.66
CN1C=C[N+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)=C1	REAL300024533567	0	45	0.0	-74.75	394.64	0.50	-74.25
C[N@H+](CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)C1CC1	REAL300024533586	0	47	0.0	-74.00	392.90	-1.60	-75.60
CC(CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)C[NH+](C)C	REAL300024533600	0	52	0.0	-80.76	419.92	-0.99	-81.75
C[NH+]1CC(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024533691	0	47	0.0	-78.83	394.81	-2.15	-80.98
C[N@H+](CCO)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533713	0	50	0.0	-79.19	413.10	-4.99	-84.18
C[N@@H+](CCO)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533713	1	50	0.0	-79.19	413.10	-4.99	-84.18
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533727	0	53	0.0	-68.29	415.13	-0.93	-69.22
C[N@H+]1CCCCC1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533727	1	53	0.0	-68.29	415.13	-0.93	-69.22
CC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)N1CC(C)C1	REAL300024533737	0	50	0.0	-74.79	407.53	-1.65	-76.44
CC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)[NH+]1CC(C)C1	REAL300024533737	1	50	0.0	-74.79	407.53	-1.65	-76.44
CC1CCN1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533739	0	47	0.0	-76.08	394.73	-1.91	-77.99
CC1CC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533739	1	47	0.0	-75.03	388.43	-2.22	-77.25
CC1CC[N@H+]1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533739	1	47	0.0	-75.03	388.43	-2.22	-77.25
C[NH+](C)CC=CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533745	0	47	0.0	-81.45	399.71	-1.78	-83.23
CC1(C)CN(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024533750	0	50	0.0	-76.27	414.68	-1.41	-77.68
CC1(C)C[NH+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C1	REAL300024533750	1	50	0.0	-76.27	414.68	-1.41	-77.68
CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533784	0	49	0.0	-75.12	399.12	-1.66	-76.78
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CN2CCC2)C[C@@H]1O	REAL300024533793	0	44	0.0	-77.46	372.77	-2.59	-80.05
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@@H]1O	REAL300024533793	1	44	0.0	-77.46	372.77	-2.59	-80.05
CC[NH+](CC)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533820	0	52	0.0	-78.71	420.53	-1.06	-79.77
CC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)N1CCC1	REAL300024533870	0	47	0.0	-63.03	393.01	-2.05	-65.08
CC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)[NH+]1CCC1	REAL300024533870	1	47	0.0	-63.03	393.01	-2.05	-65.08
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533879	0	52	0.0	-78.04	403.29	-1.86	-79.90
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533906	0	50	0.0	-72.00	402.94	-1.52	-73.52
C[NH+](C)CC(O)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024533923	0	50	0.0	-83.91	415.21	-3.93	-87.84
C=CCC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C1)[NH+](C)C	REAL300024533942	0	50	0.0	-72.55	404.65	-1.66	-74.21
C[NH+]1CCC(C)(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)CC1	REAL300024533952	0	53	0.0	-76.68	411.09	-1.47	-78.15
NC(=[NH2+])SCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024533973	0	41	0.0	-69.08	372.21	-5.99	-75.07
C[NH+](C)CCC1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC1	REAL300024533993	0	53	0.0	-75.37	438.73	-0.40	-75.77
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024533994	0	51	0.0	-65.48	408.93	-0.98	-66.46
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024533994	1	51	0.0	-65.48	408.93	-0.98	-66.46
CCC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)C1	REAL300024534072	1	50	0.0	-70.65	415.83	-1.14	-71.79
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024534077	1	47	0.0	-73.30	383.32	-2.41	-75.71
O=C(C[NH+]1CCCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024534090	0	50	0.0	-69.07	405.13	-1.08	-70.15
CC1C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC[N@@H+]1C	REAL300024534094	0	50	0.0	-76.06	400.93	-1.77	-77.83
CC1C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)CC[N@H+]1C	REAL300024534094	1	50	0.0	-74.75	409.95	-1.56	-76.31
C[N@@H+]1CCCC1C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534274	0	53	0.0	-73.09	408.17	3.75	-69.34
C[N@H+]1CCCC1C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534274	1	53	0.0	-73.65	407.21	3.77	-69.88
CCC(C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300024534377	0	55	0.0	-74.56	415.77	4.00	-70.56
CCC[N@H+](C)CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534382	0	55	0.0	-64.23	420.40	4.97	-59.26
CCC[N@@H+](C)CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534382	1	55	0.0	-64.63	420.05	5.09	-59.54
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534390	0	53	0.0	-73.78	405.34	3.32	-70.46
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534390	1	53	0.0	-61.41	403.30	4.38	-57.03
CC[NH+](CC)CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534395	0	55	0.0	-63.46	412.82	4.71	-58.75
CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534453	0	55	0.0	-68.42	421.35	4.95	-63.47
CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534453	1	55	0.0	-68.47	421.36	4.95	-63.52
CC[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300024534456	0	55	0.0	-75.49	415.93	4.01	-71.48
C[NH+](C)CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534474	0	49	0.0	-64.82	381.46	3.55	-61.27
CC(C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+]1CCC1	REAL300024534478	1	53	0.0	-74.68	405.07	3.54	-71.14
C[N@H+](CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)C1CC1	REAL300024534485	0	53	0.0	-60.90	410.68	4.96	-55.94
C[N@@H+](CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)C1CC1	REAL300024534485	1	53	0.0	-62.51	410.84	4.96	-57.55
C[NH+]1CC(CC(=O)N2CC[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300024534491	0	53	0.0	-69.00	412.72	4.54	-64.46
C[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300024534498	0	52	0.0	-64.60	397.45	3.69	-60.91
[N-]=[N+]=NCC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NC(=O)NN3)[C@H]2C1	REAL300024534501	0	43	0.0	-23.87	357.92	-0.64	-24.51
C[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300024534520	0	52	0.0	-64.60	397.45	3.69	-60.91
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CCN(C(=O)C[NH+]3CCC3)C[C@@H]21	REAL300024534538	1	50	0.0	-65.62	391.89	4.08	-61.54
C[C@H](C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300024534549	0	52	0.0	-61.34	397.26	3.63	-57.71
CC1C[NH+](CC(=O)N2CC[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300024534556	1	53	0.0	-66.15	410.66	4.95	-61.20
C[N@H+](CCO)CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534567	1	53	0.0	-66.71	408.91	1.11	-65.60
C[N@@H+](CCO)CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534567	1	53	0.0	-64.63	409.03	0.99	-63.64
CC[N@H+](C)CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534574	0	52	0.0	-63.92	398.96	4.30	-59.62
CC[N@@H+](C)CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534574	1	52	0.0	-64.40	398.56	4.36	-60.04
C[NH+](C)CC=CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534592	0	53	0.0	-64.40	421.92	4.02	-60.38
CC[N@@H+]1CCC1C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534598	1	53	0.0	-66.18	412.34	4.54	-61.64
CC[N@H+]1CCC1C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534598	1	53	0.0	-65.96	411.68	4.74	-61.22
C[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534612	0	55	0.0	-79.53	406.19	3.17	-76.36
C[NH+](C)C1(C(=O)N2CC[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)CC1	REAL300024534635	0	53	0.0	-67.83	400.41	3.90	-63.93
CC(C[NH+](C)C)C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534657	0	55	0.0	-79.98	419.79	3.76	-76.22
CC1CC[N@@H+]1CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534668	1	53	0.0	-62.75	407.80	4.51	-58.24
CC1CC[N@H+]1CC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024534668	1	53	0.0	-63.04	407.25	4.42	-58.62
C[N@@H+]1CCCC1C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024534783	0	53	0.0	-57.83	402.80	4.46	-53.37
C[N@H+]1CCCC1C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024534783	1	53	0.0	-70.61	404.21	3.30	-67.31
CCC(C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300024534857	0	55	0.0	-62.49	408.53	4.57	-57.92
CCC[N@H+](C)CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024534860	0	55	0.0	-61.44	420.04	5.16	-56.28
CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024534860	1	55	0.0	-61.02	420.05	5.16	-55.86
CC[N@H+](C)CCC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024534876	0	55	0.0	-75.33	426.87	4.10	-71.23
CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024534876	1	55	0.0	-64.62	420.92	5.06	-59.56
CC[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300024534902	0	55	0.0	-70.86	416.13	3.86	-67.00
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024534939	0	53	0.0	-65.32	399.93	4.12	-61.20
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024534939	1	53	0.0	-60.14	403.60	4.51	-55.63
C[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300024534984	0	52	0.0	-58.71	396.58	4.12	-54.59
C[N@H+](CCO)CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024534994	1	53	0.0	-61.00	408.89	1.17	-59.83
C[N@@H+](CCO)CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024534994	1	53	0.0	-74.51	414.00	0.47	-74.04
CC1C[NH+](CC(=O)N2CC[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300024535010	1	53	0.0	-62.12	410.93	4.94	-57.18
CC[N@H+](C)CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535026	0	52	0.0	-61.18	398.54	4.41	-56.77
CC[N@@H+](C)CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535026	1	52	0.0	-60.88	398.53	4.40	-56.48
CC(C[NH+](C)C)C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535053	0	55	0.0	-67.25	416.65	4.87	-62.38
C[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300024535057	0	52	0.0	-62.63	396.65	4.10	-58.53
CC[N@@H+]1CCC1C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535060	1	53	0.0	-59.29	401.42	4.16	-55.13
CC[N@H+]1CCC1C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535060	1	53	0.0	-58.02	402.40	4.12	-53.90
[N-]=[N+]=NCC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NC(=O)NN3)C[C@@H]21	REAL300024535110	0	43	0.0	-26.58	363.36	-1.36	-27.94
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535119	0	53	0.0	-69.09	409.53	3.64	-65.45
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535119	1	53	0.0	-57.50	395.43	4.02	-53.48
C[N@H+](CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CC1	REAL300024535149	0	53	0.0	-59.10	410.08	5.15	-53.95
C[N@@H+](CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CC1	REAL300024535149	1	53	0.0	-58.59	410.22	5.16	-53.43
C[NH+]1CC(CC(=O)N2CC[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300024535173	0	53	0.0	-61.62	412.12	4.65	-56.97
C[NH+](C)CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535176	0	49	0.0	-61.11	381.48	3.61	-57.50
C[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300024535179	0	52	0.0	-58.71	396.58	4.12	-54.59
CC1CC[N@@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535186	1	53	0.0	-71.59	412.11	3.85	-67.74
CC1CC[N@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535186	1	53	0.0	-59.31	406.11	4.67	-54.64
C[NH+](C)CC=CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535187	0	53	0.0	-65.97	416.55	4.92	-61.05
CC[NH+](CC)CC(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535193	0	55	0.0	-71.18	423.10	4.18	-67.00
O=C(C[NH+]1CCC1)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024535194	1	50	0.0	-61.37	391.79	4.15	-57.22
CC(C(=O)N1CC[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+]1CCC1	REAL300024535212	1	53	0.0	-59.02	410.53	3.53	-55.49
NC(=[NH2+])SCC(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024535243	0	47	0.0	-70.65	389.08	0.66	-69.99
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024535275	0	53	0.0	-73.63	408.72	3.61	-70.02
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300024535275	1	53	0.0	-68.07	400.43	3.84	-64.23
C[N@@H+]1CCCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535458	0	52	0.0	-62.73	418.41	1.50	-61.23
C[N@H+]1CCCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535458	1	52	0.0	-64.22	411.88	1.05	-63.17
C[N@@H+]1CCOC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024535482	1	53	0.0	-66.13	422.15	0.78	-65.35
C[N@H+]1CCOC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024535482	1	53	0.0	-71.12	429.25	0.95	-70.17
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535621	1	50	0.0	-63.61	420.28	2.08	-61.53
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024535639	0	55	0.0	-66.60	428.45	1.48	-65.12
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024535639	1	55	0.0	-65.59	434.75	1.74	-63.85
C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024535659	0	55	0.0	-62.29	425.96	1.99	-60.30
CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024535661	0	57	0.0	-63.39	439.67	2.19	-61.20
C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024535670	0	55	0.0	-64.87	438.12	2.49	-62.38
C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024535670	1	55	0.0	-64.50	438.00	2.48	-62.02
C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024535694	0	55	0.0	-69.17	436.44	2.17	-67.00
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535700	0	55	0.0	-64.36	424.53	1.92	-62.44
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535700	1	55	0.0	-63.71	424.53	1.92	-61.79
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535717	1	50	0.0	-65.21	421.64	2.84	-62.37
C[N@@H+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024535727	0	55	0.0	-67.47	438.41	2.10	-65.37
C[N@H+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024535727	1	55	0.0	-67.46	438.56	2.12	-65.34
CCC(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024535730	0	54	0.0	-63.33	422.06	1.54	-61.79
C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535744	0	57	0.0	-68.08	457.24	2.63	-65.45
CC(C)C(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024535747	0	57	0.0	-64.94	440.93	2.72	-62.22
CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535748	0	57	0.0	-67.60	453.48	2.44	-65.16
CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535748	1	57	0.0	-67.79	453.48	2.45	-65.34
CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535749	0	54	0.0	-66.51	431.11	1.92	-64.59
CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535749	1	54	0.0	-66.43	431.11	1.92	-64.51
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535764	0	52	0.0	-65.96	411.87	1.05	-64.91
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535764	1	52	0.0	-63.63	418.16	1.57	-62.06
CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535776	0	54	0.0	-64.55	423.46	1.58	-62.97
C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024535830	0	55	0.0	-67.18	443.60	2.20	-64.98
C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024535852	0	55	0.0	-69.17	436.44	2.17	-67.00
CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024535867	0	57	0.0	-65.31	441.07	2.63	-62.68
CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535894	0	54	0.0	-67.04	431.98	1.70	-65.34
CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535894	1	54	0.0	-67.22	431.98	1.69	-65.53
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535904	0	55	0.0	-63.05	430.55	1.88	-61.17
CC1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535904	1	55	0.0	-63.31	430.58	1.88	-61.43
CC1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024535905	0	55	0.0	-65.38	437.23	2.18	-63.20
CC1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024535905	1	55	0.0	-65.57	437.21	2.18	-63.39
CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024535907	0	54	0.0	-63.44	422.53	1.50	-61.94
C[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535943	0	48	0.0	-66.83	391.88	0.50	-66.33
CN1C=C[N+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024535944	0	50	0.0	-63.89	423.11	4.01	-59.88
C[N@@H+]1CCCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024535947	0	55	0.0	-62.52	430.21	2.33	-60.19
C[N@H+]1CCCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024535947	1	55	0.0	-61.38	430.19	2.33	-59.05
CC(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024535954	1	52	0.0	-63.57	420.10	1.58	-61.99
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024535957	0	57	0.0	-63.07	441.01	2.35	-60.72
C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024535964	0	52	0.0	-63.91	421.14	1.91	-62.00
C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024535964	1	52	0.0	-63.62	421.14	1.91	-61.71
C[NH+]1CC(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024535975	0	52	0.0	-66.50	423.30	1.32	-65.18
C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024535987	0	51	0.0	-64.18	409.99	0.90	-63.28
[N-]=[N+]=NCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300024535994	0	42	0.0	-22.09	368.84	-3.89	-25.98
C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024536025	0	51	0.0	-64.18	409.99	0.90	-63.28
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536028	0	55	0.0	-64.43	424.52	1.92	-62.51
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536028	1	55	0.0	-64.10	433.84	2.10	-62.00
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024536064	0	53	0.0	-69.13	430.75	2.03	-67.10
C[N@H+]1CCC(=CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024536064	1	53	0.0	-69.56	429.79	2.07	-67.49
C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024536082	0	51	0.0	-65.16	410.01	0.92	-64.24
CC1C[NH+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024536098	1	52	0.0	-66.18	423.14	1.59	-64.59
C[N@H+](CCO)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536111	1	52	0.0	-66.46	419.96	-2.07	-68.53
C[N@@H+](CCO)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536111	1	52	0.0	-66.36	419.75	-2.07	-68.43
CC(CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024536123	0	57	0.0	-67.86	449.06	2.50	-65.36
CC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536125	0	51	0.0	-66.05	409.61	1.17	-64.88
CC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536125	1	51	0.0	-65.96	409.61	1.17	-64.79
CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024536135	0	55	0.0	-63.24	441.08	2.56	-60.68
CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024536135	1	55	0.0	-62.72	436.66	2.26	-60.46
CC[NH+](CC)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536141	0	57	0.0	-66.52	445.48	2.13	-64.39
C[NH+](C)CC=CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536156	0	52	0.0	-68.95	429.10	1.75	-67.20
CC(CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024536173	0	57	0.0	-68.73	445.22	2.23	-66.50
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536177	1	52	0.0	-64.88	423.51	1.47	-63.41
CC[N@H+]1CCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536177	1	52	0.0	-63.82	416.43	1.14	-62.68
C=CCC(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024536198	0	55	0.0	-62.73	435.55	2.00	-60.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300024536206	0	53	0.0	-65.98	426.70	2.33	-63.65
CCCC(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024536211	0	57	0.0	-64.44	447.55	2.84	-61.60
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536213	0	54	0.0	-67.11	419.51	1.59	-65.52
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536223	0	55	0.0	-64.36	424.53	1.92	-62.44
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536223	1	55	0.0	-63.71	424.53	1.92	-61.79
C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024536259	0	52	0.0	-67.21	414.23	2.18	-65.03
O=C(CC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536260	0	55	0.0	-66.73	439.18	2.15	-64.58
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024536270	0	53	0.0	-65.87	423.92	1.69	-64.18
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024536270	1	53	0.0	-64.37	422.64	1.61	-62.76
CC(C[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536305	0	54	0.0	-66.67	430.28	1.76	-64.91
CC(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024536325	1	55	0.0	-64.28	443.25	2.11	-62.17
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536326	1	52	0.0	-65.21	423.20	1.59	-63.62
CC1CC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536326	1	52	0.0	-64.69	423.19	1.59	-63.10
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024536357	0	55	0.0	-67.94	441.62	2.22	-65.72
CC(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536358	0	57	0.0	-67.29	451.92	2.37	-64.92
C[N@@H+]1CCCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536527	0	52	0.0	-62.73	418.41	1.50	-61.23
C[N@H+]1CCCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536527	1	52	0.0	-64.22	411.88	1.05	-63.17
C[N@@H+]1CCOC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024536553	1	53	0.0	-66.13	422.15	0.78	-65.35
C[N@H+]1CCOC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024536553	1	53	0.0	-71.12	429.25	0.95	-70.17
C[N@@H+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024536703	0	55	0.0	-67.47	438.41	2.10	-65.37
C[N@H+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024536703	1	55	0.0	-67.46	438.56	2.12	-65.34
CCC(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024536706	0	54	0.0	-63.33	422.06	1.54	-61.79
C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536716	0	57	0.0	-68.08	457.24	2.63	-65.45
CC(C)C(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024536719	0	57	0.0	-64.94	440.93	2.72	-62.22
CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536720	0	57	0.0	-67.60	453.48	2.44	-65.16
CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536720	1	57	0.0	-67.79	453.48	2.45	-65.34
CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536721	0	54	0.0	-66.51	431.11	1.92	-64.59
CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536721	1	54	0.0	-66.43	431.11	1.92	-64.51
C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024536760	0	55	0.0	-67.18	443.60	2.20	-64.98
CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536766	0	54	0.0	-67.04	431.98	1.70	-65.34
CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536766	1	54	0.0	-67.22	431.98	1.69	-65.53
C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024536788	0	55	0.0	-69.17	436.44	2.17	-67.00
CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024536803	0	57	0.0	-65.31	441.07	2.63	-62.68
C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024536825	0	55	0.0	-62.29	425.96	1.99	-60.30
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536849	0	55	0.0	-63.05	430.55	1.88	-61.17
CC1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536849	1	55	0.0	-63.31	430.58	1.88	-61.43
CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024536860	0	57	0.0	-63.39	439.67	2.19	-61.20
CC1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024536868	0	55	0.0	-65.38	437.23	2.18	-63.20
CC1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024536868	1	55	0.0	-65.57	437.21	2.18	-63.39
CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024536870	0	54	0.0	-63.44	422.53	1.50	-61.94
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536907	1	50	0.0	-63.61	420.28	2.08	-61.53
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536925	1	50	0.0	-65.21	421.64	2.84	-62.37
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024536926	0	55	0.0	-66.60	428.45	1.48	-65.12
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024536926	1	55	0.0	-65.59	434.75	1.74	-63.85
C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024536956	0	55	0.0	-64.87	438.12	2.49	-62.38
C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024536956	1	55	0.0	-64.50	438.00	2.48	-62.02
C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024536962	0	55	0.0	-69.17	436.44	2.17	-67.00
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536975	0	52	0.0	-65.96	411.87	1.05	-64.91
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024536975	1	52	0.0	-63.63	418.16	1.57	-62.06
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537018	0	55	0.0	-64.36	424.53	1.92	-62.44
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537018	1	55	0.0	-63.71	424.53	1.92	-61.79
CC1C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024537047	0	55	0.0	-65.27	432.07	1.65	-63.62
CC1C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024537047	1	55	0.0	-63.82	437.73	2.08	-61.74
C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024537088	0	51	0.0	-64.18	409.99	0.90	-63.28
O=C(CC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537106	0	55	0.0	-66.73	439.18	2.15	-64.58
C[N@H+](CCO)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537111	1	52	0.0	-66.46	419.96	-2.07	-68.53
C[N@@H+](CCO)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537111	1	52	0.0	-66.36	419.75	-2.07	-68.43
CC1C[NH+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024537154	1	52	0.0	-66.18	423.14	1.59	-64.59
CC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537186	0	51	0.0	-66.05	409.61	1.17	-64.88
CC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537186	1	51	0.0	-65.96	409.61	1.17	-64.79
CC(CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024537239	0	57	0.0	-68.73	445.22	2.23	-66.50
CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024537244	0	55	0.0	-63.24	441.08	2.56	-60.68
CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024537244	1	55	0.0	-62.72	436.66	2.26	-60.46
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024537257	0	53	0.0	-65.87	423.92	1.69	-64.18
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024537257	1	53	0.0	-64.37	422.64	1.61	-62.76
CC(C[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537266	0	54	0.0	-66.67	430.28	1.76	-64.91
C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024537272	0	52	0.0	-67.21	414.23	2.18	-65.03
C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024537282	0	51	0.0	-65.16	410.01	0.92	-64.24
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537285	1	52	0.0	-64.88	423.51	1.47	-63.41
CC[N@H+]1CCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537285	1	52	0.0	-63.82	416.43	1.14	-62.68
NC1=CC=[NH+]C=C1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537296	0	48	0.0	-64.28	400.37	-1.02	-65.30
CCCC(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024537300	0	57	0.0	-64.44	447.55	2.84	-61.60
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537303	0	54	0.0	-67.11	419.51	1.59	-65.52
CC(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537312	0	57	0.0	-67.29	451.92	2.37	-64.92
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300024537371	0	53	0.0	-65.98	426.70	2.33	-63.65
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537379	0	55	0.0	-64.36	424.53	1.92	-62.44
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537379	1	55	0.0	-63.71	424.53	1.92	-61.79
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024537404	0	53	0.0	-69.13	430.75	2.03	-67.10
C[N@H+]1CCC(=CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024537404	1	53	0.0	-69.56	429.79	2.07	-67.49
[N-]=[N+]=NCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300024537411	0	42	0.0	-22.09	368.84	-3.89	-25.98
CCC1C[NH+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024537427	1	55	0.0	-67.00	444.33	2.30	-64.70
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537432	0	52	0.0	-62.57	417.56	1.46	-61.11
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537432	1	52	0.0	-64.20	411.88	1.05	-63.15
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024537472	0	55	0.0	-67.94	441.62	2.22	-65.72
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCCC1	REAL300024537513	0	55	0.0	-65.56	433.60	2.37	-63.19
C[N@@H+]1CCCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024537514	0	55	0.0	-62.52	430.21	2.33	-60.19
C[N@H+]1CCCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024537514	1	55	0.0	-61.38	430.19	2.33	-59.05
CN1C=C[N+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024537515	0	50	0.0	-63.89	423.11	4.01	-59.88
C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024537525	0	52	0.0	-63.91	421.14	1.91	-62.00
C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024537525	1	52	0.0	-63.62	421.14	1.91	-61.71
CC(CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024537533	0	57	0.0	-67.86	449.06	2.50	-65.36
C[NH+]1CC(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024537582	0	52	0.0	-66.50	423.30	1.32	-65.18
C[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537589	0	48	0.0	-66.83	391.88	0.50	-66.33
C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024537597	0	51	0.0	-64.18	409.99	0.90	-63.28
CC(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024537611	1	55	0.0	-64.28	443.25	2.11	-62.17
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537612	1	52	0.0	-65.21	423.20	1.59	-63.62
CC1CC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537612	1	52	0.0	-64.69	423.19	1.59	-63.10
C[NH+](C)CC=CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537614	0	52	0.0	-68.95	429.10	1.75	-67.20
CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537631	0	54	0.0	-64.55	423.46	1.58	-62.97
CC[NH+](CC)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537654	0	57	0.0	-66.52	445.48	2.13	-64.39
CC(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024537682	1	52	0.0	-63.57	420.10	1.58	-61.99
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537686	0	57	0.0	-63.07	441.01	2.35	-60.72
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537706	0	55	0.0	-64.43	424.52	1.92	-62.51
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537706	1	55	0.0	-64.10	433.84	2.10	-62.00
C=CCC(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024537725	0	55	0.0	-62.73	435.55	2.00	-60.73
NC(=[NH2+])SCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537748	0	46	0.0	-66.70	399.80	-2.56	-69.26
CCC1C[NH+](CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024537803	1	55	0.0	-67.00	444.33	2.30	-64.70
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537807	0	52	0.0	-62.57	417.56	1.46	-61.11
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024537807	1	52	0.0	-64.20	411.88	1.05	-63.15
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCCC1	REAL300024537814	0	55	0.0	-65.56	433.60	2.37	-63.19
CC1C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024537818	0	55	0.0	-65.27	432.07	1.65	-63.62
CC1C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024537818	1	55	0.0	-63.82	437.73	2.08	-61.74
C[N@@H+]1CCCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538031	0	49	0.0	-68.58	404.11	0.72	-67.86
C[N@H+]1CCCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538031	1	49	0.0	-71.70	398.38	0.31	-71.39
C[N@@H+]1CCOC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024538055	1	50	0.0	-76.36	408.72	0.06	-76.30
C[N@H+]1CCOC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024538055	1	50	0.0	-73.86	408.68	0.06	-73.80
CC(C)[N@@H+]1CCCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538199	0	55	0.0	-67.33	437.35	1.89	-65.44
CC(C)[N@H+]1CCCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538199	1	55	0.0	-68.90	430.80	1.99	-66.91
CC1=[NH+]C=CN1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538222	1	47	0.0	-68.84	407.82	1.36	-67.48
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024538242	0	53	0.0	-75.75	419.71	1.55	-74.20
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024538270	0	52	0.0	-74.77	415.03	0.72	-74.05
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024538270	1	52	0.0	-71.99	420.55	1.25	-70.74
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024538272	0	55	0.0	-72.88	435.42	1.43	-71.45
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024538272	1	55	0.0	-73.09	440.36	1.81	-71.28
CC[N@@H+]1CCOC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024538277	1	53	0.0	-75.39	426.46	0.72	-74.67
CC[N@H+]1CCOC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024538277	1	53	0.0	-79.52	433.58	0.86	-78.66
CC1CCC(C)[NH+]1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538322	0	55	0.0	-67.96	435.55	1.65	-66.31
O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538324	0	55	0.0	-72.96	447.27	2.22	-70.74
O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538327	0	55	0.0	-73.00	442.41	2.19	-70.81
CC[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538330	0	55	0.0	-68.58	428.76	1.85	-66.73
CC[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538330	1	55	0.0	-68.09	428.75	1.85	-66.24
C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024538340	0	52	0.0	-68.06	412.56	1.25	-66.81
CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024538346	0	54	0.0	-70.05	425.84	1.99	-68.06
C[N@H+](CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024538364	0	52	0.0	-69.97	424.64	1.74	-68.23
C[N@@H+](CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024538364	1	52	0.0	-70.13	424.53	1.74	-68.39
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538418	1	51	0.0	-69.16	425.05	1.53	-67.63
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538418	1	51	0.0	-69.62	430.78	2.06	-67.56
C[N@@H+]1CCCC1CCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538423	0	55	0.0	-75.11	445.82	2.27	-72.84
C[N@H+]1CCCC1CCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538423	1	55	0.0	-71.85	440.35	1.79	-70.06
C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024538439	0	52	0.0	-76.41	422.97	1.42	-74.99
C[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538466	0	52	0.0	-69.42	411.05	1.18	-68.24
C[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538466	1	52	0.0	-68.26	420.44	1.35	-66.91
O=C(CC[NH+]1CCOCC1)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538519	1	53	0.0	-76.30	433.72	-0.24	-76.54
CC1=C[NH+]=CN1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538531	1	47	0.0	-71.88	408.17	2.10	-69.78
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1	REAL300024538547	0	53	0.0	-71.91	422.99	1.75	-70.16
C[N@@H+]1CCC(CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024538552	0	52	0.0	-74.40	425.43	1.33	-73.07
C[N@H+]1CCC(CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024538552	1	52	0.0	-74.58	425.07	1.35	-73.23
CCC(C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024538558	0	51	0.0	-68.73	408.64	0.78	-67.95
C[NH+](C)CCCCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538605	0	54	0.0	-74.97	443.81	1.90	-73.07
CC(C)C(C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024538616	0	54	0.0	-70.18	429.34	1.78	-68.40
CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538617	0	54	0.0	-74.16	440.06	1.71	-72.45
CCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538617	1	54	0.0	-74.31	440.01	1.71	-72.60
CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538620	0	51	0.0	-72.03	417.64	1.18	-70.85
CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538620	1	51	0.0	-71.94	417.69	1.16	-70.78
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024538633	0	53	0.0	-73.31	420.14	1.00	-72.31
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024538633	1	53	0.0	-78.97	419.29	1.09	-77.88
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538655	0	49	0.0	-70.52	398.37	0.31	-70.21
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538655	1	49	0.0	-69.17	404.69	0.83	-68.34
CC[NH+](CC)CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538682	0	51	0.0	-70.22	410.03	0.84	-69.38
CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024538735	0	55	0.0	-72.39	441.37	2.25	-70.14
C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024538753	0	52	0.0	-72.39	430.09	1.52	-70.87
C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024538799	0	52	0.0	-76.41	422.97	1.42	-74.99
CC(C)[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024538814	0	54	0.0	-70.81	427.65	1.90	-68.91
CCC(C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024538841	0	57	0.0	-66.14	441.10	1.85	-64.29
CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538871	0	51	0.0	-73.56	418.51	0.98	-72.58
CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538871	1	51	0.0	-73.51	418.56	0.95	-72.56
CC1CCC[N@@H+]1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538894	0	52	0.0	-68.84	424.47	1.41	-67.43
CC1CCC[N@H+]1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538894	1	52	0.0	-69.27	423.34	1.44	-67.83
CC1CC[N@H+](CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024538895	0	52	0.0	-71.38	423.84	1.50	-69.88
CC1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024538895	1	52	0.0	-71.34	423.64	1.50	-69.84
CC1(C)CC[N@H+](CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024538897	0	55	0.0	-71.14	443.35	2.02	-69.12
CC1(C)CC[N@@H+](CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024538897	1	55	0.0	-71.37	443.73	1.99	-69.38
C[N@H+](CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024538898	0	57	0.0	-71.94	446.30	2.16	-69.78
C[N@@H+](CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024538898	1	57	0.0	-71.65	448.55	2.33	-69.32
CC[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024538905	0	51	0.0	-68.90	409.09	0.75	-68.15
C[NH+](C)CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538977	0	45	0.0	-72.36	378.41	-0.24	-72.60
O=C(C[NH+]1CCCCCC1)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024538980	0	55	0.0	-72.02	431.58	2.16	-69.86
CN1C=C[N+](CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024538983	0	47	0.0	-70.22	409.70	3.27	-66.95
C[N@@H+]1CCCC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024538987	0	52	0.0	-66.29	416.75	1.58	-64.71
C[N@H+]1CCCC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024538987	1	52	0.0	-72.56	423.05	1.37	-71.19
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024538992	0	53	0.0	-67.08	435.89	2.29	-64.79
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024538992	1	53	0.0	-70.04	429.06	1.63	-68.41
CC(C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024539004	1	49	0.0	-69.75	406.66	0.85	-68.90
CCC(CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024539008	0	57	0.0	-74.23	449.44	2.24	-71.99
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539013	0	54	0.0	-67.83	425.10	1.45	-66.38
O=C(C[NH+]1CCC(O)CC1)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539024	1	53	0.0	-75.33	431.28	-1.73	-77.06
C[N@H+](CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024539025	0	49	0.0	-69.18	407.68	1.16	-68.02
C[N@@H+](CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024539025	1	49	0.0	-69.66	407.83	1.17	-68.49
C[NH+]1CC(CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539039	0	49	0.0	-72.92	409.84	0.58	-72.34
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539049	0	55	0.0	-68.16	440.42	1.52	-66.64
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539049	1	55	0.0	-68.56	440.39	1.52	-67.04
C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024539059	0	48	0.0	-70.18	396.56	0.15	-70.03
[N-]=[N+]=NCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024539066	0	39	0.0	-24.43	355.41	-4.65	-29.08
[NH2+]=C1SC=CN1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539108	0	45	0.0	-68.80	405.50	-0.06	-68.86
C[N@H+](CCO)CCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539113	0	52	0.0	-73.60	428.85	-2.25	-75.85
C[N@@H+](CCO)CCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539113	1	52	0.0	-73.19	428.84	-2.26	-75.45
C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024539114	0	48	0.0	-70.18	396.56	0.15	-70.03
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539117	0	52	0.0	-69.43	411.06	1.18	-68.25
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539117	1	52	0.0	-68.29	420.42	1.34	-66.95
O=C(C[NH+]1CCC1)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539162	1	46	0.0	-72.01	388.71	0.27	-71.74
C[N@@H+]1CCC(=CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539176	0	50	0.0	-75.92	416.31	1.33	-74.59
C[N@H+]1CCC(=CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539176	1	50	0.0	-75.63	417.27	1.31	-74.32
C[NH+](C)CCOCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539196	0	52	0.0	-72.41	434.33	0.81	-71.60
C=CCC(C)(C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024539207	0	55	0.0	-75.14	433.14	2.01	-73.13
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539224	0	53	0.0	-76.21	426.04	-1.79	-78.00
CC1CN(CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539241	0	49	0.0	-72.05	409.68	0.85	-71.20
CC1C[NH+](CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539241	1	49	0.0	-72.05	409.68	0.85	-71.20
CN(CCO)CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539258	0	49	0.0	-72.39	406.49	-2.81	-75.20
C[N@H+](CCO)CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539258	1	49	0.0	-72.18	406.27	-2.81	-74.99
C[N@@H+](CCO)CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539258	1	49	0.0	-72.18	406.27	-2.81	-74.99
CC[N@@H+]1CCCC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539277	0	55	0.0	-65.86	434.41	2.24	-63.62
CC[N@H+]1CCCC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539277	1	55	0.0	-65.86	434.41	2.24	-63.62
CC(CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024539279	0	54	0.0	-74.27	435.60	1.76	-72.51
CC[N@H+](C)CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539282	0	48	0.0	-71.64	396.15	0.42	-71.22
CC[N@H+](CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024539306	0	52	0.0	-69.07	424.84	1.72	-67.35
CC[NH+](CC)CCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539314	0	54	0.0	-72.60	436.35	1.67	-70.93
CC1(C)CN(CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539328	0	52	0.0	-72.07	428.83	1.33	-70.74
CC1(C)C[NH+](CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539328	1	52	0.0	-72.07	428.83	1.33	-70.74
CC1(O)CC[N@H+](CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539344	0	53	0.0	-72.53	434.83	-1.84	-74.37
C[NH+](C)CC=CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539347	0	49	0.0	-76.22	415.64	1.01	-75.21
COCCN(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539360	0	52	0.0	-71.83	428.58	-0.40	-72.23
COCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539360	1	52	0.0	-72.58	428.74	-0.41	-72.99
COCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539360	1	52	0.0	-72.58	428.74	-0.41	-72.99
C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024539377	0	55	0.0	-67.34	426.54	2.08	-65.26
CC(CCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024539379	0	54	0.0	-75.02	431.85	1.49	-73.53
CCN1CCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539385	0	49	0.0	-71.14	410.06	0.73	-70.41
CC[N@@H+]1CCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539385	1	49	0.0	-69.97	403.03	0.42	-69.55
CC[N@H+]1CCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539385	1	49	0.0	-69.97	403.03	0.42	-69.55
O=C(C[N@H+]1CCCC1CO)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539395	0	53	0.0	-70.68	432.51	-1.77	-72.45
C[NH+]1CCC(C)(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024539411	0	55	0.0	-72.16	435.67	1.83	-70.33
C=CCC(C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024539427	0	52	0.0	-69.00	422.13	1.23	-67.77
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539434	0	55	0.0	-68.74	444.41	1.89	-66.85
C[N@H+]1CC(C)(C)CC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539434	1	55	0.0	-68.74	444.41	1.89	-66.85
C[NH+](C)CCCCCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539436	0	57	0.0	-74.42	465.33	2.66	-71.76
CCCC(C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024539453	0	54	0.0	-69.83	430.32	1.54	-68.29
C[NH+](C)C(C)(C)C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539456	0	51	0.0	-73.76	406.11	0.84	-72.92
C[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539479	0	52	0.0	-68.26	420.44	1.35	-66.91
C[N@H+]1CC=C(CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024539498	0	53	0.0	-70.62	437.59	2.09	-68.53
C[N@@H+]1CC=C(CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024539498	1	53	0.0	-70.62	437.59	2.09	-68.53
O=C(C=CC[NH+]1CCCC1)NC[C@@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539528	0	53	0.0	-75.33	439.38	2.10	-73.23
O=C(CC[NH+]1CCCC1)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539555	0	52	0.0	-73.01	426.80	1.49	-71.52
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024539576	0	52	0.0	-78.93	414.74	-1.76	-80.69
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024539580	0	50	0.0	-73.50	409.24	0.87	-72.63
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024539585	0	53	0.0	-69.14	422.51	1.67	-67.47
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024539585	1	53	0.0	-69.14	422.51	1.67	-67.47
O=C(CN1CC2C=CC1C2)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539620	0	51	0.0	-70.15	417.67	1.74	-68.41
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539620	1	51	0.0	-68.83	417.23	1.62	-67.21
O=C(C[N@H+]1CC2C=CC1C2)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539620	1	51	0.0	-68.83	417.23	1.62	-67.21
CC(C[NH+](C)C)C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539650	0	51	0.0	-73.16	416.87	1.04	-72.12
C[N@@H+]1CCCCC1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539689	0	55	0.0	-74.08	437.72	1.95	-72.13
C[N@H+]1CCCCC1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539689	1	55	0.0	-74.08	437.72	1.95	-72.13
CC(C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300024539698	0	52	0.0	-69.32	425.93	1.47	-67.85
CC(C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024539698	1	52	0.0	-69.32	425.93	1.47	-67.85
CC1CCN1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539700	0	49	0.0	-70.66	409.81	0.85	-69.81
CC1CC[N@@H+]1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539700	1	49	0.0	-69.82	404.19	0.57	-69.25
CC1CC[N@H+]1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539700	1	49	0.0	-69.82	404.19	0.57	-69.25
C[NH+](C)CC(O)CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539702	0	52	0.0	-77.25	431.11	-1.24	-78.49
CC1CN(C)CC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024539719	0	53	0.0	-83.61	429.72	0.52	-83.09
CC1C[N@H+](C)CC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024539719	1	53	0.0	-83.64	429.77	0.52	-83.12
CC1C[N@@H+](C)CC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024539719	1	53	0.0	-83.64	429.77	0.52	-83.12
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539757	0	52	0.0	-73.71	427.97	1.49	-72.22
CC(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539761	0	54	0.0	-73.88	438.45	1.65	-72.23
CN1CCN(CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024539776	0	54	0.0	-72.58	437.43	-0.75	-73.33
C[NH+]1CCN(CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024539776	1	54	0.0	-72.58	437.43	-0.75	-73.33
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024539946	0	49	0.0	-71.31	398.44	0.31	-71.00
CN1CCOC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539972	0	50	0.0	-82.37	415.87	0.20	-82.17
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539972	1	50	0.0	-81.46	415.77	0.22	-81.24
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024539972	1	50	0.0	-81.46	415.77	0.22	-81.24
O=C(CCN1CCOCC1)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540120	0	53	0.0	-76.11	433.69	-0.24	-76.35
O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540120	1	53	0.0	-76.11	433.69	-0.24	-76.35
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024540128	0	53	0.0	-70.74	420.94	1.55	-69.19
C[N@@H+]1CCC(CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024540151	0	52	0.0	-73.68	425.21	1.33	-72.35
C[N@H+]1CCC(CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024540151	1	52	0.0	-74.20	424.73	1.36	-72.84
CCC(C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024540157	0	51	0.0	-68.87	408.92	0.74	-68.13
C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540189	0	54	0.0	-74.75	443.77	1.90	-72.85
CC(C)C(C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024540202	0	54	0.0	-70.06	426.72	1.98	-68.08
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540203	0	54	0.0	-73.99	440.01	1.71	-72.28
CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540203	1	54	0.0	-74.00	440.05	1.72	-72.28
CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540206	0	51	0.0	-71.80	417.64	1.18	-70.62
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540206	1	51	0.0	-71.80	417.64	1.18	-70.62
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024540219	0	53	0.0	-73.05	420.27	1.01	-72.04
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024540219	1	53	0.0	-78.97	419.29	1.09	-77.88
CC1CC[NH+](CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024540244	0	55	0.0	-72.04	440.99	2.24	-69.80
C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024540281	0	52	0.0	-68.83	429.07	1.60	-67.23
CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540298	0	51	0.0	-73.34	418.50	0.97	-72.37
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540298	1	51	0.0	-73.34	418.50	0.97	-72.37
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024540310	0	53	0.0	-75.82	419.64	1.56	-74.26
C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024540348	0	52	0.0	-75.50	422.96	1.43	-74.07
CC(C)[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024540363	0	54	0.0	-69.73	425.23	1.58	-68.15
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024540426	0	52	0.0	-67.52	412.63	1.25	-66.27
CCC(C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024540453	0	57	0.0	-65.52	444.23	2.12	-63.40
CC1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540462	0	52	0.0	-68.43	417.08	1.13	-67.30
CC1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540462	1	52	0.0	-69.03	423.74	1.55	-67.48
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540489	0	55	0.0	-67.13	437.30	1.89	-65.24
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540489	1	55	0.0	-68.57	429.48	1.89	-66.68
CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024540496	0	54	0.0	-70.43	427.34	1.83	-68.60
CC1CC[N@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024540506	0	52	0.0	-70.61	424.67	1.41	-69.20
CC1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024540506	1	52	0.0	-71.09	424.48	1.51	-69.58
CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024540508	0	55	0.0	-71.16	443.64	2.00	-69.16
CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024540508	1	55	0.0	-71.14	443.98	2.01	-69.13
C[N@H+](CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024540509	0	57	0.0	-71.54	448.05	2.26	-69.28
C[N@@H+](CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024540509	1	57	0.0	-71.51	448.55	2.33	-69.18
CC[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024540516	0	51	0.0	-70.51	411.10	0.91	-69.60
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540596	1	47	0.0	-68.84	407.80	1.36	-67.48
CC[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024540639	1	53	0.0	-80.64	433.57	0.85	-79.79
CC[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024540639	1	53	0.0	-79.62	433.57	0.87	-78.75
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540659	1	47	0.0	-71.60	407.15	2.07	-69.53
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024540664	0	52	0.0	-75.49	415.01	0.74	-74.75
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024540664	1	52	0.0	-72.76	420.47	1.26	-71.50
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024540666	0	55	0.0	-72.53	435.38	1.43	-71.10
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024540666	1	55	0.0	-71.97	444.25	2.01	-69.96
CC1CCC(C)[NH+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540671	0	55	0.0	-69.45	426.11	1.37	-68.08
O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540673	0	55	0.0	-72.79	448.30	2.29	-70.50
O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540677	0	55	0.0	-72.78	442.42	2.19	-70.59
CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540680	0	55	0.0	-67.74	428.76	1.84	-65.90
CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540680	1	55	0.0	-66.97	438.19	2.01	-64.96
C[N@H+](CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024540760	0	52	0.0	-69.69	424.63	1.74	-67.95
C[N@@H+](CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024540760	1	52	0.0	-69.78	424.65	1.75	-68.03
C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024540784	0	52	0.0	-75.50	422.96	1.43	-74.07
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540806	0	49	0.0	-71.22	398.42	0.30	-70.92
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540806	1	49	0.0	-68.90	404.69	0.82	-68.08
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540823	1	51	0.0	-69.68	425.01	1.51	-68.17
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540823	1	51	0.0	-69.04	430.94	2.04	-67.00
C[N@@H+]1CCCC1CCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540828	0	55	0.0	-71.82	440.30	1.79	-70.03
C[N@H+]1CCCC1CCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540828	1	55	0.0	-74.38	442.01	2.12	-72.26
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540891	0	52	0.0	-69.12	411.05	1.19	-67.93
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540891	1	52	0.0	-69.09	411.07	1.19	-67.90
CC1C(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024540940	0	52	0.0	-72.62	415.95	0.98	-71.64
CC1C(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024540940	1	52	0.0	-71.19	419.59	0.96	-70.23
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540990	0	55	0.0	-68.36	439.88	1.46	-66.90
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024540990	1	55	0.0	-67.94	439.92	1.50	-66.44
C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024541003	0	48	0.0	-70.45	396.51	0.16	-70.29
C=CCC(C)(C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024541015	0	55	0.0	-65.42	433.98	1.77	-63.65
O=C(CC[NH+]1CCCC1)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541027	0	52	0.0	-72.74	426.15	1.44	-71.30
C[N@H+](CCO)CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541035	1	49	0.0	-72.36	406.49	-2.81	-75.17
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541035	1	49	0.0	-72.11	406.29	-2.80	-74.91
C[N@H+]1CC=C(CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024541081	0	53	0.0	-71.67	437.56	2.09	-69.58
C[N@@H+]1CC=C(CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024541081	1	53	0.0	-70.16	437.56	2.08	-68.08
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541099	0	53	0.0	-76.13	426.32	-1.90	-78.03
C[N@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541099	1	53	0.0	-78.52	425.75	-1.77	-80.29
CC1C[NH+](CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024541125	1	49	0.0	-72.07	408.31	0.87	-71.20
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024541131	0	55	0.0	-65.48	434.40	2.25	-63.23
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024541131	1	55	0.0	-65.96	434.45	2.24	-63.72
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024541142	0	53	0.0	-66.37	434.33	2.28	-64.09
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024541142	1	53	0.0	-66.56	430.95	2.12	-64.44
O=C(C=CC[NH+]1CCCC1)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541163	0	53	0.0	-74.65	439.38	2.10	-72.55
CC[N@H+](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541200	0	48	0.0	-71.30	396.20	0.41	-70.89
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)CN2CC3C=CC2C3)C1	REAL300024541229	0	51	0.0	-69.86	417.78	1.74	-68.12
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024541229	1	51	0.0	-68.46	417.44	1.62	-66.84
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024541229	1	51	0.0	-68.46	417.44	1.62	-66.84
COCCN(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541304	0	52	0.0	-71.94	428.59	-0.41	-72.35
COCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541304	1	52	0.0	-72.33	428.75	-0.41	-72.74
COCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541304	1	52	0.0	-72.33	428.75	-0.41	-72.74
CC(CCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024541307	0	54	0.0	-74.72	431.81	1.49	-73.23
CC[N@H+](CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024541320	0	52	0.0	-70.00	419.81	1.66	-68.34
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024541345	0	50	0.0	-73.48	409.36	0.86	-72.62
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024541352	0	53	0.0	-69.80	425.00	1.87	-67.93
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024541352	1	53	0.0	-69.80	425.00	1.87	-67.93
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541365	0	51	0.0	-67.95	416.61	1.12	-66.83
CCN1CCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541393	0	49	0.0	-69.71	401.73	0.31	-69.40
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541393	1	49	0.0	-70.81	410.06	0.74	-70.07
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541393	1	49	0.0	-70.81	410.06	0.74	-70.07
CCC(C)(C)[NH2+]C(C)C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541399	0	57	0.0	-68.27	443.79	0.35	-67.92
CCCC(C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024541429	0	54	0.0	-70.37	433.44	1.71	-68.66
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541433	0	51	0.0	-74.24	405.55	0.96	-73.28
CC(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541446	0	54	0.0	-73.31	438.45	1.65	-71.66
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541494	0	55	0.0	-69.72	438.75	1.36	-68.36
C[N@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541494	1	55	0.0	-69.72	438.75	1.36	-68.36
C[NH+](C)CCCCCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541496	0	57	0.0	-74.23	465.28	2.67	-71.56
CN1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024541503	0	54	0.0	-73.26	437.87	-0.72	-73.98
C[NH+]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024541503	1	54	0.0	-73.26	437.87	-0.72	-73.98
CC1CN(C)CC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024541544	0	53	0.0	-80.60	430.25	0.92	-79.68
CC1C[N@H+](C)CC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024541544	1	53	0.0	-81.75	430.33	0.91	-80.84
CC1C[N@@H+](C)CC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024541544	1	53	0.0	-81.75	430.33	0.91	-80.84
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541588	0	52	0.0	-69.09	411.07	1.19	-67.90
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024541646	0	50	0.0	-75.67	416.32	1.35	-74.32
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024541646	1	50	0.0	-75.67	416.32	1.35	-74.32
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024541648	0	48	0.0	-71.76	414.18	-0.97	-72.73
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024541698	0	55	0.0	-74.95	428.51	2.11	-72.84
CCC1CN(CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024541705	0	52	0.0	-72.61	431.01	1.66	-70.95
CCC1C[NH+](CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024541705	1	52	0.0	-72.61	431.01	1.66	-70.95
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541714	0	49	0.0	-71.25	398.41	0.30	-70.95
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024541792	0	52	0.0	-73.34	427.96	1.49	-71.85
C[NH+](C)CCC1(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024541800	0	55	0.0	-76.01	452.70	2.20	-73.81
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541801	0	53	0.0	-74.58	429.60	1.82	-72.76
C[N@H+]1CC=CCC1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541801	1	53	0.0	-74.58	429.60	1.82	-72.76
C[NH+](C)CCOCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541829	0	52	0.0	-72.11	434.28	0.82	-71.29
[NH2+]=C1SC=CN1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541853	0	45	0.0	-68.45	405.48	-0.06	-68.51
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C[NH+]2CCCCC2)C1	REAL300024541908	0	52	0.0	-71.15	420.14	1.63	-69.52
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024541909	0	52	0.0	-66.45	416.79	1.59	-64.86
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024541909	1	52	0.0	-65.90	416.72	1.59	-64.31
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C[NH+]2CCCCCC2)C1	REAL300024541910	0	55	0.0	-70.91	429.40	1.80	-69.11
CN1C=C[N+](CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024541913	0	47	0.0	-69.42	409.64	3.27	-66.15
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(O)CC2)C1	REAL300024541932	1	53	0.0	-75.99	431.24	-1.72	-77.71
C[N@@H+](CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024541933	1	49	0.0	-69.33	407.87	1.17	-68.16
CCOCC(N=[N+]=[N-])C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024541948	0	49	0.0	-24.30	431.59	-3.96	-28.26
CC(CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024541951	0	54	0.0	-73.98	435.61	1.76	-72.22
CN1CCOCC1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541968	0	53	0.0	-77.73	429.09	-0.42	-78.15
C[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541968	1	53	0.0	-68.22	421.54	-0.56	-68.78
C[N@H+]1CCOCC1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024541968	1	53	0.0	-77.73	429.09	-0.42	-78.15
CC1(O)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024542029	1	53	0.0	-70.85	434.28	-1.84	-72.69
C[NH+]1CC(CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024542050	0	49	0.0	-73.28	409.71	0.58	-72.70
C[NH+](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542059	0	45	0.0	-72.10	378.42	-0.24	-72.34
C[N@H+](CCO)CCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542073	0	52	0.0	-73.27	428.86	-2.25	-75.52
C[N@@H+](CCO)CCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542073	1	52	0.0	-72.68	428.85	-2.25	-74.93
C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024542074	0	48	0.0	-70.45	396.51	0.16	-70.29
C[N@@H+]1CCCCC1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542088	0	55	0.0	-73.89	437.68	1.94	-71.95
C[N@H+]1CCCCC1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542088	1	55	0.0	-65.17	430.16	1.81	-63.36
CC(C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024542098	0	52	0.0	-69.36	426.43	1.49	-67.87
CC1CCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542100	0	49	0.0	-69.44	404.71	0.65	-68.79
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542100	1	49	0.0	-70.61	409.78	0.84	-69.77
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542100	1	49	0.0	-69.44	404.71	0.65	-68.79
C[NH+](C)CC=CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542106	0	49	0.0	-76.40	414.37	0.98	-75.42
CC1(C)C[NH+](CC(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024542111	1	52	0.0	-71.95	428.80	1.33	-70.62
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C[N@@H+]2CCCC2CO)C1	REAL300024542145	1	53	0.0	-70.99	431.42	-1.68	-72.67
CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542147	0	51	0.0	-70.10	414.54	1.12	-68.98
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C[NH+]2CCC2)C1	REAL300024542156	1	46	0.0	-71.80	388.52	0.18	-71.62
CC[NH+](CC)CCC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542184	0	54	0.0	-72.81	432.01	1.40	-71.41
CC(C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024542234	1	49	0.0	-69.31	406.34	0.85	-68.46
CCC(CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024542239	0	57	0.0	-74.36	449.98	2.22	-72.14
C[NH+](C)CC(C)(C)C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542244	0	54	0.0	-72.08	427.55	1.48	-70.60
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542273	0	52	0.0	-69.56	411.06	1.19	-68.37
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542273	1	52	0.0	-68.89	420.43	1.37	-67.52
C[NH+](C)CC(O)CC(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542292	0	52	0.0	-76.90	430.89	-1.21	-78.11
C=CCC(C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024542312	0	52	0.0	-68.53	421.47	1.21	-67.32
C[NH+]1CCC(C)(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024542323	0	55	0.0	-69.86	435.67	1.84	-68.02
NC(=[NH2+])SCC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542344	0	43	0.0	-73.90	386.33	-3.29	-77.19
C[NH+](C)CCC1(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024542367	0	55	0.0	-76.85	453.68	2.33	-74.52
C[N@@H+]1CC=CCC1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542368	0	53	0.0	-66.12	424.64	1.75	-64.37
C[N@H+]1CC=CCC1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542368	1	53	0.0	-67.01	424.64	1.75	-65.26
CCC1CN(CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024542449	0	52	0.0	-72.98	431.05	1.61	-71.37
CCC1C[NH+](CC(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024542449	1	52	0.0	-72.98	431.05	1.61	-71.37
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542454	0	49	0.0	-70.61	398.45	0.32	-70.29
CC1C(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024542476	0	52	0.0	-73.81	416.10	0.95	-72.86
CC1C(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024542476	1	52	0.0	-73.81	416.10	0.95	-72.86
CN1CCOCC1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542504	0	53	0.0	-69.70	421.59	-0.57	-70.27
C[N@@H+]1CCOCC1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542504	1	53	0.0	-78.00	429.05	-0.43	-78.43
C[N@H+]1CCOCC1CC(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542504	1	53	0.0	-78.00	429.05	-0.43	-78.43
C[N@@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542716	0	49	0.0	-71.13	398.29	0.35	-70.78
CN1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024542740	0	50	0.0	-76.02	408.52	0.10	-75.92
C[N@@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024542740	1	50	0.0	-75.92	408.59	0.10	-75.82
C[N@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024542740	1	50	0.0	-75.92	408.59	0.10	-75.82
CC(C)[N@@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542884	0	55	0.0	-68.48	430.85	2.05	-66.43
CC(C)[N@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542884	1	55	0.0	-68.48	430.85	2.05	-66.43
CC1=NC=CN1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542907	0	47	0.0	-68.96	407.73	1.41	-67.55
CC1=[NH+]C=CN1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024542907	1	47	0.0	-68.96	407.73	1.41	-67.55
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024542927	0	53	0.0	-77.00	419.45	1.60	-75.40
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024542955	0	52	0.0	-71.62	420.44	1.30	-70.32
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024542955	1	52	0.0	-71.62	420.44	1.30	-70.32
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024542957	0	55	0.0	-71.89	440.45	1.81	-70.08
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024542957	1	55	0.0	-71.89	440.45	1.81	-70.08
CCN1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024542962	0	53	0.0	-79.99	433.47	0.91	-79.08
CC[N@@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024542962	1	53	0.0	-72.65	426.40	0.75	-71.90
CC[N@H+]1CCOC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024542962	1	53	0.0	-72.65	426.40	0.75	-71.90
CC1CCC(C)[NH+]1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543007	0	55	0.0	-68.27	437.74	1.84	-66.43
O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543009	0	55	0.0	-72.54	447.42	2.27	-70.27
O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543012	0	55	0.0	-72.56	442.27	2.23	-70.33
CC[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543015	0	55	0.0	-67.78	428.61	1.89	-65.89
CC[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543015	1	55	0.0	-67.78	428.61	1.89	-65.89
C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024543025	0	52	0.0	-73.29	412.46	0.97	-72.32
CC(C)[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024543031	0	54	0.0	-69.84	428.75	1.94	-67.90
C[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024543049	0	52	0.0	-69.86	424.50	1.79	-68.07
C[N@@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024543049	1	52	0.0	-69.86	424.50	1.79	-68.07
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543103	0	51	0.0	-69.50	424.99	1.56	-67.94
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543103	1	51	0.0	-69.37	430.65	2.10	-67.27
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543103	1	51	0.0	-69.37	430.65	2.10	-67.27
C[N@@H+]1CCCC1CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543108	0	55	0.0	-74.48	441.86	2.16	-72.32
C[N@H+]1CCCC1CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543108	1	55	0.0	-74.48	441.86	2.16	-72.32
C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024543124	0	52	0.0	-75.77	422.85	1.47	-74.30
C[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543151	0	52	0.0	-68.19	420.23	1.39	-66.80
C[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543151	1	52	0.0	-68.20	420.24	1.39	-66.81
O=C(CC[NH+]1CCOCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543204	1	53	0.0	-75.82	433.60	-0.19	-76.01
CC1=C[NH+]=CN1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543216	1	47	0.0	-71.55	408.03	2.14	-69.41
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1	REAL300024543232	0	53	0.0	-71.33	422.86	1.80	-69.53
C[N@@H+]1CCC(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543237	0	52	0.0	-73.57	425.15	1.37	-72.20
C[N@H+]1CCC(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543237	1	52	0.0	-74.05	424.80	1.40	-72.65
CCC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024543243	0	51	0.0	-68.56	408.46	0.84	-67.72
C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543290	0	54	0.0	-74.56	443.67	1.94	-72.62
CC(C)C(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024543301	0	54	0.0	-70.09	427.38	2.06	-68.03
CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543302	0	54	0.0	-73.84	439.89	1.76	-72.08
CCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543302	1	54	0.0	-73.81	439.90	1.77	-72.04
CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543305	0	51	0.0	-71.56	417.58	1.22	-70.34
CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543305	1	51	0.0	-71.61	417.50	1.21	-70.40
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024543318	0	53	0.0	-72.73	419.92	1.01	-71.72
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024543318	1	53	0.0	-72.79	420.31	1.00	-71.79
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543340	0	49	0.0	-70.28	398.26	0.36	-69.92
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543340	1	49	0.0	-68.82	404.54	0.87	-67.95
CC[NH+](CC)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543367	0	51	0.0	-69.90	409.88	0.88	-69.02
CC1CC[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024543420	0	55	0.0	-71.78	440.85	2.29	-69.49
C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024543438	0	52	0.0	-72.12	428.91	1.51	-70.61
C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024543484	0	52	0.0	-75.77	422.85	1.47	-74.30
CC(C)[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024543499	0	54	0.0	-69.52	427.72	2.04	-67.48
CCC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024543526	0	57	0.0	-65.41	441.55	2.26	-63.15
CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543556	0	51	0.0	-73.02	418.45	1.02	-72.00
CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543556	1	51	0.0	-73.00	418.42	1.01	-71.99
CC1CCC[N@@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543579	0	52	0.0	-68.49	424.32	1.46	-67.03
CC1CCC[N@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543579	1	52	0.0	-68.32	416.95	1.18	-67.14
CC1CC[N@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543580	0	52	0.0	-70.59	424.53	1.44	-69.15
CC1CC[N@@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543580	1	52	0.0	-70.92	424.14	1.56	-69.36
CC1(C)CC[N@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543582	0	55	0.0	-70.68	443.37	2.06	-68.62
CC1(C)CC[N@@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543582	1	55	0.0	-70.86	443.62	2.03	-68.83
C[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024543583	0	57	0.0	-71.61	446.09	2.21	-69.40
C[N@@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024543583	1	57	0.0	-71.32	448.06	2.35	-68.97
CC[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024543590	0	51	0.0	-68.74	408.75	0.80	-67.94
C[NH+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543662	0	45	0.0	-72.02	378.27	-0.20	-72.22
O=C(C[NH+]1CCCCCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543665	0	55	0.0	-70.85	429.37	1.86	-68.99
CN1C=C[N+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024543668	0	47	0.0	-69.73	409.51	3.31	-66.42
C[N@@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543672	0	52	0.0	-66.08	416.61	1.63	-64.45
C[N@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543672	1	52	0.0	-66.13	416.65	1.63	-64.50
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024543677	0	53	0.0	-66.69	435.58	2.32	-64.37
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024543677	1	53	0.0	-66.09	430.57	2.15	-63.94
CC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024543689	1	49	0.0	-69.12	405.91	0.88	-68.24
CCC(CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024543693	0	57	0.0	-76.23	453.10	2.42	-73.81
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543698	0	54	0.0	-71.84	428.12	1.54	-70.30
O=C(C[NH+]1CCC(O)CC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543709	1	53	0.0	-75.88	431.47	-1.68	-77.56
C[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024543710	0	49	0.0	-69.31	407.68	1.21	-68.10
C[N@@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024543710	1	49	0.0	-69.31	407.68	1.21	-68.10
C[NH+]1CC(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543724	0	49	0.0	-72.60	409.73	0.63	-71.97
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543734	0	55	0.0	-69.50	422.29	1.34	-68.16
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543734	1	55	0.0	-68.57	423.59	0.95	-67.62
C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024543744	0	48	0.0	-70.36	396.50	0.21	-70.15
[N-]=[N+]=NCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024543751	0	39	0.0	-25.03	355.23	-4.60	-29.63
[NH2+]=C1SC=CN1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543793	0	45	0.0	-68.53	405.34	-0.02	-68.55
C[N@H+](CCO)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543798	0	52	0.0	-73.00	428.79	-2.20	-75.20
C[N@@H+](CCO)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543798	1	52	0.0	-72.64	428.72	-2.22	-74.86
C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024543799	0	48	0.0	-70.36	396.50	0.21	-70.15
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543802	0	52	0.0	-69.19	410.91	1.22	-67.97
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543802	1	52	0.0	-68.83	420.24	1.40	-67.43
O=C(C[NH+]1CCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543847	1	46	0.0	-71.79	388.57	0.28	-71.51
C[N@@H+]1CCC(=CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543861	0	50	0.0	-75.57	416.17	1.36	-74.21
C[N@H+]1CCC(=CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543861	1	50	0.0	-75.49	416.22	1.39	-74.10
C[NH+](C)CCOCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543881	0	52	0.0	-72.72	434.13	0.87	-71.85
C=CCC(C)(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024543892	0	55	0.0	-66.83	433.65	1.86	-64.97
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543909	0	53	0.0	-75.61	424.74	-2.00	-77.61
CC1CN(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543926	0	49	0.0	-71.60	409.61	0.89	-70.71
CC1C[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543926	1	49	0.0	-71.60	409.61	0.89	-70.71
CN(CCO)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543943	0	49	0.0	-71.91	406.42	-2.77	-74.68
C[N@H+](CCO)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543943	1	49	0.0	-72.02	406.13	-2.77	-74.79
C[N@@H+](CCO)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543943	1	49	0.0	-72.02	406.13	-2.77	-74.79
CC[N@@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543962	0	55	0.0	-65.63	434.25	2.28	-63.35
CC[N@H+]1CCCC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024543962	1	55	0.0	-65.63	434.25	2.28	-63.35
CC(CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024543964	0	54	0.0	-73.83	435.45	1.80	-72.03
CC[N@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543967	0	48	0.0	-71.25	396.00	0.46	-70.79
CC[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024543991	0	52	0.0	-68.05	423.26	1.56	-66.49
CC[NH+](CC)CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024543999	0	54	0.0	-72.44	431.87	1.44	-71.00
CC1(C)CN(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024544013	0	52	0.0	-71.66	428.72	1.38	-70.28
CC1(C)C[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024544013	1	52	0.0	-71.66	428.72	1.38	-70.28
CC1(O)CC[N@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024544029	0	53	0.0	-71.71	434.86	-1.78	-73.49
C[NH+](C)CC=CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544032	0	49	0.0	-75.88	415.50	1.05	-74.83
COCCN(C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544045	0	52	0.0	-71.59	428.45	-0.38	-71.97
COCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544045	1	52	0.0	-72.52	428.61	-0.37	-72.89
COCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544045	1	52	0.0	-72.52	428.61	-0.37	-72.89
C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024544062	0	55	0.0	-72.82	430.64	2.27	-70.55
CC(CCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024544064	0	54	0.0	-74.72	431.99	1.53	-73.19
CCN1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544070	0	49	0.0	-70.70	409.94	0.78	-69.92
CC[N@@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544070	1	49	0.0	-69.56	402.85	0.46	-69.10
CC[N@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544070	1	49	0.0	-69.56	402.85	0.46	-69.10
O=C(C[N@H+]1CCCC1CO)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544080	0	53	0.0	-68.16	424.10	-1.65	-69.81
C[NH+]1CCC(C)(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024544096	0	55	0.0	-69.99	435.57	1.90	-68.09
C=CCC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024544112	0	52	0.0	-68.56	421.99	1.28	-67.28
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544119	0	55	0.0	-69.69	438.63	1.42	-68.27
C[N@H+]1CC(C)(C)CC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544119	1	55	0.0	-69.69	438.63	1.42	-68.27
C[NH+](C)CCCCCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544121	0	57	0.0	-74.14	465.18	2.73	-71.41
CCCC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024544138	0	54	0.0	-70.25	430.18	1.58	-68.67
C[NH+](C)C(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544141	0	51	0.0	-74.37	405.98	0.92	-73.45
C[N@@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544164	0	52	0.0	-68.19	420.23	1.39	-66.80
C[N@H+]1CCCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544164	1	52	0.0	-68.20	420.24	1.39	-66.81
C[N@H+]1CC=C(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024544183	0	53	0.0	-71.96	437.40	2.13	-69.83
C[N@@H+]1CC=C(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024544183	1	53	0.0	-70.53	437.41	2.13	-68.40
O=C(C=CC[NH+]1CCCC1)NC[C@@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544213	0	53	0.0	-74.43	439.56	2.16	-72.27
C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024544239	0	49	0.0	-74.07	399.19	1.23	-72.84
O=C(CC[NH+]1CCCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544240	0	52	0.0	-72.75	425.58	1.46	-71.29
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024544261	0	52	0.0	-78.21	414.60	-1.74	-79.95
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024544265	0	50	0.0	-72.73	410.33	0.99	-71.74
C[N@H+]1CC2CC1(C(=O)NC[C@H]1C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024544265	1	50	0.0	-72.75	409.11	0.93	-71.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024544270	0	53	0.0	-68.98	422.51	1.71	-67.27
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024544270	1	53	0.0	-68.85	422.43	1.71	-67.14
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544305	1	51	0.0	-69.65	417.43	1.76	-67.89
O=C(C[N@H+]1CC2C=CC1C2)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544305	1	51	0.0	-69.58	417.43	1.76	-67.82
CC(C[NH+](C)C)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544335	0	51	0.0	-72.97	416.68	1.08	-71.89
C[N@@H+]1CCCCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544374	0	55	0.0	-73.57	437.47	1.99	-71.58
C[N@H+]1CCCCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544374	1	55	0.0	-65.43	430.02	1.85	-63.58
CC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024544383	1	52	0.0	-68.96	426.46	1.55	-67.41
CC1CC[N@@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544385	1	49	0.0	-70.52	409.59	0.89	-69.63
CC1CC[N@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544385	1	49	0.0	-70.53	409.61	0.88	-69.65
C[NH+](C)CC(O)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544387	0	52	0.0	-76.60	430.97	-1.19	-77.79
CC1C[N@H+](C)CC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024544404	1	53	0.0	-79.79	430.10	0.96	-78.83
CC1C[N@@H+](C)CC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024544404	1	53	0.0	-82.68	429.69	0.55	-82.13
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024544442	0	52	0.0	-73.01	427.89	1.53	-71.48
CC(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544446	0	54	0.0	-73.29	438.32	1.71	-71.58
C[NH+]1CCN(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024544461	1	54	0.0	-72.49	437.35	-0.69	-73.18
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544631	0	49	0.0	-72.20	398.22	0.35	-71.85
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544631	1	49	0.0	-70.23	404.59	0.87	-69.36
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024544657	1	50	0.0	-84.53	415.64	0.26	-84.27
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024544657	1	50	0.0	-83.99	415.67	0.26	-83.73
O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544805	1	53	0.0	-77.79	433.53	-0.19	-77.98
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024544813	0	53	0.0	-74.71	423.12	1.80	-72.91
C[N@@H+]1CCC(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024544836	0	52	0.0	-76.19	424.90	1.40	-74.79
C[N@H+]1CCC(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024544836	1	52	0.0	-75.63	424.60	1.41	-74.22
CCC(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024544842	0	51	0.0	-71.19	412.02	1.42	-69.77
C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544874	0	54	0.0	-75.74	443.69	1.94	-73.80
CC(C)C(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024544887	0	54	0.0	-71.72	427.33	2.02	-69.70
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544888	0	54	0.0	-75.63	439.94	1.75	-73.88
CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544888	1	54	0.0	-75.63	439.86	1.76	-73.87
CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544891	0	51	0.0	-73.58	417.57	1.21	-72.37
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544891	1	51	0.0	-73.55	417.51	1.22	-72.33
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024544904	0	53	0.0	-78.37	420.27	1.02	-77.35
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024544904	1	53	0.0	-74.08	420.12	1.05	-73.03
CC1CC[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024544929	0	55	0.0	-73.87	440.90	2.28	-71.59
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024544966	0	52	0.0	-76.06	430.12	1.55	-74.51
CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544983	0	51	0.0	-74.90	418.37	1.01	-73.89
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544983	1	51	0.0	-74.83	418.42	1.01	-73.82
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024544995	0	53	0.0	-79.25	419.54	1.57	-77.68
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024545033	0	52	0.0	-77.67	422.87	1.48	-76.19
CC(C)[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024545048	0	54	0.0	-71.18	427.47	1.93	-69.25
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024545111	0	52	0.0	-68.77	411.69	1.43	-67.34
CCC(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024545138	0	57	0.0	-67.15	444.50	2.10	-65.05
CC1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545147	0	52	0.0	-70.07	416.98	1.19	-68.88
CC1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545147	1	52	0.0	-70.72	423.54	1.57	-69.15
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545174	0	55	0.0	-68.58	437.25	1.91	-66.67
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545174	1	55	0.0	-68.24	439.92	2.02	-66.22
CC(C)[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024545181	0	54	0.0	-71.76	427.44	2.00	-69.76
CC1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024545191	0	52	0.0	-72.61	424.49	1.45	-71.16
CC1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024545191	1	52	0.0	-72.81	424.32	1.53	-71.28
CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024545193	0	55	0.0	-72.77	443.29	2.05	-70.72
CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024545193	1	55	0.0	-72.78	443.32	2.05	-70.73
C[N@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024545194	0	57	0.0	-73.44	447.90	2.29	-71.15
C[N@@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024545194	1	57	0.0	-73.33	448.46	2.38	-70.95
CC[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024545201	0	51	0.0	-70.56	408.50	0.82	-69.74
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545281	1	47	0.0	-70.18	407.77	1.41	-68.77
CC[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024545324	1	53	0.0	-76.04	426.33	0.74	-75.30
CC[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024545324	1	53	0.0	-82.72	433.47	0.90	-81.82
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545344	1	47	0.0	-73.09	408.03	2.14	-70.95
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024545349	0	52	0.0	-74.26	416.06	0.99	-73.27
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024545349	1	52	0.0	-75.53	421.34	1.08	-74.45
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024545351	0	55	0.0	-74.67	435.34	1.48	-73.19
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024545351	1	55	0.0	-74.76	440.86	1.89	-72.87
CC1CCC(C)[NH+]1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545356	0	55	0.0	-70.15	437.10	1.85	-68.30
O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545358	0	55	0.0	-73.98	447.09	2.28	-71.70
O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545362	0	55	0.0	-74.40	442.28	2.23	-72.17
CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545365	0	55	0.0	-69.33	438.04	2.05	-67.28
CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545365	1	55	0.0	-69.79	428.62	1.88	-67.91
C[N@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024545445	0	52	0.0	-71.53	424.42	1.78	-69.75
C[N@@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024545445	1	52	0.0	-71.65	424.39	1.79	-69.86
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024545469	0	52	0.0	-77.67	422.87	1.48	-76.19
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545491	0	49	0.0	-72.22	398.23	0.35	-71.87
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545491	1	49	0.0	-70.01	404.35	0.85	-69.16
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545508	1	51	0.0	-70.98	424.87	1.57	-69.41
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545508	1	51	0.0	-70.92	430.80	2.08	-68.84
C[N@@H+]1CCCC1CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545513	0	55	0.0	-72.69	440.23	1.83	-70.86
C[N@H+]1CCCC1CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545513	1	55	0.0	-72.66	440.31	1.83	-70.83
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545576	0	52	0.0	-70.75	410.91	1.23	-69.52
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545576	1	52	0.0	-70.42	420.24	1.40	-69.02
CC1C(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024545625	0	52	0.0	-74.05	420.41	1.28	-72.77
CC1C(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024545625	1	52	0.0	-74.15	418.43	0.96	-73.19
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545675	0	55	0.0	-69.58	423.24	0.87	-68.71
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545675	1	55	0.0	-70.09	424.13	0.93	-69.16
C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024545688	0	48	0.0	-71.73	396.41	0.20	-71.53
C=CCC(C)(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024545700	0	55	0.0	-67.80	433.03	1.87	-65.93
O=C(CC[NH+]1CCCC1)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545712	0	52	0.0	-74.36	426.60	1.53	-72.83
C[N@H+](CCO)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545720	1	49	0.0	-74.18	406.35	-2.77	-76.95
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545720	1	49	0.0	-73.81	406.22	-2.77	-76.58
C[N@H+]1CC=C(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024545766	0	53	0.0	-72.51	437.43	2.13	-70.38
C[N@@H+]1CC=C(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024545766	1	53	0.0	-70.97	437.41	2.12	-68.85
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545784	0	53	0.0	-77.71	426.61	-2.13	-79.84
C[N@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545784	1	53	0.0	-79.59	424.70	-2.03	-81.62
CC1C[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024545810	1	49	0.0	-74.05	408.38	0.95	-73.10
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024545816	0	55	0.0	-66.77	434.34	2.29	-64.48
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024545816	1	55	0.0	-66.75	434.35	2.29	-64.46
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024545827	0	53	0.0	-68.37	435.75	2.32	-66.05
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024545827	1	53	0.0	-71.41	428.80	1.67	-69.74
O=C(C=CC[NH+]1CCCC1)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545848	0	53	0.0	-75.97	439.17	2.15	-73.82
CC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545885	0	48	0.0	-73.18	396.02	0.47	-72.71
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)CN2CC3C=CC2C3)C1	REAL300024545914	0	51	0.0	-69.71	417.31	1.68	-68.03
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024545914	1	51	0.0	-69.99	417.35	1.67	-68.32
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024545914	1	51	0.0	-69.99	417.35	1.67	-68.32
COCCN(C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545989	0	52	0.0	-73.50	428.40	-0.36	-73.86
COCC[N@H+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545989	1	52	0.0	-74.41	428.61	-0.37	-74.78
COCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024545989	1	52	0.0	-74.41	428.61	-0.37	-74.78
CC(CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024545992	0	54	0.0	-77.02	431.61	1.54	-75.48
CC[N@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024546005	0	52	0.0	-70.94	421.64	1.55	-69.39
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024546030	0	50	0.0	-70.48	409.94	0.94	-69.54
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024546037	0	53	0.0	-70.59	422.50	1.72	-68.87
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024546037	1	53	0.0	-70.59	422.50	1.72	-68.87
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546050	0	51	0.0	-74.47	416.68	1.08	-73.39
CCN1CCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546078	0	49	0.0	-71.15	403.07	0.53	-70.62
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546078	1	49	0.0	-71.75	401.61	0.36	-71.39
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546078	1	49	0.0	-71.75	401.61	0.36	-71.39
CCC(C)(C)[NH2+]C(C)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546084	0	57	0.0	-69.94	442.93	0.45	-69.49
CCCC(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024546114	0	54	0.0	-72.24	432.38	1.71	-70.53
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546118	0	51	0.0	-76.73	405.74	0.97	-75.76
CC(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546131	0	54	0.0	-74.42	438.32	1.69	-72.73
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546179	0	55	0.0	-69.97	444.17	1.94	-68.03
C[N@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546179	1	55	0.0	-70.10	443.97	2.04	-68.06
C[NH+](C)CCCCCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546181	0	57	0.0	-75.11	465.20	2.73	-72.38
C[NH+]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024546188	1	54	0.0	-73.74	437.29	-0.69	-74.43
CC1C[N@H+](C)CC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024546229	1	53	0.0	-84.52	436.83	0.99	-83.53
CC1C[N@@H+](C)CC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024546229	1	53	0.0	-84.52	436.91	0.98	-83.54
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[NH+]2CC3CC3C2)C1	REAL300024546256	0	50	0.0	-73.47	414.08	1.68	-71.79
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546273	0	52	0.0	-70.75	410.91	1.23	-69.52
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546273	1	52	0.0	-70.42	420.24	1.40	-69.02
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024546331	0	50	0.0	-76.59	417.20	1.33	-75.26
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024546331	1	50	0.0	-76.59	416.17	1.38	-75.21
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024546333	0	48	0.0	-73.07	413.99	-0.93	-74.00
[N-]=[N+]=NCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024546356	0	39	0.0	-25.40	355.28	-4.60	-30.00
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024546383	0	55	0.0	-68.10	426.36	2.12	-65.98
CCC1C[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024546390	1	52	0.0	-74.52	430.93	1.65	-72.87
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546399	0	49	0.0	-70.40	403.47	0.87	-69.53
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546399	1	49	0.0	-72.87	398.27	0.35	-72.52
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024546477	0	52	0.0	-73.63	428.04	1.52	-72.11
C[NH+](C)CCC1(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024546485	0	55	0.0	-76.22	453.55	2.38	-73.84
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546486	0	53	0.0	-67.99	424.56	1.79	-66.20
C[N@H+]1CC=CCC1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546486	1	53	0.0	-67.93	424.44	1.79	-66.14
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546514	0	52	0.0	-73.40	434.14	0.85	-72.55
[NH2+]=C1SC=CN1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546538	0	45	0.0	-69.77	405.33	-0.01	-69.78
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024546594	0	52	0.0	-67.53	416.59	1.64	-65.89
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024546594	1	52	0.0	-67.53	416.59	1.64	-65.89
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[NH+]2CCCCCC2)C1	REAL300024546595	0	55	0.0	-72.73	429.28	1.84	-70.89
CN1C=C[N+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024546598	0	47	0.0	-71.26	409.50	3.31	-67.95
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@@H](NC(=O)CN2CCC(O)CC2)C1	REAL300024546617	0	53	0.0	-77.94	431.15	-1.69	-79.63
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(O)CC2)C1	REAL300024546617	1	53	0.0	-77.94	431.15	-1.69	-79.63
C[N@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024546618	0	49	0.0	-70.63	407.57	1.20	-69.43
CC(CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024546636	0	54	0.0	-77.50	435.41	1.78	-75.72
CN1CCOCC1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546653	0	53	0.0	-70.61	421.46	-0.52	-71.13
C[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546653	1	53	0.0	-79.17	428.95	-0.38	-79.55
C[N@H+]1CCOCC1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546653	1	53	0.0	-79.17	428.95	-0.38	-79.55
CC1(O)CC[N@H+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024546714	0	53	0.0	-72.50	434.35	-1.78	-74.28
C[NH+]1CC(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024546735	0	49	0.0	-74.16	409.57	0.63	-73.53
C[N@H+](CCO)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546758	0	52	0.0	-74.21	428.72	-2.20	-76.41
C[N@@H+](CCO)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546758	1	52	0.0	-74.21	428.72	-2.20	-76.41
C[N@@H+]1CCCCC1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546773	0	55	0.0	-75.82	437.54	1.99	-73.83
C[N@H+]1CCCCC1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546773	1	55	0.0	-75.82	437.54	1.99	-73.83
CC1CCN1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546785	0	49	0.0	-71.33	404.11	0.61	-70.72
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546785	1	49	0.0	-72.38	409.61	0.89	-71.49
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546785	1	49	0.0	-72.38	409.61	0.89	-71.49
C[NH+](C)CC=CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546791	0	49	0.0	-77.68	415.56	1.05	-76.63
CC1(C)CN(CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024546796	0	52	0.0	-73.78	428.88	1.42	-72.36
CC1(C)C[NH+](CC(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024546796	1	52	0.0	-73.78	428.88	1.42	-72.36
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@@H](NC(=O)C[N@H+]2CCCC2CO)C1	REAL300024546830	0	53	0.0	-72.92	431.32	-1.65	-74.57
CC[NH+](CC)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546832	0	51	0.0	-71.63	414.37	1.16	-70.47
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)CN2CCC2)C1	REAL300024546841	0	46	0.0	-73.50	388.29	0.26	-73.24
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[NH+]2CCC2)C1	REAL300024546841	1	46	0.0	-73.50	388.29	0.26	-73.24
CC[NH+](CC)CCC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546869	0	54	0.0	-73.92	436.22	1.72	-72.20
CC(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300024546919	0	49	0.0	-70.98	406.47	0.88	-70.10
CC(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024546919	1	49	0.0	-70.98	406.47	0.88	-70.10
CCC(CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024546924	0	57	0.0	-78.34	453.11	2.42	-75.92
C[NH+](C)CC(C)(C)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546929	0	54	0.0	-70.90	426.10	1.59	-69.31
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546958	0	52	0.0	-70.45	420.25	1.40	-69.05
C[NH+](C)CC(O)CC(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024546977	0	52	0.0	-78.22	430.81	-1.18	-79.40
C=CCC(C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024546997	0	52	0.0	-69.98	422.25	1.35	-68.63
C[NH+]1CCC(C)(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024547008	0	55	0.0	-72.82	435.52	1.88	-70.94
NC(=[NH2+])SCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547029	0	43	0.0	-73.33	386.85	-3.33	-76.66
C[NH+](C)CCC1(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024547052	0	55	0.0	-75.87	454.00	2.34	-73.53
C[N@@H+]1CC=CCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547053	0	53	0.0	-65.89	424.45	1.79	-64.10
C[N@H+]1CC=CCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547053	1	53	0.0	-65.89	424.45	1.79	-64.10
CCC1C[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024547134	1	52	0.0	-72.46	430.74	1.64	-70.82
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547139	1	49	0.0	-71.06	398.32	0.36	-70.70
O=C(C[NH+]1CCCCC1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547156	0	52	0.0	-71.07	420.38	1.68	-69.39
CC1C(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024547161	0	52	0.0	-74.17	421.32	1.09	-73.08
CC1C(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024547161	1	52	0.0	-70.32	419.50	1.00	-69.32
C[N@@H+]1CCOCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547189	1	53	0.0	-77.18	428.83	-0.37	-77.55
C[N@H+]1CCOCC1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547189	1	53	0.0	-77.28	428.90	-0.38	-77.66
CCOCC(N=[N+]=[N-])C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024547196	0	49	0.0	-24.84	431.44	-3.92	-28.76
C[N@@H+]1CCCC1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547441	0	52	0.0	-69.96	420.78	1.41	-68.55
C[N@H+]1CCCC1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547441	1	52	0.0	-70.46	421.37	1.53	-68.93
C[N@@H+]1CCOC(C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024547465	1	53	0.0	-77.54	425.33	0.77	-76.77
C[N@H+]1CCOC(C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024547465	1	53	0.0	-76.79	425.62	0.77	-76.02
CC1=[NH+]C=CN1CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547604	1	50	0.0	-70.30	424.59	2.07	-68.23
C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024547622	0	55	0.0	-77.41	431.66	1.46	-75.95
C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024547622	1	55	0.0	-76.25	437.84	1.74	-74.51
C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024547642	0	55	0.0	-77.11	425.89	2.01	-75.10
CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024547644	0	57	0.0	-71.86	444.33	2.66	-69.20
C[N@H+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024547653	0	55	0.0	-71.54	441.01	2.48	-69.06
C[N@@H+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024547653	1	55	0.0	-71.97	441.14	2.50	-69.47
C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024547677	0	55	0.0	-77.27	439.72	2.14	-75.13
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547683	0	55	0.0	-70.83	436.96	2.08	-68.75
C[N@H+]1CCCCC1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547683	1	55	0.0	-71.44	427.56	1.94	-69.50
CC1=C[NH+]=CN1CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547700	1	50	0.0	-73.06	424.92	2.79	-70.27
C[N@@H+]1CCC(CC(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024547710	0	55	0.0	-76.32	441.59	2.07	-74.25
C[N@H+]1CCC(CC(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024547710	1	55	0.0	-76.02	441.54	2.06	-73.96
CCC(C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024547713	0	54	0.0	-71.04	425.59	1.46	-69.58
C[NH+](C)CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547727	0	57	0.0	-75.97	460.69	2.62	-73.35
CC(C)C(C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024547730	0	57	0.0	-70.59	438.68	2.01	-68.58
CCC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547731	0	57	0.0	-75.65	456.93	2.44	-73.21
CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547731	1	57	0.0	-75.62	456.92	2.43	-73.19
CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547732	0	54	0.0	-73.80	434.14	1.91	-71.89
CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547732	1	54	0.0	-73.64	434.39	1.87	-71.77
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547747	0	52	0.0	-72.46	415.08	1.03	-71.43
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547747	1	52	0.0	-70.44	420.88	1.49	-68.95
CC[NH+](CC)CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547759	0	54	0.0	-71.70	431.43	1.84	-69.86
C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024547813	0	55	0.0	-75.52	447.13	2.26	-73.26
C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024547835	0	55	0.0	-77.27	439.72	2.14	-75.13
CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024547850	0	57	0.0	-71.30	443.52	2.73	-68.57
CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547877	0	54	0.0	-74.90	435.43	1.69	-73.21
CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547877	1	54	0.0	-74.96	435.43	1.68	-73.28
CC1CCC[N@@H+]1CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547887	0	55	0.0	-71.04	440.26	2.28	-68.76
CC1CCC[N@H+]1CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547887	1	55	0.0	-70.13	434.01	1.85	-68.28
CC1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024547888	0	55	0.0	-73.14	440.12	2.23	-70.91
CC1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024547888	1	55	0.0	-72.70	440.49	2.16	-70.54
CC[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024547890	0	54	0.0	-70.78	425.81	1.45	-69.33
C[NH+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547926	0	48	0.0	-73.82	395.33	0.48	-73.34
CN1C=C[N+](CC(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024547927	0	50	0.0	-71.37	426.56	3.99	-67.38
C[N@@H+]1CCCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024547930	0	55	0.0	-74.05	439.54	2.11	-71.94
C[N@H+]1CCCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024547930	1	55	0.0	-74.15	439.69	2.08	-72.07
CC(C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024547937	1	52	0.0	-71.03	423.29	1.53	-69.50
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024547940	0	57	0.0	-73.89	442.04	2.19	-71.70
C[N@H+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024547947	0	52	0.0	-70.57	424.59	1.88	-68.69
C[N@@H+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024547947	1	52	0.0	-71.25	424.57	1.86	-69.39
C[NH+]1CC(CC(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024547958	0	52	0.0	-74.56	426.62	1.31	-73.25
C[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024547970	0	51	0.0	-72.14	413.26	0.84	-71.30
[N-]=[N+]=NCC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024547977	0	42	0.0	-24.47	372.12	-3.95	-28.42
C[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024548008	0	51	0.0	-72.14	413.26	0.84	-71.30
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548011	0	55	0.0	-70.98	427.97	1.91	-69.07
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548011	1	55	0.0	-70.08	437.04	2.05	-68.03
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CC[C@H](CNC(=O)C[NH+]2CCC2)C1	REAL300024548038	1	49	0.0	-73.58	405.62	0.96	-72.62
C[N@@H+]1CCC(=CC(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024548047	0	53	0.0	-76.95	433.97	2.08	-74.87
C[N@H+]1CCC(=CC(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024548047	1	53	0.0	-76.77	433.87	2.03	-74.74
C[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024548065	0	51	0.0	-71.87	412.96	0.94	-70.93
CC1C[NH+](CC(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024548081	1	52	0.0	-74.15	425.23	1.61	-72.54
C[N@H+](CCO)CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548094	1	52	0.0	-74.19	423.25	-2.12	-76.31
C[N@@H+](CCO)CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548094	1	52	0.0	-73.81	423.04	-2.11	-75.92
CC(CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024548106	0	57	0.0	-75.37	452.34	2.45	-72.92
CC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548108	0	51	0.0	-73.20	412.89	1.11	-72.09
CC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548108	1	51	0.0	-73.26	412.90	1.12	-72.14
CC[N@H+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024548118	0	55	0.0	-70.02	443.75	2.48	-67.54
CC[N@@H+](CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024548118	1	55	0.0	-71.92	436.50	2.36	-69.56
CC[NH+](CC)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548124	0	57	0.0	-73.91	453.28	2.39	-71.52
CC1(C)C[NH+](CC(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024548132	1	55	0.0	-73.96	445.36	2.07	-71.89
C[NH+](C)CC=CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548139	0	52	0.0	-77.87	432.38	1.69	-76.18
CC(CCC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024548156	0	57	0.0	-73.63	452.19	2.23	-71.40
CC[N@@H+]1CCC1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548160	1	52	0.0	-71.91	418.99	1.31	-70.60
CC[N@H+]1CCC1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548160	1	52	0.0	-72.43	426.97	1.50	-70.93
C=CCC(C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024548181	0	55	0.0	-72.11	441.80	2.13	-69.98
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CC[C@H](CNC(=O)C[NH+]2CC3CC3C2)C1	REAL300024548189	0	53	0.0	-73.51	430.66	2.36	-71.15
CCCC(C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024548194	0	57	0.0	-72.43	449.29	2.37	-70.06
C[NH+](C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548196	0	54	0.0	-77.05	422.07	1.71	-75.34
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548206	0	55	0.0	-70.83	436.96	2.08	-68.75
C[N@H+]1CCCCC1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548206	1	55	0.0	-71.44	427.56	1.94	-69.50
C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024548242	0	52	0.0	-76.75	417.75	2.18	-74.57
O=C(CC[NH+]1CCCC1)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548243	0	55	0.0	-74.55	442.36	2.13	-72.42
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024548253	0	53	0.0	-75.40	425.82	1.82	-73.58
C[N@H+]1CC2CC1(C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024548253	1	53	0.0	-75.79	427.65	1.65	-74.14
CC(C[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548288	0	54	0.0	-74.66	433.62	1.73	-72.93
CC(C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024548308	1	55	0.0	-71.39	443.11	2.21	-69.18
CC1CC[N@@H+]1CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548309	1	52	0.0	-72.27	426.36	1.55	-70.72
CC1CC[N@H+]1CC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548309	1	52	0.0	-71.34	421.06	1.28	-70.06
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024548340	0	55	0.0	-73.98	444.70	2.18	-71.80
CC(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548341	0	57	0.0	-74.89	455.19	2.34	-72.55
C[N@@H+]1CCCC1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548510	0	52	0.0	-68.39	420.80	1.42	-66.97
C[N@H+]1CCCC1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548510	1	52	0.0	-68.88	421.41	1.52	-67.36
C[N@@H+]1CCOC(C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024548536	1	53	0.0	-74.27	425.25	0.77	-73.50
C[N@H+]1CCOC(C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024548536	1	53	0.0	-82.44	432.50	0.90	-81.54
C[N@@H+]1CCC(CC(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024548686	0	55	0.0	-73.58	441.52	2.10	-71.48
C[N@H+]1CCC(CC(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024548686	1	55	0.0	-74.38	441.26	2.05	-72.33
CCC(C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024548689	0	54	0.0	-68.05	425.70	1.44	-66.61
C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548699	0	57	0.0	-74.98	460.41	2.62	-72.36
CC(C)C(C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024548702	0	57	0.0	-69.71	444.11	2.71	-67.00
CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548703	0	57	0.0	-74.32	456.64	2.42	-71.90
CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548703	1	57	0.0	-74.29	456.65	2.43	-71.86
CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548704	0	54	0.0	-70.61	434.21	1.90	-68.71
CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548704	1	54	0.0	-72.05	434.32	1.87	-70.18
C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024548743	0	55	0.0	-72.57	446.81	2.25	-70.32
CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548749	0	54	0.0	-73.76	435.43	1.68	-72.08
CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548749	1	54	0.0	-73.53	435.14	1.69	-71.84
C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024548771	0	55	0.0	-76.22	439.89	2.13	-74.09
CC(C)[C@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024548786	0	57	0.0	-69.79	444.52	2.68	-67.11
C[NH+](C)C1(C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024548808	0	55	0.0	-66.59	429.07	1.98	-64.61
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548832	0	55	0.0	-67.40	441.02	2.16	-65.24
CC1CCC[N@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548832	1	55	0.0	-68.60	433.82	1.86	-66.74
CC(C)[C@@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024548843	0	57	0.0	-69.80	441.03	2.93	-66.87
CC1CC[N@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024548851	0	55	0.0	-71.08	440.54	2.13	-68.95
CC1CC[N@@H+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024548851	1	55	0.0	-71.38	440.31	2.21	-69.17
CC[C@@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024548853	0	54	0.0	-68.07	425.39	1.50	-66.57
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548890	1	50	0.0	-68.67	424.49	2.09	-66.58
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548908	1	50	0.0	-71.56	424.82	2.82	-68.74
C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024548909	0	55	0.0	-73.80	432.85	1.67	-72.13
C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024548909	1	55	0.0	-74.79	438.48	1.74	-73.05
C[N@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024548939	0	55	0.0	-70.09	441.56	2.46	-67.63
C[N@@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024548939	1	55	0.0	-68.76	441.03	2.48	-66.28
C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024548945	0	55	0.0	-76.22	439.89	2.13	-74.09
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548958	0	52	0.0	-70.71	415.15	1.01	-69.70
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024548958	1	52	0.0	-68.85	421.38	1.52	-67.33
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549001	0	55	0.0	-69.33	427.72	1.90	-67.43
C[N@H+]1CCCCC1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549001	1	55	0.0	-68.37	437.14	2.04	-66.33
CC1C(C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024549030	0	55	0.0	-73.75	432.63	1.68	-72.07
CC1C(C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024549030	1	55	0.0	-72.91	437.20	1.97	-70.94
C[C@@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024549071	0	51	0.0	-70.63	413.15	0.88	-69.75
O=C(CC[NH+]1CCCC1)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549089	0	55	0.0	-71.59	443.24	2.24	-69.35
C[N@H+](CCO)CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549094	1	52	0.0	-71.15	423.06	-2.08	-73.23
C[N@@H+](CCO)CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549094	1	52	0.0	-70.75	422.85	-2.08	-72.83
CC1C[NH+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024549137	1	52	0.0	-72.51	425.17	1.63	-70.88
CC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549169	0	51	0.0	-71.60	412.81	1.14	-70.46
CC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549169	1	51	0.0	-70.19	412.71	1.16	-69.03
CC(CCC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024549222	0	57	0.0	-72.47	452.34	2.21	-70.26
CC[N@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024549227	0	55	0.0	-66.95	443.50	2.53	-64.42
CC[N@@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024549227	1	55	0.0	-67.57	440.96	2.52	-65.05
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024549240	0	53	0.0	-73.18	425.57	1.84	-71.34
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024549240	1	53	0.0	-73.46	427.58	1.57	-71.89
CC(C[NH+](C)C)C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549249	0	54	0.0	-67.30	433.24	1.83	-65.47
C[NH+](C)C1(C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024549255	0	52	0.0	-73.49	423.68	1.82	-71.67
C[C@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024549265	0	51	0.0	-70.17	413.19	0.90	-69.27
CC[N@@H+]1CCC1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549268	1	52	0.0	-70.28	418.64	1.01	-69.27
CC[N@H+]1CCC1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549268	1	52	0.0	-69.85	419.63	1.12	-68.73
NC1=CC=[NH+]C=C1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549279	0	48	0.0	-72.91	403.18	-1.03	-73.94
CCCC(C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024549283	0	57	0.0	-70.74	449.24	2.37	-68.37
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549286	0	54	0.0	-74.03	422.52	1.62	-72.41
CC(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549295	0	57	0.0	-73.60	455.08	2.37	-71.23
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CC[C@@H](NC(=O)C[NH+]2CC3CC3C2)C1	REAL300024549354	0	53	0.0	-70.43	429.53	2.32	-68.11
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549362	0	55	0.0	-69.33	427.72	1.90	-67.43
C[N@H+]1CCCCC1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549362	1	55	0.0	-68.37	437.14	2.04	-66.33
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024549387	0	53	0.0	-74.66	432.88	2.06	-72.60
C[N@H+]1CCC(=CC(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024549387	1	53	0.0	-75.97	433.26	2.05	-73.92
[N-]=[N+]=NCC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024549394	0	42	0.0	-24.62	372.02	-3.93	-28.55
CCC1C[NH+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024549410	1	55	0.0	-72.98	447.58	2.28	-70.70
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549415	0	52	0.0	-69.11	420.42	1.53	-67.58
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549415	1	52	0.0	-71.37	415.03	1.02	-70.35
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024549455	0	55	0.0	-72.60	444.66	2.20	-70.40
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCCC2)C1	REAL300024549496	0	55	0.0	-69.91	436.72	2.36	-67.55
C[N@@H+]1CCCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024549497	0	55	0.0	-72.83	439.93	2.10	-70.73
C[N@H+]1CCCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024549497	1	55	0.0	-65.50	433.30	2.32	-63.18
CN1C=C[N+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024549498	0	50	0.0	-69.87	426.39	3.96	-65.91
C[N@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024549508	0	52	0.0	-69.59	424.57	1.86	-67.73
C[N@@H+](CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024549508	1	52	0.0	-68.20	424.33	1.91	-66.29
CC(CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024549516	0	57	0.0	-76.89	452.18	2.46	-74.43
C[NH+]1CC(CC(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024549565	0	52	0.0	-73.36	426.48	1.30	-72.06
C[NH+](C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549572	0	48	0.0	-72.29	395.05	0.48	-71.81
C[C@@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024549580	0	51	0.0	-70.63	413.15	0.88	-69.75
CC(C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024549594	1	55	0.0	-68.05	444.03	2.18	-65.87
CC1CC[N@@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549595	1	52	0.0	-70.70	426.63	1.58	-69.12
CC1CC[N@H+]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549595	1	52	0.0	-71.06	426.69	1.55	-69.51
C[NH+](C)CC=CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549597	0	52	0.0	-75.29	432.21	1.76	-73.53
CC1(C)C[NH+](CC(=O)N[C@@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024549601	1	55	0.0	-72.23	445.93	2.08	-70.15
CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549614	0	54	0.0	-70.03	431.14	1.84	-68.19
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC2)C1	REAL300024549619	1	49	0.0	-72.03	405.17	0.90	-71.13
CC[NH+](CC)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549637	0	57	0.0	-72.92	448.64	2.12	-70.80
CC(C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024549665	1	52	0.0	-69.25	423.23	1.55	-67.70
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549669	0	57	0.0	-71.13	442.18	2.15	-68.98
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549689	0	55	0.0	-69.58	428.00	1.90	-67.68
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549689	1	55	0.0	-67.14	436.92	2.09	-65.05
C=CCC(C(=O)N[C@@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024549708	0	55	0.0	-68.74	438.74	1.96	-66.78
NC(=[NH2+])SCC(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549731	0	46	0.0	-75.70	402.83	-2.55	-78.25
CCC1C[NH+](CC(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024549786	1	55	0.0	-74.65	447.58	2.26	-72.39
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549790	0	52	0.0	-70.53	420.99	1.53	-69.00
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024549790	1	52	0.0	-73.00	415.08	1.02	-71.98
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCCC2)C1	REAL300024549797	0	55	0.0	-72.99	437.07	2.35	-70.64
CC1C(C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024549801	0	55	0.0	-73.73	437.19	1.94	-71.79
CC1C(C(=O)NC[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024549801	1	55	0.0	-74.58	437.02	2.00	-72.58
CC1CC2(CN1C(=O)C[NH+](C)C)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024549879	0	55	0.0	-73.11	421.09	3.92	-69.19
CC1CC2(CN1C(=O)CN=[N+]=[N-])CCN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300024549884	0	49	0.0	-24.08	398.06	-0.50	-24.58
CC1CC2(CN1C(=O)CSC1=NC(=O)NN1)CCN(C(=O)CN=[N+]=[N-])CC2	REAL300024549946	0	49	0.0	-24.27	397.96	-0.51	-24.78
CC1CC2(CN1C(=O)CSC1=NNC(=O)[N-]1)CCN(C(=O)C[NH+](C)C)CC2	REAL300024549953	0	55	0.0	-73.12	421.11	3.86	-69.26
CC1CCCN(C(=O)C[NH+](C)C)C1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024550081	0	54	0.0	-66.36	411.19	2.11	-64.25
C[C@@H](C(=O)N1CCCC(C)C1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024550086	0	57	0.0	-62.48	423.86	2.32	-60.16
CC1CCCN(C(=O)CN=[N+]=[N-])C1CCNC(=O)CSC1=NC(=O)NN1	REAL300024550089	0	48	0.0	-20.80	389.98	-1.71	-22.51
C[C@@H](C(=O)N1CCCC(C)C1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024550096	0	57	0.0	-62.48	423.86	2.32	-60.16
CC1CCCN(C(=O)C[NH+]2CCC2)C1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024550103	1	55	0.0	-66.04	422.85	2.65	-63.39
C[C@H](C(=O)N1CCCC(C)C1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024550108	0	57	0.0	-64.91	426.21	2.46	-62.45
CC[N@H+](C)CC(=O)N1CCCC(C)C1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024550117	0	57	0.0	-65.99	430.29	2.84	-63.15
CC[N@@H+](C)CC(=O)N1CCCC(C)C1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024550117	1	57	0.0	-65.88	428.92	2.78	-63.10
C[C@@H](C(=O)NCCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024550248	0	57	0.0	-59.19	430.21	2.82	-56.37
CC[N@H+](C)CC(=O)NCCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024550267	0	57	0.0	-58.88	430.52	3.05	-55.83
CC[N@@H+](C)CC(=O)NCCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024550267	1	57	0.0	-63.23	430.77	3.47	-59.76
C[C@H](C(=O)NCCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024550280	0	57	0.0	-57.02	430.26	2.82	-54.20
CC1CCCN(C(=O)CSC2=NC(=O)NN2)C1CCNC(=O)CN=[N+]=[N-]	REAL300024550304	0	48	0.0	-21.15	390.00	-1.61	-22.76
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CCNC(=O)C[NH+](C)C	REAL300024550331	0	54	0.0	-59.87	412.79	2.37	-57.50
C[C@@H](C(=O)NCCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024550334	0	57	0.0	-59.19	430.21	2.82	-56.37
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CCNC(=O)C[NH+]1CCC1	REAL300024550341	1	55	0.0	-63.84	423.12	3.22	-60.62
CCO[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024550457	0	52	0.0	-73.42	429.22	0.67	-72.75
CCO[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@H]1CNC(=O)CSC1=NC(=O)NN1	REAL300024550463	0	46	0.0	-25.50	405.64	-3.73	-29.23
CCO[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024550477	1	53	0.0	-74.54	439.60	1.10	-73.44
CCO[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1CNC(=O)CN=[N+]=[N-]	REAL300024550645	0	46	0.0	-24.07	405.67	-3.69	-27.76
CCO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[NH+](C)C	REAL300024550667	0	52	0.0	-70.67	430.38	0.68	-69.99
CCO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[NH+]1CCC1	REAL300024550676	1	53	0.0	-72.67	438.99	1.18	-71.49
C[C@@H]1CCN(C(=O)C2CCC[N@@H+]2C)[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024550794	0	55	0.0	-67.68	413.24	3.57	-64.11
C[C@@H]1CCN(C(=O)C2CCC[N@H+]2C)[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024550794	1	55	0.0	-65.25	424.25	3.81	-61.44
CCC(C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024550885	0	57	0.0	-64.43	425.84	3.85	-60.58
CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024550889	0	57	0.0	-72.49	440.80	3.46	-69.03
CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024550889	1	57	0.0	-72.56	440.93	3.49	-69.07
C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024550895	0	55	0.0	-64.90	421.61	3.75	-61.15
C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024550895	1	55	0.0	-71.24	420.38	2.59	-68.65
CC[NH+](CC)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024550898	0	57	0.0	-66.11	435.31	4.31	-61.80
CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024550938	0	57	0.0	-74.67	441.72	3.36	-71.31
CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024550938	1	57	0.0	-69.86	440.37	4.26	-65.60
CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024550941	0	57	0.0	-71.02	431.62	3.12	-67.90
C[C@@H]1CCN(C(=O)C[NH+](C)C)[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024550956	0	51	0.0	-72.73	401.62	2.08	-70.65
CC(C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024550960	1	55	0.0	-68.71	416.87	3.46	-65.25
C[C@@H]1CCN(C(=O)C[N@H+](C)C2CC2)[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024550966	0	55	0.0	-69.60	430.60	3.45	-66.15
C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CC2)[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024550966	1	55	0.0	-68.69	430.46	3.45	-65.24
C[C@@H]1CCN(C(=O)CC2C[NH+](C)C2)[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024550971	0	55	0.0	-73.30	432.62	2.92	-70.38
C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024550978	0	54	0.0	-66.22	415.29	3.32	-62.90
C[C@@H]1CCN(C(=O)CN=[N+]=[N-])[C@H](CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024550981	0	45	0.0	-25.05	378.54	-2.33	-27.38
C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024550996	0	54	0.0	-66.22	415.29	3.32	-62.90
C[C@@H]1CCN(C(=O)C[NH+]2CCC2)[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024551012	1	52	0.0	-72.99	412.00	2.55	-70.44
C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024551020	0	54	0.0	-66.01	415.50	3.32	-62.69
CC1C[NH+](CC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024551026	1	55	0.0	-70.23	430.35	4.13	-66.10
CC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024551040	0	54	0.0	-68.46	418.28	3.68	-64.78
CC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024551040	1	54	0.0	-72.27	419.43	2.74	-69.53
C[C@@H]1CCN(C(=O)C=CC[NH+](C)C)[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024551054	0	55	0.0	-70.73	435.22	4.15	-66.58
CC[N@@H+]1CCC1C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024551059	1	55	0.0	-70.23	424.10	2.68	-67.55
CC[N@H+]1CCC1C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024551059	1	55	0.0	-70.42	425.04	2.71	-67.71
CC(C[NH+](C)C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024551100	0	57	0.0	-69.49	435.88	4.09	-65.40
CC1CC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024551108	1	55	0.0	-67.87	431.57	4.05	-63.82
CC1CC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024551108	1	55	0.0	-66.41	426.11	3.78	-62.63
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)C2CCC[N@@H+]2C)C1	REAL300024551215	0	55	0.0	-68.70	427.48	3.21	-65.49
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)C2CCC[N@H+]2C)C1	REAL300024551215	1	55	0.0	-67.92	426.90	3.11	-64.81
CCC(C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024551286	0	57	0.0	-67.16	429.34	3.27	-63.89
CCC[N@H+](C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024551290	0	57	0.0	-58.01	439.73	4.52	-53.49
CCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024551290	1	57	0.0	-58.18	439.74	4.52	-53.66
CC[N@H+](C)CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024551307	0	57	0.0	-61.63	440.64	4.32	-57.31
CC[N@@H+](C)CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024551307	1	57	0.0	-61.38	440.64	4.33	-57.05
CC[C@@H](C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024551347	0	57	0.0	-67.95	432.10	3.19	-64.76
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300024551393	0	55	0.0	-68.02	427.32	3.12	-64.90
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1	REAL300024551393	1	55	0.0	-71.18	421.39	2.67	-68.51
C[C@@H](C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024551447	0	54	0.0	-70.48	419.37	2.53	-67.95
CC1C[NH+](CC(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024551471	1	55	0.0	-72.70	431.96	3.35	-69.35
CC[N@H+](C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024551489	0	54	0.0	-57.82	418.24	3.77	-54.05
CC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024551489	1	54	0.0	-57.89	418.24	3.77	-54.12
CC(C[NH+](C)C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024551519	0	57	0.0	-74.83	439.97	3.43	-71.40
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)C2([NH+](C)C)CC2)C1	REAL300024551522	0	55	0.0	-78.87	423.56	3.79	-75.08
C[C@H](C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024551526	0	54	0.0	-55.38	418.69	3.52	-51.86
CC[N@@H+]1CCC1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024551529	1	55	0.0	-69.54	426.13	2.87	-66.67
CC[N@H+]1CCC1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024551529	1	55	0.0	-71.50	432.79	3.17	-68.33
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)C(C)(C)[NH+](C)C)C1	REAL300024551537	0	57	0.0	-77.99	428.60	3.35	-74.64
C[C@@H]1CCN(C(=O)CSC2=NC(=O)NN2)[C@H](CNC(=O)CN=[N+]=[N-])C1	REAL300024551583	0	45	0.0	-21.96	377.47	-1.29	-23.25
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300024551596	0	55	0.0	-71.36	421.11	2.69	-68.67
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300024551596	1	55	0.0	-55.96	425.98	4.03	-51.93
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)C[N@H+](C)C2CC2)C1	REAL300024551633	0	55	0.0	-69.28	430.97	3.57	-65.71
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)C[N@@H+](C)C2CC2)C1	REAL300024551633	1	55	0.0	-68.48	430.98	3.57	-64.91
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)CC2C[NH+](C)C2)C1	REAL300024551661	0	55	0.0	-64.35	431.79	3.93	-60.42
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)C[NH+](C)C)C1	REAL300024551664	0	51	0.0	-58.99	400.51	3.11	-55.88
C[C@@H](C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024551667	0	54	0.0	-70.48	419.37	2.53	-67.95
CC1CC[N@@H+]1CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024551674	1	55	0.0	-56.44	426.29	3.92	-52.52
CC1CC[N@H+]1CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024551674	1	55	0.0	-70.99	432.95	3.25	-67.74
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)C=CC[NH+](C)C)C1	REAL300024551675	0	55	0.0	-79.02	437.66	3.37	-75.65
CC[NH+](CC)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024551681	0	57	0.0	-54.21	435.72	4.44	-49.77
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](CNC(=O)C[NH+]2CCC2)C1	REAL300024551682	1	52	0.0	-57.33	410.38	3.49	-53.84
CC(C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024551704	1	55	0.0	-54.87	428.08	4.11	-50.76
C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024551768	0	55	0.0	-67.44	414.86	3.57	-63.87
C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024551768	1	55	0.0	-65.50	424.87	3.87	-61.63
C[C@@H]1CCCN(C(=O)C[NH+](C)C)[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024551813	0	57	0.0	-71.96	435.08	3.51	-68.45
C[C@@H]1CCCN(C(=O)CN=[N+]=[N-])[C@@H]1CCCNC(=O)CSC1=NC(=O)NN1	REAL300024551818	0	51	0.0	-23.34	411.61	-0.90	-24.24
C[C@@H]1CCCN(C(=O)CSC2=NC(=O)NN2)[C@@H]1CCCNC(=O)CN=[N+]=[N-]	REAL300024551875	0	51	0.0	-23.73	411.31	-0.82	-24.55
C[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1CCCNC(=O)C[NH+](C)C	REAL300024551882	0	57	0.0	-72.27	435.06	3.61	-68.66
C[NH+](C)CC(=O)NCC1=NC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300024551922	0	47	0.0	-74.17	409.60	-2.23	-76.40
C[NH+](C)CC(=O)NCC1=CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024551998	0	47	0.0	-72.00	409.60	-2.23	-74.23
C[NH+](C)CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2C1(C)C	REAL300024552038	0	55	0.0	-69.51	417.09	3.20	-66.31
CC1(C)C(NC(=O)CN=[N+]=[N-])C2CCCN(C(=O)CSC3=NC(=O)NN3)C21	REAL300024552043	0	49	0.0	-21.68	394.03	-1.21	-22.89
CC1(C)C(NC(=O)CSC2=NC(=O)NN2)C2CCCN(C(=O)CN=[N+]=[N-])C21	REAL300024552101	0	49	0.0	-24.66	392.37	-1.09	-25.75
C[NH+](C)CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C21	REAL300024552107	0	55	0.0	-75.82	415.21	3.32	-72.50
C[NH+](C)CC(=O)N1CC2C(C1)C1CCC2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024552148	0	53	0.0	-71.61	399.73	4.36	-67.25
[N-]=[N+]=NCC(=O)N1CC2C(C1)C1CCC2CN1C(=O)CSC1=NC(=O)NN1	REAL300024552153	0	47	0.0	-22.41	383.82	-0.21	-22.62
[N-]=[N+]=NCC(=O)N1CC2CCC1C1CN(C(=O)CSC3=NC(=O)NN3)CC12	REAL300024552218	0	47	0.0	-24.35	376.32	-0.06	-24.41
C[NH+](C)CC(=O)N1CC2CCC1C1CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024552227	0	53	0.0	-75.99	399.35	4.36	-71.63
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024552347	0	57	0.0	-72.00	454.17	3.44	-68.56
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024552347	1	57	0.0	-71.99	453.54	3.43	-68.56
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024552440	0	57	0.0	-69.85	457.50	3.78	-66.07
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024552440	1	57	0.0	-72.36	453.40	3.43	-68.93
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024552515	0	53	0.0	-72.85	434.81	2.91	-69.94
CC(C(=O)N(C)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024552519	0	57	0.0	-70.41	460.48	3.80	-66.61
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024552524	0	57	0.0	-69.49	464.08	4.31	-65.18
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024552524	1	57	0.0	-69.62	464.08	4.32	-65.30
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024552529	0	57	0.0	-74.68	466.26	3.76	-70.92
C[C@@H](C(=O)N(C)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024552536	0	56	0.0	-70.88	451.35	3.30	-67.58
CN(CCCCCCNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024552539	0	47	0.0	-25.21	411.77	-1.50	-26.71
C[C@@H](C(=O)N(C)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024552556	0	56	0.0	-70.88	451.35	3.30	-67.58
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024552568	1	54	0.0	-72.91	444.64	3.30	-69.61
C[C@H](C(=O)N(C)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024552576	0	56	0.0	-71.18	451.32	3.25	-67.93
CC1C[NH+](CC(=O)N(C)CCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024552582	1	57	0.0	-72.73	465.81	3.97	-68.76
CC[N@H+](C)CC(=O)N(C)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024552597	0	56	0.0	-72.19	452.54	3.57	-68.62
CC[N@@H+](C)CC(=O)N(C)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024552597	1	56	0.0	-72.11	452.54	3.57	-68.54
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024552612	0	57	0.0	-78.23	470.94	4.16	-74.07
CC[N@@H+]1CCC1C(=O)N(C)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024552616	0	57	0.0	-72.36	465.72	3.83	-68.53
CC[N@H+]1CCC1C(=O)N(C)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024552616	1	57	0.0	-72.26	464.94	3.78	-68.48
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300024552645	0	57	0.0	-75.76	456.21	3.60	-72.16
CC1CC[N@@H+]1CC(=O)N(C)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024552668	0	57	0.0	-70.67	460.33	3.71	-66.96
CC1CC[N@H+]1CC(=O)N(C)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024552668	1	57	0.0	-70.54	460.59	3.70	-66.84
CN(CCCCCCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024552768	0	57	0.0	-72.23	454.57	3.52	-68.71
CN(CCCCCCNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024552768	1	57	0.0	-73.22	454.82	3.53	-69.69
CN(CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024552918	0	57	0.0	-70.48	461.10	4.05	-66.43
CN(CCCCCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024552918	1	57	0.0	-73.34	454.84	3.54	-69.80
C[C@@H](C(=O)NCCCCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024552969	0	56	0.0	-71.71	452.65	3.35	-68.36
CC1C[NH+](CC(=O)NCCCCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024552990	1	57	0.0	-73.74	465.81	4.05	-69.69
CC[N@H+](C)CC(=O)NCCCCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553007	0	56	0.0	-73.25	452.27	3.62	-69.63
CC[N@@H+](C)CC(=O)NCCCCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553007	1	56	0.0	-73.15	452.27	3.62	-69.53
CN(CCCCCCNC(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553033	0	57	0.0	-78.41	456.97	4.67	-73.74
C[C@H](C(=O)NCCCCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024553037	0	56	0.0	-72.41	452.71	3.36	-69.05
CC[N@@H+]1CCC1C(=O)NCCCCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553039	1	57	0.0	-71.36	459.61	3.70	-67.66
CC[N@H+]1CCC1C(=O)NCCCCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553039	1	57	0.0	-72.72	466.44	4.00	-68.72
CN(CCCCCCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024553084	0	47	0.0	-25.03	411.78	-1.43	-26.46
CN(CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553095	0	57	0.0	-72.15	454.77	3.53	-68.62
CN(CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553095	1	57	0.0	-70.01	460.50	3.94	-66.07
CN(CCCCCCNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553126	0	57	0.0	-71.04	463.94	4.37	-66.67
CN(CCCCCCNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553126	1	57	0.0	-71.17	463.95	4.37	-66.80
CN(CCCCCCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553148	0	57	0.0	-75.13	466.25	3.80	-71.33
CN(CCCCCCNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553151	0	53	0.0	-73.82	434.82	2.98	-70.84
C[C@@H](C(=O)NCCCCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024553154	0	56	0.0	-71.71	452.65	3.35	-68.36
CC1CC[N@@H+]1CC(=O)NCCCCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553161	1	57	0.0	-71.58	460.33	3.78	-67.80
CC1CC[N@H+]1CC(=O)NCCCCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553161	1	57	0.0	-72.46	465.87	4.04	-68.42
CN(CCCCCCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553162	0	57	0.0	-78.84	472.04	4.23	-74.61
CN(CCCCCCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024553168	1	54	0.0	-73.93	444.91	3.40	-70.53
CC(C(=O)NCCCCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024553185	1	57	0.0	-72.40	464.54	3.89	-68.51
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024553239	0	57	0.0	-71.64	453.90	3.43	-68.21
CN(CCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024553239	1	57	0.0	-70.16	459.33	3.72	-66.44
CC[C@@H]1[C@@H](NC(=O)C2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553418	0	52	0.0	-70.48	409.95	2.01	-68.47
CC[C@@H]1[C@@H](NC(=O)C2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553418	1	52	0.0	-69.84	409.98	2.00	-67.84
CC[C@@H]1[C@@H](NC(=O)C2C[N@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553442	1	53	0.0	-80.87	426.92	2.16	-78.71
CC[C@@H]1[C@@H](NC(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553442	1	53	0.0	-75.07	419.29	2.01	-73.06
CC[C@@H]1[C@@H](NC(=O)CN2C=C[NH+]=C2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553581	1	50	0.0	-69.00	419.64	3.19	-65.81
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553599	0	55	0.0	-72.54	424.18	2.41	-70.13
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553599	1	55	0.0	-72.26	432.56	3.06	-69.20
CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553619	0	55	0.0	-66.93	423.99	3.01	-63.92
CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553621	0	57	0.0	-70.23	431.69	3.81	-66.42
CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553630	0	55	0.0	-71.10	436.61	3.58	-67.52
CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553630	1	55	0.0	-69.36	436.00	3.44	-65.92
CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553654	0	55	0.0	-75.11	434.13	3.37	-71.74
CC[C@@H]1[C@@H](NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553660	0	55	0.0	-70.36	420.81	3.02	-67.34
CC[C@@H]1[C@@H](NC(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553660	1	55	0.0	-68.60	421.46	2.87	-65.73
CC[C@@H]1[C@@H](NC(=O)CN2C=[NH+]C=C2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553677	1	50	0.0	-71.67	419.99	3.93	-67.74
CC[C@@H]1[C@@H](NC(=O)CC2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553687	0	55	0.0	-73.36	437.42	3.18	-70.18
CC[C@@H]1[C@@H](NC(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553687	1	55	0.0	-72.40	436.14	3.05	-69.35
CCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1CC)[NH+](C)C	REAL300024553690	0	54	0.0	-69.82	420.17	2.60	-67.22
CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553704	0	57	0.0	-73.67	454.89	3.85	-69.82
CC[C@@H]1[C@@H](NC(=O)C(C(C)C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553707	0	57	0.0	-68.85	435.46	3.41	-65.44
CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1CC	REAL300024553708	0	57	0.0	-74.36	451.12	3.66	-70.70
CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1CC	REAL300024553708	1	57	0.0	-74.36	451.12	3.67	-70.69
CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1CC	REAL300024553709	0	54	0.0	-73.08	429.46	2.99	-70.09
CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1CC	REAL300024553709	1	54	0.0	-73.03	429.46	3.00	-70.03
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553724	0	52	0.0	-68.08	415.65	2.48	-65.60
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553724	1	52	0.0	-69.66	409.05	2.02	-67.64
CC[C@@H]1[C@@H](NC(=O)C[NH+](CC)CC)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553736	0	54	0.0	-69.39	425.26	2.81	-66.58
CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553790	0	55	0.0	-72.91	438.99	3.36	-69.55
CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553812	0	55	0.0	-75.11	434.13	3.37	-71.74
CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553827	0	57	0.0	-70.24	436.46	3.09	-67.15
CC[C@@H]1[C@@H](NC(=O)CC[N@H+](C)CC)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553854	0	54	0.0	-73.60	429.62	2.93	-70.67
CC[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553854	1	54	0.0	-73.52	429.62	2.92	-70.60
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCCC2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553864	0	55	0.0	-70.20	435.53	3.37	-66.83
CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCCC2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553864	1	55	0.0	-69.46	429.76	2.90	-66.56
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553865	0	55	0.0	-70.58	435.44	3.20	-67.38
CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553865	1	55	0.0	-70.44	435.12	3.13	-67.31
CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1CC)[NH+](C)C	REAL300024553867	0	54	0.0	-69.92	420.14	2.69	-67.23
CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553903	0	48	0.0	-71.71	389.70	1.45	-70.26
CC[C@@H]1[C@@H](NC(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553904	0	50	0.0	-70.16	420.76	5.23	-64.93
CC[C@@H]1[C@@H](NC(=O)C2CCC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553907	0	55	0.0	-67.22	428.53	3.42	-63.80
CC[C@@H]1[C@@H](NC(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553907	1	55	0.0	-70.94	434.32	3.08	-67.86
CC[C@@H]1[C@@H](NC(=O)C(C)[NH+]2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553914	1	52	0.0	-70.07	419.26	2.61	-67.46
CC[C@@H]1[C@@H](NC(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553917	0	57	0.0	-70.55	440.03	3.22	-67.33
CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553924	0	52	0.0	-70.08	419.50	2.99	-67.09
CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553924	1	52	0.0	-68.57	418.06	2.86	-65.71
CC[C@@H]1[C@@H](NC(=O)CC2C[NH+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553935	0	52	0.0	-72.98	420.97	2.54	-70.44
CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553947	0	51	0.0	-71.04	408.03	2.01	-69.03
CC[C@@H]1[C@@H](NC(=O)CN=[N+]=[N-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300024553954	0	42	0.0	-22.12	366.85	-2.94	-25.06
CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553985	0	51	0.0	-71.04	408.03	2.01	-69.03
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553988	0	55	0.0	-69.30	432.35	3.19	-66.11
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024553988	1	55	0.0	-70.34	422.97	3.01	-67.33
CC[C@@H]1[C@@H](NC(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554024	0	53	0.0	-73.35	427.87	3.00	-70.35
CC[C@@H]1[C@@H](NC(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554024	1	53	0.0	-73.61	427.64	3.03	-70.58
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554042	0	51	0.0	-69.22	406.48	1.87	-67.35
CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554058	1	52	0.0	-72.76	421.53	2.67	-70.09
CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554071	1	52	0.0	-73.40	418.31	-0.99	-74.39
CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554071	1	52	0.0	-73.01	418.07	-0.99	-74.00
CC[C@@H]1[C@@H](NC(=O)CC(C)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554083	0	57	0.0	-73.35	447.32	3.58	-69.77
CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554085	0	51	0.0	-72.62	407.96	2.24	-70.38
CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554085	1	51	0.0	-72.68	407.95	2.25	-70.43
CC[C@@H]1[C@@H](NC(=O)C[N@H+](CC)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554095	0	55	0.0	-68.36	434.92	3.48	-64.88
CC[C@@H]1[C@@H](NC(=O)C[N@@H+](CC)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554095	1	55	0.0	-67.80	437.39	3.49	-64.31
CC[C@@H]1[C@@H](NC(=O)CC[NH+](CC)CC)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554101	0	57	0.0	-70.73	447.00	3.39	-67.34
CC[C@@H]1[C@@H](NC(=O)C=CC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554116	0	52	0.0	-73.91	426.93	2.71	-71.20
CC[C@@H]1[C@@H](NC(=O)CCC(C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554133	0	57	0.0	-75.07	443.00	3.44	-71.63
CC[C@@H]1[C@@H](NC(=O)C2CC[N@@H+]2CC)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554137	1	52	0.0	-71.57	421.88	2.57	-69.00
CC[C@@H]1[C@@H](NC(=O)C2CC[N@H+]2CC)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554137	1	52	0.0	-68.71	413.62	2.18	-66.53
C=CCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1CC)[NH+](C)C	REAL300024554158	0	55	0.0	-71.18	437.50	3.27	-67.91
CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC3CC3C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554166	0	53	0.0	-71.18	425.12	3.34	-67.84
CCCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1CC)[NH+](C)C	REAL300024554171	0	57	0.0	-70.23	444.53	3.86	-66.37
CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554173	0	54	0.0	-73.75	414.46	2.55	-71.20
CC[C@@H]1[C@@H](NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554183	0	55	0.0	-70.36	420.81	3.02	-67.34
CC[C@@H]1[C@@H](NC(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554183	1	55	0.0	-68.60	421.46	2.87	-65.73
CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554219	0	52	0.0	-73.30	419.80	2.75	-70.55
CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554220	0	55	0.0	-71.46	437.06	3.11	-68.35
CC[C@@H]1[C@@H](NC(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554230	0	53	0.0	-73.01	421.14	2.69	-70.32
CC[C@@H]1[C@@H](NC(=O)C23CC(C2)C[N@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554230	1	53	0.0	-73.18	421.18	2.73	-70.45
CC[C@@H]1[C@@H](NC(=O)C(C)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554265	0	54	0.0	-67.13	426.48	2.85	-64.28
CC[C@@H]1[C@@H](NC(=O)C(C)[NH+]2CC(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554285	1	55	0.0	-69.89	438.49	3.23	-66.66
CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554286	1	52	0.0	-70.57	415.31	2.52	-68.05
CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554286	1	52	0.0	-69.85	421.05	2.54	-67.31
CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554317	0	55	0.0	-71.21	439.42	3.22	-67.99
CC[C@@H]1[C@@H](NC(=O)C(C)CC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024554318	0	57	0.0	-72.75	450.32	3.49	-69.26
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300024554487	0	52	0.0	-69.12	408.14	1.90	-67.22
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C	REAL300024554487	1	52	0.0	-69.92	408.06	2.11	-67.81
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300024554661	0	55	0.0	-73.19	435.72	3.05	-70.14
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300024554661	1	55	0.0	-73.03	436.24	3.02	-70.01
CCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1CC)[NH+](C)C	REAL300024554664	0	54	0.0	-68.21	416.90	2.34	-65.87
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCC[NH+](C)C	REAL300024554673	0	57	0.0	-73.90	455.70	3.70	-70.20
CCC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1CC	REAL300024554676	0	57	0.0	-72.98	451.30	3.37	-69.61
CCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1CC	REAL300024554676	1	57	0.0	-73.45	451.45	3.38	-70.07
CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1CC	REAL300024554677	0	54	0.0	-71.32	429.09	2.83	-68.49
CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1CC	REAL300024554677	1	54	0.0	-71.15	428.02	2.81	-68.34
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300024554707	0	55	0.0	-70.15	432.85	2.98	-67.17
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[N@H+](C)CC	REAL300024554712	0	54	0.0	-73.03	430.48	2.74	-70.29
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[N@@H+](C)CC	REAL300024554712	1	54	0.0	-73.08	430.48	2.76	-70.32
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300024554727	0	55	0.0	-75.86	430.12	2.90	-72.96
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCCC1C	REAL300024554765	0	55	0.0	-67.86	434.86	3.17	-64.69
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CCCC1C	REAL300024554765	1	55	0.0	-67.29	428.36	2.76	-64.53
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCC(C)C1	REAL300024554780	0	55	0.0	-71.12	435.39	3.43	-67.69
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CCC(C)C1	REAL300024554780	1	55	0.0	-70.36	436.43	3.17	-67.19
CC[C@@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1CC)[NH+](C)C	REAL300024554782	0	54	0.0	-68.50	414.11	2.49	-66.01
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1C=C[NH+]=C1C	REAL300024554816	1	50	0.0	-67.65	420.49	3.09	-64.56
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1C=[NH+]C=C1C	REAL300024554831	1	50	0.0	-69.50	419.46	3.74	-65.76
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024554832	0	55	0.0	-72.30	423.93	2.70	-69.60
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024554832	1	55	0.0	-72.28	430.69	3.32	-68.96
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300024554855	0	55	0.0	-69.85	436.36	3.50	-66.35
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300024554855	1	55	0.0	-69.10	437.23	3.47	-65.63
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300024554861	0	55	0.0	-75.86	430.12	2.90	-72.96
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300024554871	0	52	0.0	-67.86	412.94	2.26	-65.60
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300024554871	1	52	0.0	-69.81	407.74	1.89	-67.92
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@H+](C)C1C	REAL300024554931	0	55	0.0	-71.81	430.90	3.00	-68.81
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@@H+](C)C1C	REAL300024554931	1	55	0.0	-70.14	426.89	2.45	-67.69
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H](C)[NH+](C)C	REAL300024554965	0	51	0.0	-69.85	405.85	1.86	-67.99
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCC1	REAL300024554983	0	55	0.0	-72.18	437.72	3.17	-69.01
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CCO	REAL300024554988	1	52	0.0	-71.40	416.88	-1.17	-72.57
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CCO	REAL300024554988	1	52	0.0	-71.62	417.96	-1.16	-72.78
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC(C)C1	REAL300024555027	1	52	0.0	-71.02	420.15	2.50	-68.52
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CC	REAL300024555052	0	51	0.0	-70.75	406.52	2.06	-68.69
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CC	REAL300024555052	1	51	0.0	-70.74	406.52	2.07	-68.67
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC(C)[NH+](C)C	REAL300024555097	0	57	0.0	-75.27	444.22	3.25	-72.02
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](CC)C1CC1	REAL300024555101	0	55	0.0	-68.87	435.48	3.61	-65.26
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](CC)C1CC1	REAL300024555101	1	55	0.0	-67.89	438.88	3.55	-64.34
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C(C)C[NH+](C)C	REAL300024555120	0	54	0.0	-67.28	423.58	2.56	-64.72
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H](C)[NH+](C)C	REAL300024555132	0	51	0.0	-69.25	405.87	1.77	-67.48
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@@H+]1CC	REAL300024555135	1	52	0.0	-68.16	412.12	2.02	-66.14
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@H+]1CC	REAL300024555135	1	52	0.0	-68.29	412.70	2.07	-66.22
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[NH+]=CC=C1N	REAL300024555145	0	48	0.0	-71.07	392.00	-0.68	-71.75
CCCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1CC)[NH+](C)C	REAL300024555149	0	57	0.0	-70.19	444.33	3.38	-66.81
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C(C)CC[NH+](C)C	REAL300024555159	0	57	0.0	-72.10	445.04	2.99	-69.11
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300024555215	0	53	0.0	-71.22	425.64	3.32	-67.90
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300024555222	0	55	0.0	-69.12	415.56	2.64	-66.48
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300024555222	1	55	0.0	-66.68	424.48	2.89	-63.79
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300024555241	0	53	0.0	-74.23	426.47	2.97	-71.26
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300024555241	1	53	0.0	-73.83	427.38	2.93	-70.90
CC[C@@H]1[C@@H](NC(=O)CSC2=NC(=O)NN2)CCN1C(=O)CN=[N+]=[N-]	REAL300024555246	0	42	0.0	-23.19	368.04	-2.91	-26.10
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024555259	0	52	0.0	-70.29	408.93	1.98	-68.31
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300024555259	1	52	0.0	-67.68	414.72	2.30	-65.38
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024555295	0	55	0.0	-72.68	439.51	3.26	-69.42
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCCCC1	REAL300024555329	0	55	0.0	-70.67	431.59	3.28	-67.39
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300024555330	0	55	0.0	-64.98	419.84	3.24	-61.74
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300024555330	1	55	0.0	-71.77	429.67	2.73	-69.04
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300024555331	0	50	0.0	-68.44	420.93	4.91	-63.53
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300024555340	0	52	0.0	-69.42	419.65	2.93	-66.49
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CC1	REAL300024555340	1	52	0.0	-68.72	419.51	2.92	-65.80
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC(C)C[NH+](C)C	REAL300024555348	0	57	0.0	-76.52	447.13	3.53	-72.99
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1C[NH+](C)C1	REAL300024555388	0	52	0.0	-72.52	422.19	2.25	-70.27
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+](C)C	REAL300024555395	0	48	0.0	-72.38	389.54	1.65	-70.73
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H](C)[NH+](C)C	REAL300024555403	0	51	0.0	-69.85	405.85	1.86	-67.99
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C(C)[NH+]1CC(C)C1	REAL300024555413	0	55	0.0	-67.86	433.63	2.70	-65.16
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCC1C	REAL300024555414	1	52	0.0	-68.76	414.61	2.22	-66.54
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CCC1C	REAL300024555414	1	52	0.0	-70.03	422.42	2.56	-67.47
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+](C)C	REAL300024555415	0	52	0.0	-75.88	425.01	2.73	-73.15
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300024555418	1	55	0.0	-71.25	440.27	2.98	-68.27
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+](CC)CC	REAL300024555431	0	54	0.0	-69.96	421.41	2.59	-67.37
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC1	REAL300024555436	1	49	0.0	-71.91	399.63	2.09	-69.82
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+](CC)CC	REAL300024555450	0	57	0.0	-72.27	444.53	3.17	-69.10
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C(C)[NH+]1CCC1	REAL300024555471	1	52	0.0	-67.78	411.64	2.36	-65.42
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024555489	0	55	0.0	-67.65	423.42	2.87	-64.78
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300024555489	1	55	0.0	-68.81	417.92	2.54	-66.27
C=CCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1CC)[NH+](C)C	REAL300024555505	0	55	0.0	-69.72	434.99	3.07	-66.65
CC[C@@H]1[C@@H](NC(=O)CSC(N)=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024555525	0	46	0.0	-71.58	396.71	-1.59	-73.17
CCC1C[NH+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2CC)C1	REAL300024555580	1	55	0.0	-71.95	441.44	3.31	-68.64
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024555584	0	52	0.0	-70.50	410.00	2.00	-68.50
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024555584	1	52	0.0	-69.37	416.29	2.63	-66.74
CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024555591	0	55	0.0	-70.57	431.05	3.34	-67.23
CC[C@@H]1[C@@H](NC(=O)C2CC[N@H+](C)C2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024555595	0	55	0.0	-70.81	436.28	3.13	-67.68
CC[C@@H]1[C@@H](NC(=O)C2CC[N@@H+](C)C2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024555595	1	55	0.0	-70.85	435.91	3.17	-67.68
C[NH+](C)CC(=O)N1CCCC(N(CCO)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024555725	0	52	0.0	-71.90	408.30	0.34	-71.56
[N-]=[N+]=NCC(=O)N1CCCC(N(CCO)C(=O)CSC2=NC(=O)NN2)C1	REAL300024555731	0	46	0.0	-23.54	382.45	-3.74	-27.28
O=C(CSC1=NNC(=O)[N-]1)N(CCO)C1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024555745	1	53	0.0	-76.41	415.83	1.11	-75.30
[N-]=[N+]=NCC(=O)N(CCO)C1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024555902	0	46	0.0	-22.51	382.48	-3.74	-26.25
C[NH+](C)CC(=O)N(CCO)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024555920	0	52	0.0	-67.39	405.51	0.65	-66.74
O=C(C[NH+]1CCC1)N(CCO)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024555928	1	53	0.0	-66.16	415.75	1.12	-65.04
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556049	0	53	0.0	-68.42	404.98	3.03	-65.39
C[N@H+]1CCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556049	1	53	0.0	-66.75	405.22	3.05	-63.70
CCC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1)[NH+](C)C	REAL300024556152	0	55	0.0	-64.75	415.42	3.85	-60.90
CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556157	0	55	0.0	-68.86	425.84	3.96	-64.90
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556157	1	55	0.0	-67.11	426.98	4.29	-62.82
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556165	0	53	0.0	-65.32	406.62	3.37	-61.95
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556165	1	53	0.0	-60.58	411.11	4.07	-56.51
CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556170	0	55	0.0	-65.73	423.82	4.22	-61.51
CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556228	0	55	0.0	-68.57	427.85	4.11	-64.46
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556228	1	55	0.0	-68.80	427.98	4.07	-64.73
CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1)[NH+](C)C	REAL300024556231	0	55	0.0	-66.60	415.58	3.55	-63.05
C[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556249	0	49	0.0	-62.57	388.90	3.17	-59.40
CC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1)[NH+]1CCC1	REAL300024556253	1	53	0.0	-64.42	414.69	3.73	-60.69
C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1)C1CC1	REAL300024556260	0	53	0.0	-64.72	417.03	4.27	-60.45
C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1)C1CC1	REAL300024556260	1	53	0.0	-64.84	417.31	4.25	-60.59
C[NH+]1CC(CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)CC[C@@H]3C2)C1	REAL300024556266	0	53	0.0	-68.10	419.18	3.71	-64.39
C[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1)[NH+](C)C	REAL300024556273	0	52	0.0	-66.97	403.26	2.89	-64.08
[N-]=[N+]=NCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NC(=O)NN3)CC[C@@H]2C1	REAL300024556276	0	43	0.0	-23.54	363.57	-1.87	-25.41
C[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1)[NH+](C)C	REAL300024556295	0	52	0.0	-66.97	403.26	2.89	-64.08
O=C(C[NH+]1CCC1)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556313	1	50	0.0	-62.41	399.03	3.60	-58.81
C[C@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1)[NH+](C)C	REAL300024556324	0	52	0.0	-67.10	403.42	3.15	-63.95
CC1C[NH+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)CC[C@@H]3C2)C1	REAL300024556331	1	53	0.0	-64.09	419.23	3.96	-60.13
C[N@H+](CCO)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556342	1	53	0.0	-67.24	415.83	0.30	-66.94
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556342	1	53	0.0	-67.53	415.62	0.30	-67.23
CC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556349	0	52	0.0	-66.89	405.48	3.54	-63.35
CC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556349	1	52	0.0	-66.81	405.48	3.54	-63.27
C[NH+](C)CC=CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556367	0	53	0.0	-71.28	424.38	4.07	-67.21
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556373	1	53	0.0	-67.98	417.40	3.45	-64.53
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556373	1	53	0.0	-63.36	419.40	3.84	-59.52
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556387	0	55	0.0	-67.86	405.51	3.33	-64.53
C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)CC[C@@H]3C2)CC1	REAL300024556410	0	53	0.0	-66.23	409.45	3.28	-62.95
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556432	0	55	0.0	-68.52	425.60	3.97	-64.55
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556443	1	53	0.0	-67.75	417.63	3.59	-64.16
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024556443	1	53	0.0	-65.14	413.16	3.66	-61.48
C[N@@H+]1CCCC1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556558	0	53	0.0	-73.94	405.38	3.05	-70.89
C[N@H+]1CCCC1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556558	1	53	0.0	-69.16	407.00	3.31	-65.85
CCC(C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300024556632	0	55	0.0	-69.35	417.25	3.86	-65.49
CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556636	0	55	0.0	-71.91	427.11	4.21	-67.70
CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556636	1	55	0.0	-71.70	427.11	4.20	-67.50
CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556653	0	55	0.0	-70.11	428.99	4.44	-65.67
CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556653	1	55	0.0	-73.46	427.98	4.06	-69.40
CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300024556694	0	55	0.0	-71.10	415.61	3.73	-67.37
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556740	0	53	0.0	-72.99	406.51	3.35	-69.64
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556740	1	53	0.0	-69.54	408.74	3.63	-65.91
C[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300024556795	0	52	0.0	-64.45	405.64	3.51	-60.94
C[N@H+](CCO)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556805	1	53	0.0	-71.79	415.96	0.23	-71.56
C[N@@H+](CCO)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556805	1	53	0.0	-72.50	415.77	0.23	-72.27
CC1C[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300024556821	1	53	0.0	-72.02	417.98	3.94	-68.08
CC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556839	0	52	0.0	-71.60	405.61	3.47	-68.13
CC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556839	1	52	0.0	-71.38	405.61	3.46	-67.92
CC(C[NH+](C)C)C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556872	0	55	0.0	-67.91	422.88	3.61	-64.30
C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC1	REAL300024556875	0	53	0.0	-73.59	405.80	3.61	-69.98
C[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300024556879	0	52	0.0	-72.68	402.76	2.85	-69.83
CC[N@@H+]1CCC1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556882	1	53	0.0	-70.01	411.87	3.51	-66.50
CC[N@H+]1CCC1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556882	1	53	0.0	-71.52	409.76	3.14	-68.38
C[NH+](C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556891	0	55	0.0	-76.02	406.36	3.76	-72.26
[N-]=[N+]=NCC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NC(=O)NN3)C[C@@H]2C1	REAL300024556940	0	43	0.0	-24.24	364.85	-1.59	-25.83
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556953	0	53	0.0	-70.79	407.16	3.25	-67.54
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024556953	1	53	0.0	-69.66	406.44	3.31	-66.35
C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CC1	REAL300024556990	0	53	0.0	-69.02	417.14	4.21	-64.81
C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CC1	REAL300024556990	1	53	0.0	-65.95	418.47	4.59	-61.36
C[NH+]1CC(CC(=O)N2CC[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300024557018	0	53	0.0	-71.68	419.17	3.66	-68.02
C[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024557021	0	49	0.0	-68.89	388.89	3.12	-65.77
C[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300024557024	0	52	0.0	-64.45	405.64	3.51	-60.94
CC1CC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024557033	1	53	0.0	-71.56	419.38	3.86	-67.70
CC1CC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024557033	1	53	0.0	-69.78	413.78	3.61	-66.17
C[NH+](C)CC=CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024557034	0	53	0.0	-77.69	423.88	4.39	-73.30
CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300024557040	0	55	0.0	-70.39	424.03	4.15	-66.24
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CCN(C(=O)C[NH+]3CCC3)C[C@H]2C1	REAL300024557041	1	50	0.0	-72.19	397.99	3.22	-68.97
CC(C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+]1CCC1	REAL300024557064	1	53	0.0	-74.78	408.60	3.11	-71.67
NC(=[NH2+])SCC(=O)N1C[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300024557104	0	47	0.0	-69.07	396.26	-0.22	-69.29
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024557136	0	53	0.0	-64.03	409.28	3.60	-60.43
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300024557136	1	53	0.0	-66.62	404.95	3.03	-63.59
CN(CCOCCN(C)C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024557369	0	51	0.0	-71.87	415.05	2.57	-69.30
C[C@@H](C(=O)N(C)CCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024557380	0	54	0.0	-70.77	434.61	2.56	-68.21
CN(CCOCCN(C)C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024557383	0	45	0.0	-21.92	392.03	-1.80	-23.72
C[C@@H](C(=O)N(C)CCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024557397	0	54	0.0	-70.77	434.61	2.56	-68.21
CN(CCOCCN(C)C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024557408	1	52	0.0	-72.36	429.14	2.60	-69.76
C[C@H](C(=O)N(C)CCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024557415	0	54	0.0	-70.73	435.12	2.56	-68.17
CC[N@H+](C)CC(=O)N(C)CCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024557431	0	54	0.0	-71.85	436.77	2.85	-69.00
CC[N@@H+](C)CC(=O)N(C)CCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024557431	1	54	0.0	-71.47	436.54	3.17	-68.30
C[C@@H](C(=O)N(C)CCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024557719	0	54	0.0	-70.77	434.61	2.56	-68.21
CC[N@H+](C)CC(=O)N(C)CCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024557747	0	54	0.0	-71.85	436.77	2.85	-69.00
CC[N@@H+](C)CC(=O)N(C)CCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024557747	1	54	0.0	-71.47	436.54	3.17	-68.30
C[C@H](C(=O)N(C)CCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024557772	0	54	0.0	-70.73	435.12	2.56	-68.17
CN(CCOCCN(C)C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024557810	0	45	0.0	-21.92	392.03	-1.80	-23.72
CN(CCOCCN(C)C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024557860	0	51	0.0	-71.87	415.05	2.57	-69.30
C[C@@H](C(=O)N(C)CCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024557863	0	54	0.0	-70.77	434.61	2.56	-68.21
CN(CCOCCN(C)C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024557870	1	52	0.0	-72.36	429.14	2.60	-69.76
C[N@@H+]1CCCC1C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558049	0	55	0.0	-70.16	403.49	2.69	-67.47
C[N@H+]1CCCC1C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558049	1	55	0.0	-70.15	403.51	2.70	-67.45
CCC(C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024558149	0	57	0.0	-69.75	406.65	3.87	-65.88
CCC[N@H+](C)CC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558154	0	57	0.0	-71.99	430.48	3.85	-68.14
CCC[N@@H+](C)CC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558154	1	57	0.0	-71.43	430.46	3.84	-67.59
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558162	0	55	0.0	-73.87	409.34	3.00	-70.87
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558162	1	55	0.0	-70.43	413.70	3.33	-67.10
CC[NH+](CC)CC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558167	0	57	0.0	-68.89	420.57	4.85	-64.04
CC[N@H+](C)CCC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558223	0	57	0.0	-74.09	431.04	3.70	-70.39
CC[N@@H+](C)CCC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558223	1	57	0.0	-73.27	426.08	4.80	-68.47
CC[C@@H](C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024558226	0	57	0.0	-70.53	417.55	3.34	-67.19
C[NH+](C)CC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558244	0	51	0.0	-71.88	386.01	3.53	-68.35
CC(C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024558248	1	55	0.0	-72.52	417.87	3.30	-69.22
C[N@H+](CC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024558254	0	55	0.0	-68.72	415.25	4.95	-63.77
C[N@@H+](CC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024558254	1	55	0.0	-69.01	415.41	4.94	-64.07
C[NH+]1CC(CC(=O)N2CCCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024558260	0	55	0.0	-58.77	421.52	3.37	-55.40
C[C@@H](C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024558267	0	54	0.0	-70.41	402.69	2.59	-67.82
[N-]=[N+]=NCC(=O)N1CCCCCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024558270	0	45	0.0	-20.74	362.97	-0.87	-21.61
C[C@@H](C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024558288	0	54	0.0	-70.41	402.69	2.59	-67.82
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCCN(C(=O)C[NH+]2CCC2)C1	REAL300024558306	1	52	0.0	-71.78	401.23	2.92	-68.86
C[C@H](C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024558317	0	54	0.0	-73.12	405.78	2.72	-70.40
CC1C[NH+](CC(=O)N2CCCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024558323	1	55	0.0	-71.82	421.01	3.59	-68.23
CC[N@H+](C)CC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558340	0	54	0.0	-70.68	408.19	3.11	-67.57
CC[N@@H+](C)CC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558340	1	54	0.0	-71.08	408.97	3.10	-67.98
C[NH+](C)CC=CC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558356	0	55	0.0	-76.18	425.59	3.61	-72.57
CC[N@@H+]1CCC1C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558362	1	55	0.0	-71.19	411.89	3.05	-68.14
CC[N@H+]1CCC1C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558362	1	55	0.0	-69.44	409.24	4.08	-65.36
C[NH+](C)C(C)(C)C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558375	0	57	0.0	-69.15	395.03	3.66	-65.49
C[NH+](C)C1(C(=O)N2CCCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024558397	0	55	0.0	-79.14	406.76	2.53	-76.61
CC(C[NH+](C)C)C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558419	0	57	0.0	-59.84	417.24	4.09	-55.75
CC1CC[N@@H+]1CC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558428	1	55	0.0	-71.13	422.34	3.52	-67.61
CC1CC[N@H+]1CC(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558428	1	55	0.0	-68.54	416.31	3.28	-65.26
C[N@@H+]1CCCC1C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558537	0	55	0.0	-71.21	410.61	3.12	-68.09
C[N@H+]1CCCC1C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558537	1	55	0.0	-55.59	406.01	4.17	-51.42
CCC(C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024558608	0	57	0.0	-67.76	420.32	3.54	-64.22
CCC[N@H+](C)CC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558612	0	57	0.0	-71.34	429.88	3.98	-67.36
CCC[N@@H+](C)CC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558612	1	57	0.0	-71.53	430.25	3.96	-67.57
CC[N@H+](C)CCC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558629	0	57	0.0	-56.80	426.09	4.81	-51.99
CC[N@@H+](C)CCC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558629	1	57	0.0	-71.73	431.10	3.74	-67.99
CC[C@@H](C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024558669	0	57	0.0	-67.78	421.09	3.57	-64.21
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558715	0	55	0.0	-71.78	410.19	3.12	-68.66
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558715	1	55	0.0	-67.70	416.00	3.62	-64.08
C[C@@H](C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024558769	0	54	0.0	-68.69	408.53	3.00	-65.69
CC1C[NH+](CC(=O)NC2CCCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024558793	1	55	0.0	-71.04	421.93	3.67	-67.37
CC[N@H+](C)CC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558811	0	54	0.0	-70.96	408.38	3.24	-67.72
CC[N@@H+](C)CC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558811	1	54	0.0	-70.81	408.38	3.25	-67.56
CC(C[NH+](C)C)C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558841	0	57	0.0	-74.87	429.17	3.83	-71.04
C[NH+](C)C1(C(=O)NC2CCCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024558844	0	55	0.0	-73.95	413.53	4.21	-69.74
C[C@H](C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024558848	0	54	0.0	-70.08	409.16	2.94	-67.14
CC[N@@H+]1CCC1C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558851	1	55	0.0	-70.01	422.68	3.51	-66.50
CC[N@H+]1CCC1C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558851	1	55	0.0	-69.91	422.65	3.56	-66.35
C[NH+](C)C(C)(C)C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558859	0	57	0.0	-73.88	418.68	3.67	-70.21
[N-]=[N+]=NCC(=O)NC1CCCCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024558905	0	45	0.0	-21.81	367.92	-1.88	-23.69
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558918	0	55	0.0	-68.10	416.41	3.59	-64.51
C[N@H+]1CCC[C@H]1C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558918	1	55	0.0	-71.60	410.83	3.11	-68.49
C[N@H+](CC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024558955	0	55	0.0	-52.30	415.28	5.02	-47.28
C[N@@H+](CC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024558955	1	55	0.0	-69.22	420.37	3.94	-65.28
C[NH+]1CC(CC(=O)NC2CCCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024558983	0	55	0.0	-71.72	422.39	3.34	-68.38
C[NH+](C)CC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558986	0	51	0.0	-71.78	390.95	2.53	-69.25
C[C@@H](C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024558989	0	54	0.0	-68.69	408.53	3.00	-65.69
CC1CC[N@@H+]1CC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558996	1	55	0.0	-52.54	411.70	4.44	-48.10
CC1CC[N@H+]1CC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558996	1	55	0.0	-70.20	422.34	3.63	-66.57
C[NH+](C)CC=CC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024558997	0	55	0.0	-74.12	426.91	3.74	-70.38
CC[NH+](CC)CC(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024559003	0	57	0.0	-69.32	426.69	3.87	-65.45
O=C(C[NH+]1CCC1)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024559004	1	52	0.0	-70.99	400.95	3.04	-67.95
CC(C(=O)NC1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024559026	1	55	0.0	-68.53	418.39	3.61	-64.92
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024559094	0	55	0.0	-69.77	412.75	3.21	-66.56
C[N@H+]1CCC[C@H]1C(=O)N1CCCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024559094	1	55	0.0	-74.10	409.48	2.99	-71.11
CN(C[C@@H]1CCCCN1C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559216	0	55	0.0	-68.60	418.06	4.36	-64.24
CN(C[C@@H]1CCCCN1C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559216	1	55	0.0	-69.56	419.06	4.34	-65.22
CCC(C(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024559307	0	57	0.0	-66.84	422.44	4.45	-62.39
CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559311	0	57	0.0	-72.17	435.01	4.95	-67.22
CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559311	1	57	0.0	-72.29	434.85	4.97	-67.32
CN(C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559317	0	55	0.0	-68.35	416.75	4.27	-64.08
CN(C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559317	1	55	0.0	-72.67	415.31	3.99	-68.68
CC[NH+](CC)CC(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559320	0	57	0.0	-69.66	429.97	4.69	-64.97
CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559360	0	57	0.0	-74.55	435.63	4.81	-69.74
CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559360	1	57	0.0	-73.54	435.51	4.77	-68.77
CC[C@@H](C(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024559363	0	57	0.0	-67.62	421.66	4.40	-63.22
CN(C[C@@H]1CCCCN1C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559378	0	51	0.0	-72.32	395.89	3.53	-68.79
CC(C(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024559382	1	55	0.0	-72.30	411.35	3.83	-68.47
CN(C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559388	0	55	0.0	-69.91	425.33	4.94	-64.97
CN(C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559388	1	55	0.0	-68.51	424.90	4.92	-63.59
CN(C[C@@H]1CCCCN1C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559393	0	55	0.0	-71.69	427.25	4.39	-67.30
C[C@@H](C(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024559400	0	54	0.0	-71.27	411.20	3.86	-67.41
CN(C[C@@H]1CCCCN1C(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024559403	0	45	0.0	-22.39	372.76	-0.87	-23.26
C[C@@H](C(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024559418	0	54	0.0	-71.27	411.20	3.86	-67.41
CN(C[C@@H]1CCCCN1C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559434	1	52	0.0	-70.92	403.35	3.70	-67.22
C[C@H](C(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024559442	0	54	0.0	-70.22	409.80	3.82	-66.40
CC1C[NH+](CC(=O)N2CCCC[C@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024559448	1	55	0.0	-72.26	426.84	4.62	-67.64
CC[N@H+](C)CC(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559462	0	54	0.0	-71.81	413.51	4.20	-67.61
CC[N@@H+](C)CC(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559462	1	54	0.0	-72.00	413.35	4.22	-67.78
CN(C[C@@H]1CCCCN1C(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559476	0	55	0.0	-78.53	430.82	4.73	-73.80
CC[N@@H+]1CCC1C(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559481	1	55	0.0	-71.40	426.90	4.45	-66.95
CC[N@H+]1CCC1C(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559481	1	55	0.0	-71.47	426.27	4.48	-66.99
CC(C[NH+](C)C)C(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559522	0	57	0.0	-70.74	432.33	4.60	-66.14
CC1CC[N@@H+]1CC(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559530	1	55	0.0	-70.52	427.05	4.59	-65.93
CC1CC[N@H+]1CC(=O)N1CCCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559530	1	55	0.0	-69.99	421.33	4.35	-65.64
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024559637	0	55	0.0	-70.81	409.28	3.85	-66.96
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024559637	1	55	0.0	-67.53	416.24	4.04	-63.49
CCC(C(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024559708	0	57	0.0	-67.27	422.74	4.42	-62.85
CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024559712	0	57	0.0	-70.65	435.57	4.93	-65.72
CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024559712	1	57	0.0	-69.69	435.00	4.95	-64.74
CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024559729	0	57	0.0	-72.74	435.89	4.83	-67.91
CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024559729	1	57	0.0	-72.55	435.89	4.82	-67.73
CC[C@@H](C(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024559769	0	57	0.0	-69.31	425.97	4.69	-64.62
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024559815	0	55	0.0	-66.56	416.52	4.30	-62.26
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024559815	1	55	0.0	-67.02	415.42	4.05	-62.97
C[C@@H](C(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024559869	0	54	0.0	-69.08	409.23	3.81	-65.27
CC1C[NH+](CC(=O)N(C)C[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024559893	1	55	0.0	-70.84	425.47	4.69	-66.15
CC[N@H+](C)CC(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024559911	0	54	0.0	-69.46	414.11	4.18	-65.28
CC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024559911	1	54	0.0	-70.23	413.73	4.24	-65.99
CC(C[NH+](C)C)C(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024559941	0	57	0.0	-69.89	433.12	4.71	-65.18
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300024559944	0	55	0.0	-70.03	416.86	4.02	-66.01
C[C@H](C(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024559948	0	54	0.0	-68.98	413.09	3.90	-65.08
CC[N@@H+]1CCC1C(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024559951	1	55	0.0	-68.21	420.18	4.24	-63.97
CC[N@H+]1CCC1C(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024559951	1	55	0.0	-69.85	425.73	4.43	-65.42
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024559959	0	57	0.0	-73.35	414.53	4.19	-69.16
CN(C[C@@H]1CCCCN1C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024560005	0	45	0.0	-23.16	372.78	-0.84	-24.00
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024560018	0	55	0.0	-70.69	410.16	3.84	-66.85
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024560018	1	55	0.0	-66.90	417.77	4.40	-62.50
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024560055	0	55	0.0	-67.29	424.70	4.93	-62.36
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024560055	1	55	0.0	-66.27	424.58	4.93	-61.34
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024560083	0	55	0.0	-71.20	427.22	4.42	-66.78
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024560086	0	51	0.0	-70.16	395.43	3.52	-66.64
C[C@@H](C(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024560089	0	54	0.0	-69.08	409.23	3.81	-65.27
CC1CC[N@@H+]1CC(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024560096	1	55	0.0	-67.45	421.49	4.34	-63.11
CC1CC[N@H+]1CC(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024560096	1	55	0.0	-67.77	421.56	4.37	-63.40
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024560097	0	55	0.0	-77.09	431.62	4.80	-72.29
CC[NH+](CC)CC(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024560103	0	57	0.0	-67.88	425.49	4.51	-63.37
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024560104	1	52	0.0	-69.64	404.83	3.90	-65.74
CC(C(=O)N(C)C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024560126	1	55	0.0	-67.57	421.47	4.42	-63.15
CN(C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024560190	0	55	0.0	-72.92	414.24	4.08	-68.84
CN(C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024560190	1	55	0.0	-66.23	418.88	4.28	-61.95
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300024560334	0	54	0.0	-68.04	409.82	2.62	-65.42
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300024560339	0	57	0.0	-66.89	427.61	3.03	-63.86
CC1(C)CC(NC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024560342	0	48	0.0	-21.70	387.22	-1.77	-23.47
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300024560352	0	57	0.0	-66.89	427.61	3.03	-63.86
CC1(C)CC(NC(=O)C[NH+]2CCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024560360	1	55	0.0	-67.66	419.77	3.07	-64.59
C[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300024560365	0	57	0.0	-64.88	427.62	3.02	-61.86
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300024560377	0	57	0.0	-67.18	428.01	3.30	-63.88
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300024560377	1	57	0.0	-67.23	427.56	3.28	-63.95
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300024560514	0	57	0.0	-73.57	426.56	2.91	-70.66
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300024560533	0	57	0.0	-67.69	427.54	3.19	-64.50
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300024560533	1	57	0.0	-68.11	428.09	3.21	-64.90
C[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300024560546	0	57	0.0	-66.00	426.53	2.88	-63.12
CC1(C)CC(NC(=O)CSC2=NC(=O)NN2)CCN(C(=O)CN=[N+]=[N-])C1	REAL300024560570	0	48	0.0	-22.02	386.35	-1.89	-23.91
C[NH+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300024560597	0	54	0.0	-68.38	409.41	2.50	-65.88
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300024560600	0	57	0.0	-73.57	426.56	2.91	-70.66
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCC2)C1	REAL300024560607	1	55	0.0	-68.10	420.10	3.00	-65.10
C[NH+](C)CC(=O)N1CCC(N(CCO)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024560725	0	52	0.0	-72.94	405.70	0.64	-72.30
[N-]=[N+]=NCC(=O)N1CCC(N(CCO)C(=O)CSC2=NC(=O)NN2)CC1	REAL300024560731	0	46	0.0	-26.12	382.61	-3.75	-29.87
O=C(CSC1=NNC(=O)[N-]1)N(CCO)C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024560745	1	53	0.0	-72.43	415.74	1.07	-71.36
[N-]=[N+]=NCC(=O)N(CCO)C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024560902	0	46	0.0	-25.38	382.60	-3.75	-29.13
C[NH+](C)CC(=O)N(CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024560920	0	52	0.0	-68.85	405.59	0.65	-68.20
O=C(C[NH+]1CCC1)N(CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024560928	1	53	0.0	-68.86	415.79	1.08	-67.78
C[NH+](C)CC(=O)NCC1CCC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024561044	0	54	0.0	-72.35	416.64	2.86	-69.49
C[C@@H](C(=O)NCC1CCC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024561049	0	57	0.0	-70.50	435.32	3.22	-67.28
CC1(C)CCC(CNC(=O)CN=[N+]=[N-])N(C(=O)CSC2=NC(=O)NN2)C1	REAL300024561052	0	48	0.0	-24.47	393.59	-1.55	-26.02
C[C@@H](C(=O)NCC1CCC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024561062	0	57	0.0	-70.50	435.32	3.22	-67.28
CC1(C)CCC(CNC(=O)C[NH+]2CCC2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024561070	1	55	0.0	-72.55	426.74	3.28	-69.27
C[C@H](C(=O)NCC1CCC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024561075	0	57	0.0	-70.71	435.10	3.27	-67.44
CC[N@H+](C)CC(=O)NCC1CCC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024561087	0	57	0.0	-71.70	435.00	3.52	-68.18
CC[N@@H+](C)CC(=O)NCC1CCC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024561087	1	57	0.0	-71.68	434.36	3.52	-68.16
C[C@@H](C(=O)N1CC(C)(C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024561217	0	57	0.0	-65.82	427.50	3.93	-61.89
CC[N@H+](C)CC(=O)N1CC(C)(C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024561235	0	57	0.0	-71.91	434.89	3.44	-68.47
CC[N@@H+](C)CC(=O)N1CC(C)(C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024561235	1	57	0.0	-71.99	434.88	3.44	-68.55
C[C@H](C(=O)N1CC(C)(C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024561244	0	57	0.0	-66.44	427.64	4.00	-62.44
CC1(C)CCC(CNC(=O)CSC2=NC(=O)NN2)N(C(=O)CN=[N+]=[N-])C1	REAL300024561265	0	48	0.0	-20.96	392.29	-0.66	-21.62
C[NH+](C)CC(=O)N1CC(C)(C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024561287	0	54	0.0	-68.38	415.34	3.72	-64.66
C[C@@H](C(=O)N1CC(C)(C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024561290	0	57	0.0	-65.82	427.50	3.93	-61.89
CC1(C)CCC(CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C[NH+]2CCC2)C1	REAL300024561296	1	55	0.0	-72.64	427.55	3.24	-69.40
C[NH+](C)CC(=O)N1CC2CCC1C1CN(C(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300024561360	0	53	0.0	-75.99	399.35	4.36	-71.63
[N-]=[N+]=NCC(=O)N1CC2CCC1C1CN(C(=O)CSC3=NC(=O)NN3)CC12	REAL300024561365	0	47	0.0	-24.35	376.32	-0.06	-24.41
[N-]=[N+]=NCC(=O)N1CC2C(C1)C1CCC2CN1C(=O)CSC1=NC(=O)NN1	REAL300024561430	0	47	0.0	-22.41	383.82	-0.21	-22.62
C[NH+](C)CC(=O)N1CC2C(C1)C1CCC2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024561439	0	53	0.0	-71.61	399.73	4.36	-67.25
C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024561631	0	50	0.0	-69.18	394.15	-1.46	-70.64
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024561631	1	50	0.0	-67.65	400.49	-0.94	-68.59
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024561782	1	48	0.0	-66.72	407.83	-0.75	-67.47
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)CC[N@@H+]1C	REAL300024561800	0	53	0.0	-73.18	414.94	-1.41	-74.59
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)CC[N@H+]1C	REAL300024561800	1	53	0.0	-72.28	421.20	-1.12	-73.40
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)CCC1	REAL300024561817	0	53	0.0	-72.97	406.44	-0.43	-73.40
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)C1CCC1	REAL300024561827	0	53	0.0	-68.63	420.28	-0.04	-68.67
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)C1CCC1	REAL300024561827	1	53	0.0	-68.97	420.40	-0.02	-68.99
C[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)CC1	REAL300024561848	0	53	0.0	-74.35	418.77	-0.37	-74.72
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024561854	0	53	0.0	-67.98	406.81	-0.58	-68.56
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024561854	1	53	0.0	-67.46	416.14	-0.42	-67.88
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024561871	1	48	0.0	-69.96	402.89	0.29	-69.67
C[N@@H+]1CCC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)C1	REAL300024561880	0	53	0.0	-72.45	420.97	-0.45	-72.90
C[N@H+]1CCC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)C1	REAL300024561880	1	53	0.0	-72.68	420.03	-0.43	-73.11
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)[NH+](C)C	REAL300024561883	0	52	0.0	-67.14	409.05	-1.37	-68.51
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024561899	0	52	0.0	-70.77	413.40	-0.61	-71.38
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024561899	1	52	0.0	-70.85	413.41	-0.60	-71.45
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024561913	0	50	0.0	-69.27	394.22	-1.45	-70.72
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024561913	1	50	0.0	-67.09	404.71	-1.28	-68.37
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024561925	0	52	0.0	-68.35	409.99	-1.29	-69.64
C[NH+](C)CC1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)CC1	REAL300024561977	0	53	0.0	-73.19	427.81	-0.46	-73.65
C[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)CC1	REAL300024561998	0	53	0.0	-74.35	418.77	-0.37	-74.72
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562035	0	52	0.0	-71.93	416.81	-1.03	-72.96
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562035	1	52	0.0	-72.08	416.81	-1.02	-73.10
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562043	0	53	0.0	-67.37	423.73	-0.58	-67.95
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562043	1	53	0.0	-67.40	412.93	-0.63	-68.03
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)C1	REAL300024562044	0	53	0.0	-69.68	420.40	-0.36	-70.04
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)C1	REAL300024562044	1	53	0.0	-69.93	422.08	-0.55	-70.48
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)[NH+](C)C	REAL300024562046	0	52	0.0	-68.54	406.95	-1.22	-69.76
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562077	0	46	0.0	-70.51	378.40	-2.36	-72.87
CN1C=C[N+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)=C1	REAL300024562078	0	48	0.0	-68.82	407.95	1.27	-67.55
C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)C1	REAL300024562081	0	53	0.0	-71.65	421.27	-0.63	-72.28
C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)C1	REAL300024562081	1	53	0.0	-65.27	415.01	-0.42	-65.69
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)[NH+]1CCC1	REAL300024562088	1	50	0.0	-67.78	406.59	-1.28	-69.06
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)C1CC1	REAL300024562096	0	50	0.0	-68.07	405.97	-0.83	-68.90
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)C1CC1	REAL300024562096	1	50	0.0	-68.43	406.12	-0.83	-69.26
C[NH+]1CC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)C1	REAL300024562106	0	50	0.0	-71.47	409.76	-1.55	-73.02
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)[NH+](C)C	REAL300024562117	0	49	0.0	-68.67	396.50	-1.96	-70.63
[N-]=[N+]=NCC(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)CC1O	REAL300024562124	0	40	0.0	-24.26	351.15	-6.43	-30.69
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)[NH+](C)C	REAL300024562155	0	49	0.0	-68.67	396.50	-1.96	-70.63
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562158	0	53	0.0	-69.12	409.34	-0.82	-69.94
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562158	1	53	0.0	-66.75	420.39	-0.76	-67.51
C[N@@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)C1	REAL300024562190	0	51	0.0	-74.05	415.59	-0.70	-74.75
C[N@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)C1	REAL300024562190	1	51	0.0	-73.89	412.08	-0.44	-74.33
C[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)[NH+](C)C	REAL300024562207	0	49	0.0	-69.31	392.30	-1.59	-70.90
CC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)C1	REAL300024562221	1	50	0.0	-70.09	409.66	-1.26	-71.35
C[N@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562234	1	50	0.0	-71.27	402.26	-4.59	-75.86
C[N@@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562234	1	50	0.0	-70.30	406.27	-4.95	-75.25
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562246	0	49	0.0	-69.74	396.13	-1.69	-71.43
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562246	1	49	0.0	-69.71	396.13	-1.70	-71.41
CC[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)C1CC1	REAL300024562256	0	53	0.0	-67.66	425.91	-0.19	-67.85
CC[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)C1CC1	REAL300024562256	1	53	0.0	-67.26	424.76	-0.39	-67.65
C[NH+](C)CC=CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562275	0	50	0.0	-74.20	412.67	-1.01	-75.21
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562292	1	50	0.0	-69.19	398.02	-1.15	-70.34
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562292	1	50	0.0	-69.54	405.83	-1.00	-70.54
C=CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)[NH+](C)C	REAL300024562311	0	53	0.0	-68.85	425.02	-0.70	-69.55
O=C(C[NH+]1CC2CC2C1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562318	0	51	0.0	-70.70	409.65	-0.11	-70.81
C[NH+](C)C(C)(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562323	0	52	0.0	-72.16	406.05	-1.26	-73.42
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562333	0	53	0.0	-67.98	406.81	-0.58	-68.56
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562333	1	53	0.0	-67.46	416.14	-0.42	-67.88
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)CC1	REAL300024562365	0	50	0.0	-72.46	401.57	-1.16	-73.62
O=C(CC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562366	0	53	0.0	-71.53	425.13	-0.76	-72.29
C[N@@H+]1CC2CC1(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1O)C2	REAL300024562376	1	51	0.0	-71.50	409.03	-1.12	-72.62
C[N@H+]1CC2CC1(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1O)C2	REAL300024562376	1	51	0.0	-71.08	411.08	-1.32	-72.40
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562410	0	52	0.0	-71.74	415.17	-0.97	-72.71
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O)[NH+]1CC(C)C1	REAL300024562429	1	53	0.0	-67.46	425.92	-0.64	-68.10
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562430	1	50	0.0	-67.89	404.23	-1.54	-69.43
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024562430	1	50	0.0	-69.45	405.50	-0.93	-70.38
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)C1	REAL300024562458	0	53	0.0	-71.04	423.75	-0.28	-71.32
C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024562618	0	50	0.0	-70.24	403.07	-1.61	-71.85
C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024562618	1	50	0.0	-66.69	396.33	-1.63	-68.32
C[N@@H+]1CCC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024562785	0	53	0.0	-72.05	423.06	-0.67	-72.72
C[N@H+]1CCC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024562785	1	53	0.0	-75.61	424.21	-0.84	-76.45
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)[NH+](C)C	REAL300024562788	0	52	0.0	-67.70	403.42	-1.35	-69.05
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024562800	0	52	0.0	-73.46	413.41	-0.71	-74.17
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024562800	1	52	0.0	-73.47	413.41	-0.71	-74.18
C[NH+](C)CC1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)CC1	REAL300024562836	0	53	0.0	-74.66	426.00	-0.93	-75.59
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024562841	0	52	0.0	-75.31	418.49	-1.21	-76.52
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024562841	1	52	0.0	-74.42	414.28	-0.85	-75.27
C[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)CC1	REAL300024562863	0	53	0.0	-75.69	418.54	-0.55	-76.24
C[NH+](C)C1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)CCC1	REAL300024562895	0	53	0.0	-73.04	403.31	-1.62	-74.66
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024562917	0	53	0.0	-70.67	424.40	-0.82	-71.49
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024562917	1	53	0.0	-70.43	419.48	-0.35	-70.78
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024562934	0	53	0.0	-73.09	423.71	-0.81	-73.90
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024562934	1	53	0.0	-68.80	422.80	-0.63	-69.43
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)[NH+](C)C	REAL300024562936	0	52	0.0	-70.24	402.75	-1.66	-71.90
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024562971	1	48	0.0	-66.66	405.08	-0.77	-67.43
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024562989	1	48	0.0	-68.82	405.40	-0.04	-68.86
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)CC[N@@H+]1C	REAL300024562990	0	53	0.0	-75.36	412.15	-1.09	-76.45
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)CC[N@H+]1C	REAL300024562990	1	53	0.0	-75.23	419.70	-1.26	-76.49
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)C1CCC1	REAL300024563017	0	53	0.0	-71.06	420.40	-0.15	-71.21
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)C1CCC1	REAL300024563017	1	53	0.0	-71.58	420.31	-0.16	-71.74
C[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)CC1	REAL300024563022	0	53	0.0	-75.69	418.54	-0.55	-76.24
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563034	0	50	0.0	-72.05	392.59	-1.57	-73.62
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563034	1	50	0.0	-70.51	400.16	-1.65	-72.16
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563074	0	53	0.0	-71.94	411.04	-1.25	-73.19
C[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563074	1	53	0.0	-69.56	418.17	-0.94	-70.50
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)CC[N@@H+]1C	REAL300024563102	0	53	0.0	-78.58	422.27	-0.94	-79.52
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)CC[N@H+]1C	REAL300024563102	1	53	0.0	-72.30	416.02	-1.41	-73.71
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)[NH+](C)C	REAL300024563139	0	49	0.0	-71.70	395.12	-2.07	-73.77
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCCC2)CC1O	REAL300024563156	0	53	0.0	-73.95	422.51	-0.36	-74.31
C[N@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563161	1	50	0.0	-74.04	402.27	-4.70	-78.74
C[N@@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563161	1	50	0.0	-73.15	402.06	-4.69	-77.84
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024563199	1	50	0.0	-69.66	408.02	-1.26	-70.92
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563228	0	49	0.0	-73.10	391.92	-1.47	-74.57
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563228	1	49	0.0	-73.03	391.91	-1.46	-74.49
CC[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)C1CC1	REAL300024563281	0	53	0.0	-70.44	427.49	-0.43	-70.87
CC[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)C1CC1	REAL300024563281	1	53	0.0	-72.29	419.74	-0.57	-72.86
C[N@@H+]1CC2CC1(C(=O)N1CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C1)C2	REAL300024563293	0	51	0.0	-78.09	401.18	-1.11	-79.20
C[N@H+]1CC2CC1(C(=O)N1CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C1)C2	REAL300024563293	1	51	0.0	-71.74	404.89	-1.43	-73.17
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563302	0	52	0.0	-73.80	413.36	-0.94	-74.74
C[NH+](C)C1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)CC1	REAL300024563308	0	50	0.0	-70.55	398.75	-1.76	-72.31
C[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)[NH+](C)C	REAL300024563317	0	49	0.0	-68.22	392.96	-2.00	-70.22
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563320	1	50	0.0	-71.43	399.99	-1.91	-73.34
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563320	1	50	0.0	-71.61	400.03	-1.96	-73.57
NC1=CC=[NH+]C=C1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563330	0	46	0.0	-72.60	389.29	-4.56	-77.16
C[NH+](C)C(C)(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563336	0	52	0.0	-72.36	399.20	-1.98	-74.34
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CC3CC3C2)CC1O	REAL300024563397	0	51	0.0	-73.16	409.65	-0.24	-73.40
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563403	0	53	0.0	-71.94	411.04	-1.25	-73.19
C[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563403	1	53	0.0	-69.56	418.17	-0.94	-70.50
C[N@@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024563424	0	51	0.0	-75.99	410.88	-0.53	-76.52
C[N@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024563424	1	51	0.0	-74.00	413.47	-0.71	-74.71
[N-]=[N+]=NCC(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)C(O)C1	REAL300024563431	0	40	0.0	-22.81	353.67	-6.75	-29.56
CCC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024563445	1	53	0.0	-75.04	431.10	-0.64	-75.68
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563450	0	50	0.0	-69.49	396.02	-1.36	-70.85
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563450	1	50	0.0	-67.58	395.40	-1.81	-69.39
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024563483	0	53	0.0	-74.15	423.17	-0.40	-74.55
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCCCC2)CC1O	REAL300024563521	0	53	0.0	-68.91	418.45	-0.48	-69.39
C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024563522	0	53	0.0	-73.44	418.23	-0.60	-74.04
C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024563522	1	53	0.0	-70.61	411.74	-0.74	-71.35
CN1C=C[N+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)=C1	REAL300024563523	0	48	0.0	-71.40	409.64	1.04	-70.36
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)C1CC1	REAL300024563533	0	50	0.0	-70.34	403.45	-0.72	-71.06
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)C1CC1	REAL300024563533	1	50	0.0	-67.26	406.08	-0.94	-68.20
C[NH+]1CC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024563582	0	50	0.0	-74.75	409.68	-1.61	-76.36
C[NH+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563588	0	46	0.0	-74.57	378.39	-2.48	-77.05
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)[NH+](C)C	REAL300024563596	0	49	0.0	-71.70	395.12	-2.07	-73.77
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)[NH+]1CC(C)C1	REAL300024563610	0	53	0.0	-71.53	427.36	-0.98	-72.51
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563611	1	50	0.0	-71.06	399.95	-1.32	-72.38
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563611	1	50	0.0	-67.48	402.46	-1.53	-69.01
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563613	0	50	0.0	-76.56	410.33	-0.87	-77.43
CC1(C)C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)C1	REAL300024563617	1	53	0.0	-73.97	428.79	-0.92	-74.89
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563629	0	52	0.0	-72.11	414.38	-1.12	-73.23
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC2)CC1O	REAL300024563634	1	47	0.0	-74.23	388.67	-2.02	-76.25
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)[NH+]1CCC1	REAL300024563673	1	50	0.0	-67.17	395.55	-1.79	-68.96
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563694	0	53	0.0	-71.59	407.78	-1.43	-73.02
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1	REAL300024563694	1	53	0.0	-66.27	416.96	-0.75	-67.02
C=CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C1)[NH+](C)C	REAL300024563713	0	53	0.0	-69.55	419.70	-1.09	-70.64
NC(=[NH2+])SCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024563734	0	44	0.0	-71.81	386.32	-5.42	-77.23
CCC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)C1	REAL300024563783	1	53	0.0	-71.36	426.83	-0.16	-71.52
C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024563787	0	50	0.0	-67.66	399.96	-0.99	-68.65
C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024563787	1	50	0.0	-69.96	394.21	-1.47	-71.43
O=C(C[NH+]1CCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024563793	0	53	0.0	-70.20	418.44	-0.37	-70.57
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)CC[N@@H+]1C	REAL300024563797	0	53	0.0	-70.77	412.94	-0.68	-71.45
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)CC[N@H+]1C	REAL300024563797	1	53	0.0	-71.62	411.82	-0.84	-72.46
C[N@@H+]1CCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024563998	0	49	0.0	-71.02	398.26	0.35	-70.67
C[N@H+]1CCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024563998	1	49	0.0	-70.53	398.50	0.31	-70.22
C[N@@H+]1CCOC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024564022	1	50	0.0	-82.48	415.88	0.21	-82.27
C[N@H+]1CCOC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024564022	1	50	0.0	-75.94	408.57	0.10	-75.84
CC(C)[N@@H+]1CCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564166	0	55	0.0	-69.32	431.12	2.08	-67.24
CC(C)[N@H+]1CCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564166	1	55	0.0	-66.97	437.29	1.92	-65.05
CC1=[NH+]C=CN1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564189	1	47	0.0	-68.90	407.77	1.41	-67.49
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024564209	0	53	0.0	-75.33	419.49	1.60	-73.73
C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024564237	0	52	0.0	-75.78	414.99	0.72	-75.06
C[C@@H]1[C@H](C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024564237	1	52	0.0	-72.09	420.53	1.25	-70.84
CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024564239	0	55	0.0	-72.40	434.90	1.51	-70.89
CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024564239	1	55	0.0	-70.39	439.30	2.00	-68.39
CC[N@@H+]1CCOC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024564244	1	53	0.0	-72.79	426.30	0.75	-72.04
CC[N@H+]1CCOC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024564244	1	53	0.0	-73.06	426.49	0.71	-72.35
CC1CCC(C)[NH+]1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564289	0	55	0.0	-67.81	435.48	1.82	-65.99
O=C(CCC[NH+]1CCCC1)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564291	0	55	0.0	-72.66	448.16	2.34	-70.32
O=C(CC[NH+]1CCCCC1)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564294	0	55	0.0	-72.47	442.34	2.23	-70.24
CC[N@@H+]1CCCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564297	0	55	0.0	-67.06	438.05	2.04	-65.02
CC[N@H+]1CCCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564297	1	55	0.0	-67.62	438.07	2.04	-65.58
C[NH+](C)C1(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024564307	0	52	0.0	-68.03	412.59	1.25	-66.78
CC(C)[C@@H](C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024564313	0	54	0.0	-68.64	422.57	1.34	-67.30
C[N@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024564331	0	52	0.0	-69.63	424.54	1.78	-67.85
C[N@@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024564331	1	52	0.0	-69.71	424.45	1.79	-67.92
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564385	1	51	0.0	-68.89	424.93	1.56	-67.33
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564385	1	51	0.0	-69.02	430.69	2.09	-66.93
C[N@@H+]1CCCC1CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564390	0	55	0.0	-73.67	441.89	2.16	-71.51
C[N@H+]1CCCC1CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564390	1	55	0.0	-71.66	440.22	1.83	-69.83
C[NH+]1CCC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024564406	0	52	0.0	-75.64	422.90	1.46	-74.18
C[N@@H+]1CCCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564433	0	52	0.0	-69.19	420.42	1.35	-67.84
C[N@H+]1CCCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564433	1	52	0.0	-69.42	410.98	1.22	-68.20
O=C(CC[NH+]1CCOCC1)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564486	1	53	0.0	-75.72	433.61	-0.20	-75.92
CC1=C[NH+]=CN1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564498	1	47	0.0	-71.08	408.10	2.14	-68.94
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C23CCC[NH+]2CCC3)C1	REAL300024564514	0	53	0.0	-72.03	422.99	1.80	-70.23
C[N@@H+]1CCC(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024564519	0	52	0.0	-73.86	425.12	1.36	-72.50
C[N@H+]1CCC(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024564519	1	52	0.0	-74.46	424.66	1.40	-73.06
CCC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024564525	0	51	0.0	-69.54	408.85	0.79	-68.75
C[NH+](C)CCCCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564572	0	54	0.0	-74.44	443.70	1.94	-72.50
CC(C)C(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024564583	0	54	0.0	-69.07	426.12	1.51	-67.56
CCC[N@H+](C)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564584	0	54	0.0	-73.79	439.91	1.77	-72.02
CCC[N@@H+](C)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564584	1	54	0.0	-73.80	439.93	1.76	-72.04
CCC[N@H+](C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564587	0	51	0.0	-71.58	417.56	1.21	-70.37
CCC[N@@H+](C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564587	1	51	0.0	-71.56	417.57	1.22	-70.34
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024564600	0	53	0.0	-77.82	419.20	1.13	-76.69
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024564600	1	53	0.0	-78.97	419.32	1.09	-77.88
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564622	0	49	0.0	-71.11	398.24	0.35	-70.76
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564622	1	49	0.0	-68.61	404.63	0.87	-67.74
CC[NH+](CC)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564649	0	51	0.0	-69.76	409.93	0.88	-68.88
CC1CC[NH+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024564702	0	55	0.0	-71.74	441.29	2.29	-69.45
C[NH+](C)CC1(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024564720	0	52	0.0	-74.46	428.98	1.51	-72.95
C[NH+]1CCC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024564766	0	52	0.0	-75.64	422.90	1.46	-74.18
CC(C)[C@H](C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024564781	0	54	0.0	-69.35	421.95	1.33	-68.02
CCC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024564808	0	57	0.0	-65.91	440.93	1.82	-64.09
CC[N@H+](C)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564838	0	51	0.0	-72.98	418.42	1.00	-71.98
CC[N@@H+](C)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564838	1	51	0.0	-73.07	418.43	1.01	-72.06
CC1CCC[N@@H+]1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564861	0	52	0.0	-68.27	417.03	1.16	-67.11
CC1CCC[N@H+]1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564861	1	52	0.0	-68.79	423.64	1.60	-67.19
CC1CC[N@H+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024564862	0	52	0.0	-70.59	424.52	1.45	-69.14
CC1CC[N@@H+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024564862	1	52	0.0	-71.11	423.81	1.43	-69.68
CC1(C)CC[N@H+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024564864	0	55	0.0	-71.34	443.63	2.00	-69.34
CC1(C)CC[N@@H+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024564864	1	55	0.0	-70.88	443.89	2.06	-68.82
C[N@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024564865	0	57	0.0	-71.51	446.17	2.21	-69.30
C[N@@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024564865	1	57	0.0	-71.21	448.12	2.35	-68.86
CC[C@@H](C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024564872	0	51	0.0	-68.73	408.75	0.80	-67.93
C[NH+](C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564944	0	45	0.0	-71.98	378.34	-0.20	-72.18
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[NH+]2CCCCCC2)C1	REAL300024564947	0	55	0.0	-70.79	429.65	1.85	-68.94
CN1C=C[N+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024564950	0	47	0.0	-69.92	409.57	3.31	-66.61
C[N@@H+]1CCCC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024564954	0	52	0.0	-72.82	422.97	1.38	-71.44
C[N@H+]1CCCC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024564954	1	52	0.0	-66.06	416.60	1.63	-64.43
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024564959	0	53	0.0	-69.58	430.90	1.76	-67.82
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024564959	1	53	0.0	-69.46	428.79	1.66	-67.80
CC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024564971	1	49	0.0	-68.98	406.55	0.86	-68.12
CCC(CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024564975	0	57	0.0	-73.83	449.37	2.28	-71.55
C[NH+](C)CC(C)(C)C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024564980	0	54	0.0	-69.12	427.48	1.66	-67.46
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[NH+]2CCC(O)CC2)C1	REAL300024564991	1	53	0.0	-75.67	431.53	-1.67	-77.34
C[N@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024564992	0	49	0.0	-68.73	407.60	1.21	-67.52
C[N@@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024564992	1	49	0.0	-69.19	407.74	1.21	-67.98
C[NH+]1CC(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565006	0	49	0.0	-72.55	409.78	0.62	-71.93
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565016	0	55	0.0	-68.36	439.75	1.47	-66.89
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565016	1	55	0.0	-68.53	425.01	0.59	-67.94
C[C@@H](C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024565026	0	48	0.0	-69.86	396.44	0.19	-69.67
[N-]=[N+]=NCC(=O)NCC1CC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024565033	0	39	0.0	-25.01	355.30	-4.60	-29.61
[NH2+]=C1SC=CN1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565075	0	45	0.0	-68.47	405.39	-0.01	-68.48
C[N@H+](CCO)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565080	0	52	0.0	-72.97	428.78	-2.21	-75.18
C[N@@H+](CCO)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565080	1	52	0.0	-72.49	428.74	-2.20	-74.69
C[C@@H](C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024565081	0	48	0.0	-69.86	396.44	0.19	-69.67
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565084	0	52	0.0	-69.93	411.05	1.18	-68.75
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565084	1	52	0.0	-68.73	420.30	1.39	-67.34
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[NH+]2CCC2)C1	REAL300024565129	1	46	0.0	-71.73	388.43	0.22	-71.51
C[N@@H+]1CCC(=CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565143	0	50	0.0	-75.30	417.18	1.34	-73.96
C[N@H+]1CCC(=CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565143	1	50	0.0	-75.90	416.29	1.33	-74.57
C[NH+](C)CCOCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565163	0	52	0.0	-72.82	434.21	0.86	-71.96
C=CCC(C)(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024565174	0	55	0.0	-65.55	433.80	1.82	-63.73
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565191	0	53	0.0	-76.29	425.98	-2.10	-78.39
CC1CN(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565208	0	49	0.0	-71.51	409.61	0.89	-70.62
CC1C[NH+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565208	1	49	0.0	-71.51	409.61	0.89	-70.62
CN(CCO)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565225	0	49	0.0	-71.88	406.42	-2.77	-74.65
C[N@H+](CCO)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565225	1	49	0.0	-71.87	406.20	-2.77	-74.64
C[N@@H+](CCO)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565225	1	49	0.0	-71.87	406.20	-2.77	-74.64
CC[N@@H+]1CCCC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565244	0	55	0.0	-71.25	440.65	2.04	-69.21
CC[N@H+]1CCCC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565244	1	55	0.0	-71.25	440.65	2.04	-69.21
CC(CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024565246	0	54	0.0	-73.81	435.52	1.80	-72.01
CC[N@H+](C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565249	0	48	0.0	-71.16	396.07	0.47	-70.69
CC[N@H+](CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024565273	0	52	0.0	-68.68	424.69	1.78	-66.90
CC[NH+](CC)CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565281	0	54	0.0	-72.39	431.94	1.44	-70.95
CC1(C)CN(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565295	0	52	0.0	-71.66	428.75	1.38	-70.28
CC1(C)C[NH+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565295	1	52	0.0	-71.66	428.75	1.38	-70.28
CC1(O)CC[N@H+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565311	0	53	0.0	-72.08	434.68	-1.85	-73.93
C[NH+](C)CC=CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565314	0	49	0.0	-75.78	415.56	1.05	-74.73
COCCN(C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565327	0	52	0.0	-71.77	428.46	-0.37	-72.14
COCC[N@H+](C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565327	1	52	0.0	-72.14	428.67	-0.37	-72.51
COCC[N@@H+](C)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565327	1	52	0.0	-72.14	428.67	-0.37	-72.51
C[NH+](C)C1(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024565344	0	55	0.0	-74.66	430.80	2.23	-72.43
CC(CCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024565346	0	54	0.0	-74.71	431.98	1.53	-73.18
CCN1CCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565352	0	49	0.0	-70.50	402.29	0.63	-69.87
CC[N@@H+]1CCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565352	1	49	0.0	-70.80	410.18	0.76	-70.04
CC[N@H+]1CCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565352	1	49	0.0	-70.80	410.18	0.76	-70.04
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[N@H+]2CCCC2CO)C1	REAL300024565362	0	53	0.0	-71.32	428.09	-2.19	-73.51
C[NH+]1CCC(C)(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024565378	0	55	0.0	-70.00	435.70	1.83	-68.17
C=CCC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024565394	0	52	0.0	-69.97	422.05	1.31	-68.66
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565401	0	55	0.0	-68.50	444.05	2.03	-66.47
C[N@H+]1CC(C)(C)CC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565401	1	55	0.0	-68.50	444.05	2.03	-66.47
C[NH+](C)CCCCCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565403	0	57	0.0	-74.12	465.20	2.73	-71.39
CCCC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024565420	0	54	0.0	-69.59	430.24	1.58	-68.01
C[NH+](C)C(C)(C)C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565423	0	51	0.0	-74.26	406.04	0.92	-73.34
C[N@@H+]1CCCCC1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565446	0	52	0.0	-69.42	410.98	1.22	-68.20
C[N@H+]1CC=C(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024565465	0	53	0.0	-70.64	437.54	2.09	-68.55
C[N@@H+]1CC=C(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024565465	1	53	0.0	-70.64	437.54	2.09	-68.55
O=C(C=CC[NH+]1CCCC1)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565495	0	53	0.0	-74.61	440.64	2.22	-72.39
O=C(CC[NH+]1CCCC1)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565522	0	52	0.0	-72.57	426.67	1.53	-71.04
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024565543	0	52	0.0	-76.90	414.79	-1.76	-78.66
C[N@@H+]1CC2CC1(C(=O)NCC1CC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024565547	0	50	0.0	-71.30	410.84	0.73	-70.57
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024565552	0	53	0.0	-68.86	422.64	1.71	-67.15
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024565552	1	53	0.0	-68.86	422.64	1.71	-67.15
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)CN2CC3C=CC2C3)C1	REAL300024565587	0	51	0.0	-68.38	417.09	1.66	-66.72
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024565587	1	51	0.0	-69.96	418.07	1.74	-68.22
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024565587	1	51	0.0	-69.96	418.07	1.74	-68.22
CC(C[NH+](C)C)C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565617	0	51	0.0	-72.71	416.74	1.08	-71.63
C[N@@H+]1CCCCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565656	0	55	0.0	-74.17	437.66	1.96	-72.21
C[N@H+]1CCCCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565656	1	55	0.0	-74.17	437.66	1.96	-72.21
CC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300024565665	0	52	0.0	-68.88	427.55	1.49	-67.39
CC(C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024565665	1	52	0.0	-68.88	427.55	1.49	-67.39
CC1CCN1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565667	0	49	0.0	-69.86	404.24	0.57	-69.29
CC1CC[N@@H+]1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565667	1	49	0.0	-70.90	409.78	0.84	-70.06
CC1CC[N@H+]1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565667	1	49	0.0	-70.90	409.78	0.84	-70.06
C[NH+](C)CC(O)CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565669	0	52	0.0	-76.70	431.04	-1.20	-77.90
CC1CN(C)CC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024565686	0	53	0.0	-76.88	429.85	0.79	-76.09
CC1C[N@H+](C)CC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024565686	1	53	0.0	-81.78	437.00	0.94	-80.84
CC1C[N@@H+](C)CC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024565686	1	53	0.0	-81.78	437.00	0.94	-80.84
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565724	0	52	0.0	-73.06	427.87	1.52	-71.54
CC(CC[NH+](C)C)C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565728	0	54	0.0	-73.39	438.38	1.71	-71.68
CN1CCN(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024565743	0	54	0.0	-72.45	437.37	-0.69	-73.14
C[NH+]1CCN(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024565743	1	54	0.0	-72.45	437.37	-0.69	-73.14
C[N@@H+]1CCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024565913	0	49	0.0	-68.53	403.41	0.84	-67.69
CN1CCOC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565939	0	50	0.0	-83.95	415.73	0.25	-83.70
C[N@@H+]1CCOC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565939	1	50	0.0	-76.02	408.70	0.04	-75.98
C[N@H+]1CCOC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024565939	1	50	0.0	-76.02	408.70	0.04	-75.98
O=C(CCN1CCOCC1)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566087	0	53	0.0	-77.77	433.61	-0.20	-77.97
O=C(CC[NH+]1CCOCC1)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566087	1	53	0.0	-77.77	433.61	-0.20	-77.97
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024566095	0	53	0.0	-71.96	423.06	1.74	-70.22
C[N@@H+]1CCC(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024566118	0	52	0.0	-73.86	424.64	1.37	-72.49
C[N@H+]1CCC(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024566118	1	52	0.0	-73.86	424.64	1.37	-72.49
CCC(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024566124	0	51	0.0	-69.47	412.20	1.37	-68.10
C[NH+](C)CCCCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566156	0	54	0.0	-75.75	443.70	1.93	-73.82
CC(C)C(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024566169	0	54	0.0	-70.07	422.05	1.20	-68.87
CCC[N@H+](C)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566170	0	54	0.0	-75.68	439.93	1.76	-73.92
CCC[N@@H+](C)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566170	1	54	0.0	-75.66	439.93	1.77	-73.89
CCC[N@H+](C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566173	0	51	0.0	-73.55	417.57	1.21	-72.34
CCC[N@@H+](C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566173	1	51	0.0	-73.55	417.57	1.22	-72.33
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024566186	0	53	0.0	-74.21	419.95	1.04	-73.17
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024566186	1	53	0.0	-72.73	420.74	0.97	-71.76
CC1CC[NH+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024566211	0	55	0.0	-73.96	441.29	2.29	-71.67
C[NH+](C)CC1(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024566248	0	52	0.0	-71.91	430.64	1.51	-70.40
CC[N@H+](C)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566265	0	51	0.0	-74.85	418.43	1.02	-73.83
CC[N@@H+](C)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566265	1	51	0.0	-74.76	418.43	1.02	-73.74
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024566277	0	53	0.0	-79.29	419.51	1.60	-77.69
C[NH+]1CCC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024566315	0	52	0.0	-77.20	422.88	1.47	-75.73
CC(C)[C@H](C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024566330	0	54	0.0	-71.17	427.57	1.98	-69.19
C[NH+](C)C1(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024566393	0	52	0.0	-67.51	412.60	1.25	-66.26
CCC(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024566420	0	57	0.0	-65.32	441.83	2.23	-63.09
CC1CCC[N@@H+]1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566429	0	52	0.0	-68.41	417.12	1.13	-67.28
CC1CCC[N@H+]1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566429	1	52	0.0	-70.06	417.03	1.18	-68.88
CC(C)[N@@H+]1CCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566456	0	55	0.0	-66.94	437.31	1.89	-65.05
CC(C)[N@H+]1CCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566456	1	55	0.0	-71.16	430.78	2.06	-69.10
CC(C)[C@@H](C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024566463	0	54	0.0	-70.83	426.13	1.51	-69.32
CC1CC[N@H+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024566473	0	52	0.0	-70.73	424.66	1.41	-69.32
CC1CC[N@@H+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024566473	1	52	0.0	-70.96	424.54	1.52	-69.44
CC1(C)CC[N@H+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024566475	0	55	0.0	-70.88	443.48	2.01	-68.87
CC1(C)CC[N@@H+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024566475	1	55	0.0	-71.11	444.04	2.00	-69.11
C[N@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024566476	0	57	0.0	-73.55	446.17	2.21	-71.34
C[N@@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024566476	1	57	0.0	-73.27	448.48	2.37	-70.90
CC[C@@H](C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024566483	0	51	0.0	-70.65	408.99	0.80	-69.85
CC1=[NH+]C=CN1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566563	1	47	0.0	-70.13	407.74	1.41	-68.72
CC[N@@H+]1CCOC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024566606	1	53	0.0	-73.01	426.44	0.68	-72.33
CC[N@H+]1CCOC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024566606	1	53	0.0	-76.01	426.39	0.73	-75.28
CC1=C[NH+]=CN1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566626	1	47	0.0	-73.20	407.04	2.11	-71.09
C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024566631	0	52	0.0	-73.61	415.92	0.98	-72.63
C[C@@H]1[C@H](C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024566631	1	52	0.0	-74.17	420.37	1.31	-72.86
CC[C@@H]1[C@@H](C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024566633	0	55	0.0	-73.29	435.12	1.45	-71.84
CC[C@@H]1[C@@H](C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024566633	1	55	0.0	-70.33	439.49	1.96	-68.37
CC1CCC(C)[NH+]1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566638	0	55	0.0	-69.84	435.48	1.82	-68.02
O=C(CCC[NH+]1CCCC1)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566640	0	55	0.0	-74.06	447.43	2.27	-71.79
O=C(CC[NH+]1CCCCC1)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566644	0	55	0.0	-74.41	441.89	2.20	-72.21
CC[N@@H+]1CCCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566647	0	55	0.0	-69.31	438.10	2.03	-67.28
CC[N@H+]1CCCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566647	1	55	0.0	-68.82	438.09	2.05	-66.77
C[N@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024566727	0	52	0.0	-71.32	424.44	1.78	-69.54
C[N@@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024566727	1	52	0.0	-71.71	424.58	1.79	-69.92
C[NH+]1CCC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024566751	0	52	0.0	-77.20	422.88	1.47	-75.73
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566773	0	49	0.0	-72.21	398.24	0.35	-71.86
C[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566773	1	49	0.0	-68.78	403.55	0.81	-67.97
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566790	1	51	0.0	-69.62	425.08	1.53	-68.09
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566790	1	51	0.0	-69.35	430.84	2.05	-67.30
C[N@@H+]1CCCC1CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566795	0	55	0.0	-74.13	445.92	2.25	-71.88
C[N@H+]1CCCC1CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566795	1	55	0.0	-73.00	440.15	1.82	-71.18
C[N@@H+]1CCCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566858	0	52	0.0	-70.74	410.96	1.23	-69.51
C[N@H+]1CCCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566858	1	52	0.0	-69.83	420.28	1.40	-68.43
CC1C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024566907	0	52	0.0	-70.36	419.70	0.98	-69.38
CC1C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024566907	1	52	0.0	-74.18	420.38	1.29	-72.89
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566957	0	55	0.0	-69.07	422.37	1.33	-67.74
CC(C)(C)[N@H+]1CCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566957	1	55	0.0	-69.92	439.83	1.53	-68.39
C[C@@H](C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024566970	0	48	0.0	-71.80	396.45	0.20	-71.60
C=CCC(C)(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024566982	0	55	0.0	-66.93	433.75	1.82	-65.11
O=C(CC[NH+]1CCCC1)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024566994	0	52	0.0	-74.42	426.67	1.53	-72.89
C[N@H+](CCO)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567002	1	49	0.0	-74.14	406.42	-2.77	-76.91
C[N@@H+](CCO)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567002	1	49	0.0	-73.71	406.20	-2.77	-76.48
C[N@H+]1CC=C(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024567048	0	53	0.0	-71.62	437.58	2.09	-69.53
C[N@@H+]1CC=C(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024567048	1	53	0.0	-70.95	437.48	2.13	-68.82
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567066	0	53	0.0	-74.29	426.29	-1.88	-76.17
C[N@H+]1CC(O)CC1(C)C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567066	1	53	0.0	-76.14	426.33	-1.88	-78.02
CC1C[NH+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024567092	1	49	0.0	-71.75	409.42	0.84	-70.91
CC[N@@H+]1CCCC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024567098	0	55	0.0	-70.96	440.64	2.05	-68.91
CC[N@H+]1CCCC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024567098	1	55	0.0	-70.76	440.71	2.03	-68.73
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024567109	0	53	0.0	-74.11	431.24	1.89	-72.22
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024567109	1	53	0.0	-68.83	428.99	1.62	-67.21
O=C(C=CC[NH+]1CCCC1)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567130	0	53	0.0	-76.47	440.64	2.23	-74.24
CC[N@H+](C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567167	0	48	0.0	-73.18	396.07	0.46	-72.72
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)CN2CC3C=CC2C3)C1	REAL300024567196	0	51	0.0	-69.94	417.76	1.74	-68.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024567196	1	51	0.0	-69.93	417.75	1.74	-68.19
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024567196	1	51	0.0	-69.93	417.75	1.74	-68.19
COCCN(C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567271	0	52	0.0	-73.51	428.46	-0.37	-73.88
COCC[N@H+](C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567271	1	52	0.0	-74.42	428.68	-0.37	-74.79
COCC[N@@H+](C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567271	1	52	0.0	-74.42	428.68	-0.37	-74.79
CC(CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024567274	0	54	0.0	-76.44	431.69	1.54	-74.90
CC[N@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024567287	0	52	0.0	-70.57	424.39	1.82	-68.75
C[N@@H+]1CC2CC1(C(=O)NC1CC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024567312	0	50	0.0	-76.55	408.55	1.12	-75.43
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024567319	0	53	0.0	-68.81	422.62	1.67	-67.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024567319	1	53	0.0	-68.81	422.62	1.67	-67.14
CC(C[NH+](C)C)C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567332	0	51	0.0	-72.94	416.92	1.04	-71.90
CCN1CCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567360	0	49	0.0	-70.66	410.16	0.78	-69.88
CC[N@@H+]1CCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567360	1	49	0.0	-70.16	400.81	0.54	-69.62
CC[N@H+]1CCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567360	1	49	0.0	-70.16	400.81	0.54	-69.62
CCC(C)(C)[NH2+]C(C)C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567366	0	57	0.0	-68.29	443.83	0.34	-67.95
CCCC(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024567396	0	54	0.0	-72.21	432.46	1.71	-70.50
C[NH+](C)C(C)(C)C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567400	0	51	0.0	-76.73	405.81	0.98	-75.75
CC(CC[NH+](C)C)C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567413	0	54	0.0	-73.55	438.49	1.66	-71.89
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567461	0	55	0.0	-68.45	444.05	1.99	-66.46
C[N@H+]1CC(C)(C)CC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567461	1	55	0.0	-68.45	444.05	1.99	-66.46
C[NH+](C)CCCCCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567463	0	57	0.0	-75.12	465.20	2.72	-72.40
CN1CCN(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024567470	0	54	0.0	-74.11	437.74	-0.68	-74.79
C[NH+]1CCN(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024567470	1	54	0.0	-74.11	437.74	-0.68	-74.79
CC1CN(C)CC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024567511	0	53	0.0	-76.47	429.88	0.78	-75.69
CC1C[N@H+](C)CC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024567511	1	53	0.0	-81.97	437.02	0.94	-81.03
CC1C[N@@H+](C)CC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024567511	1	53	0.0	-81.97	437.02	0.94	-81.03
C[N@@H+]1CCCCC1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567555	0	52	0.0	-69.83	420.28	1.40	-68.43
C[N@@H+]1CCC(=CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024567613	0	50	0.0	-76.55	417.18	1.35	-75.20
C[N@H+]1CCC(=CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024567613	1	50	0.0	-76.55	417.18	1.35	-75.20
O=C(CNC1=CC=[NH+]C=C1)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567615	0	48	0.0	-73.12	414.06	-0.93	-74.05
C[NH+](C)C1(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024567665	0	55	0.0	-76.61	430.58	2.26	-74.35
CCC1CN(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024567672	0	52	0.0	-74.37	431.01	1.66	-72.71
CCC1C[NH+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024567672	1	52	0.0	-74.37	431.01	1.66	-72.71
C[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567681	0	49	0.0	-71.33	398.45	0.30	-71.03
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024567759	0	52	0.0	-73.35	427.95	1.49	-71.86
C[NH+](C)CCC1(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024567767	0	55	0.0	-77.19	452.72	2.37	-74.82
C[N@@H+]1CC=CCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567768	0	53	0.0	-67.30	424.49	1.79	-65.51
C[N@H+]1CC=CCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567768	1	53	0.0	-67.30	424.49	1.79	-65.51
C[NH+](C)CCOCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567796	0	52	0.0	-73.33	434.21	0.85	-72.48
[NH2+]=C1SC=CN1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567820	0	45	0.0	-68.48	405.54	-0.07	-68.55
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[NH+]2CCCCC2)C1	REAL300024567875	0	52	0.0	-72.98	420.04	1.67	-71.31
C[N@@H+]1CCCC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024567876	0	52	0.0	-72.56	423.03	1.38	-71.18
C[N@H+]1CCCC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024567876	1	52	0.0	-65.88	416.74	1.59	-64.29
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[NH+]2CCCCCC2)C1	REAL300024567877	0	55	0.0	-72.71	429.30	1.85	-70.86
CN1C=C[N+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024567880	0	47	0.0	-69.94	409.66	3.27	-66.67
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[NH+]2CCC(O)CC2)C1	REAL300024567899	1	53	0.0	-77.29	431.15	-1.68	-78.97
C[N@@H+](CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024567900	1	49	0.0	-70.63	407.61	1.20	-69.43
CCOCC(N=[N+]=[N-])C(=O)NC1CC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024567915	0	49	0.0	-25.08	431.52	-3.92	-29.00
CC(CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024567918	0	54	0.0	-77.49	435.48	1.78	-75.71
CN1CCOCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567935	0	53	0.0	-69.39	421.53	-0.56	-69.95
C[N@@H+]1CCOCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567935	1	53	0.0	-79.23	428.90	-0.39	-79.62
C[N@H+]1CCOCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024567935	1	53	0.0	-69.39	421.53	-0.56	-69.95
CC1(O)CC[N@@H+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024567996	1	53	0.0	-72.21	434.81	-1.84	-74.05
C[NH+]1CC(CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024568017	0	49	0.0	-74.45	409.78	0.62	-73.83
C[NH+](C)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568026	0	45	0.0	-73.87	378.34	-0.20	-74.07
C[N@H+](CCO)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568040	0	52	0.0	-74.51	428.79	-2.20	-76.71
C[N@@H+](CCO)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568040	1	52	0.0	-74.34	428.74	-2.21	-76.55
C[C@@H](C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024568041	0	48	0.0	-71.80	396.45	0.20	-71.60
C[N@@H+]1CCCCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568055	0	55	0.0	-74.19	437.66	1.94	-72.25
C[N@H+]1CCCCC1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568055	1	55	0.0	-66.24	430.17	1.81	-64.43
CC(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024568065	0	52	0.0	-70.73	425.80	1.53	-69.20
CC1CCN1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568067	0	49	0.0	-69.53	404.85	0.64	-68.89
CC1CC[N@@H+]1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568067	1	49	0.0	-71.34	404.12	0.63	-70.71
CC1CC[N@H+]1CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568067	1	49	0.0	-69.53	404.85	0.64	-68.89
C[NH+](C)CC=CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568073	0	49	0.0	-76.01	415.68	1.01	-75.00
CC1(C)C[NH+](CC(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024568078	1	52	0.0	-73.65	428.91	1.42	-72.23
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[N@@H+]2CCCC2CO)C1	REAL300024568112	1	53	0.0	-70.59	431.66	-1.64	-72.23
CC[NH+](CC)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568114	0	51	0.0	-71.80	409.93	0.88	-70.92
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C[NH+]2CCC2)C1	REAL300024568123	1	46	0.0	-71.90	388.75	0.23	-71.67
CC[NH+](CC)CCC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568151	0	54	0.0	-74.25	431.94	1.44	-72.81
CC(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024568201	1	49	0.0	-70.93	406.55	0.89	-70.04
CCC(CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024568206	0	57	0.0	-78.94	453.28	2.41	-76.53
C[NH+](C)CC(C)(C)C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568211	0	54	0.0	-73.60	425.54	1.48	-72.12
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568240	0	52	0.0	-71.18	410.93	1.23	-69.95
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568240	1	52	0.0	-67.95	420.40	1.36	-66.59
C[NH+](C)CC(O)CC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568259	0	52	0.0	-78.21	430.82	-1.17	-79.38
C=CCC(C(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024568279	0	52	0.0	-70.34	422.01	1.29	-69.05
C[NH+]1CCC(C)(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024568290	0	55	0.0	-71.82	435.66	1.84	-69.98
NC(=[NH2+])SCC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568311	0	43	0.0	-73.22	386.26	-3.24	-76.46
C[NH+](C)CCC1(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024568334	0	55	0.0	-76.81	452.78	2.36	-74.45
C[N@@H+]1CC=CCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568335	0	53	0.0	-74.67	429.67	1.81	-72.86
C[N@H+]1CC=CCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568335	1	53	0.0	-66.07	424.59	1.75	-64.32
CCC1CN(CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024568416	0	52	0.0	-72.30	431.00	1.66	-70.64
CCC1C[NH+](CC(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024568416	1	52	0.0	-72.30	431.00	1.66	-70.64
C[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568421	0	49	0.0	-70.17	398.37	0.35	-69.82
CC1C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024568443	0	52	0.0	-70.58	419.64	0.95	-69.63
CC1C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024568443	1	52	0.0	-70.58	419.64	0.95	-69.63
CN1CCOCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568471	0	53	0.0	-69.67	421.54	-0.56	-70.23
C[N@@H+]1CCOCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568471	1	53	0.0	-68.54	421.58	-0.57	-69.11
C[N@H+]1CCOCC1CC(=O)NCC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024568471	1	53	0.0	-68.54	421.58	-0.57	-69.11
C[N@@H+]1CCCC1C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568628	0	53	0.0	-73.37	411.16	3.04	-70.33
CCC(C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1)[NH+](C)C	REAL300024568731	0	55	0.0	-71.84	421.58	3.48	-68.36
CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568736	0	55	0.0	-75.04	431.88	3.94	-71.10
CCC[N@@H+](C)CC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568736	1	55	0.0	-75.04	431.88	3.94	-71.10
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568744	0	53	0.0	-71.42	413.48	3.35	-68.07
CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568749	0	55	0.0	-72.94	424.20	3.60	-69.34
CC[N@H+](C)CCC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568807	0	55	0.0	-76.18	432.75	3.78	-72.40
CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568807	1	55	0.0	-76.18	432.75	3.78	-72.40
CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1)[NH+](C)C	REAL300024568810	0	55	0.0	-71.54	420.93	3.41	-68.13
CC(C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1)N1CCC1	REAL300024568832	0	53	0.0	-72.08	416.99	3.32	-68.76
CC(C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1)[NH+]1CCC1	REAL300024568832	1	53	0.0	-72.08	416.99	3.32	-68.76
C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1)C1CC1	REAL300024568839	0	53	0.0	-72.47	422.09	3.94	-68.53
C[NH+]1CC(CC(=O)N2C[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@]3(C)C2)C1	REAL300024568845	0	53	0.0	-75.27	424.06	3.36	-71.91
C[C@@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]1CN(C(=O)CN1CCC1)C2	REAL300024568892	0	50	0.0	-74.98	403.17	3.02	-71.96
C[C@@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]1CN(C(=O)C[NH+]1CCC1)C2	REAL300024568892	1	50	0.0	-74.98	403.17	3.02	-71.96
CC1CN(CC(=O)N2C[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@]3(C)C2)C1	REAL300024568910	0	53	0.0	-75.30	422.69	3.68	-71.62
CC1C[NH+](CC(=O)N2C[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@]3(C)C2)C1	REAL300024568910	1	53	0.0	-75.30	422.69	3.68	-71.62
CN(CCO)CC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568921	0	53	0.0	-75.44	420.69	-0.05	-75.49
C[N@H+](CCO)CC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568921	1	53	0.0	-75.22	420.51	-0.04	-75.26
C[N@@H+](CCO)CC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568921	1	53	0.0	-75.22	420.51	-0.04	-75.26
CC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568928	0	52	0.0	-74.67	410.34	3.19	-71.48
C[NH+](C)CC=CC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568946	0	53	0.0	-78.58	428.81	3.73	-74.85
CCN1CCC1C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568952	0	53	0.0	-74.05	423.81	3.47	-70.58
CC[N@@H+]1CCC1C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568952	1	53	0.0	-72.14	415.55	3.11	-69.03
CC[N@H+]1CCC1C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568952	1	53	0.0	-72.14	415.55	3.11	-69.03
C[NH+](C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024568966	0	55	0.0	-75.20	412.93	2.90	-72.30
CC(C[NH+](C)C)C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024569011	0	55	0.0	-75.59	427.19	3.54	-72.05
CC1CCN1CC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024569022	0	53	0.0	-73.43	424.33	3.62	-69.81
CC1CC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024569022	1	53	0.0	-73.65	423.95	3.61	-70.04
CC1CC[N@H+]1CC(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024569022	1	53	0.0	-73.65	423.95	3.61	-70.04
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569137	0	53	0.0	-73.57	411.32	3.05	-70.52
CCC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)[NH+](C)C	REAL300024569211	0	55	0.0	-71.77	421.66	3.50	-68.27
CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569215	0	55	0.0	-74.83	431.82	3.92	-70.91
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569215	1	55	0.0	-75.07	432.10	3.98	-71.09
CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569232	0	55	0.0	-75.90	432.81	3.74	-72.16
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569232	1	55	0.0	-75.97	432.81	3.75	-72.22
CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)[NH+](C)C	REAL300024569273	0	55	0.0	-72.73	423.48	3.55	-69.18
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569319	0	53	0.0	-73.38	411.01	3.04	-70.34
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569319	1	53	0.0	-71.54	416.56	3.42	-68.12
C[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)[NH+](C)C	REAL300024569374	0	52	0.0	-72.98	409.76	2.91	-70.07
C[N@H+](CCO)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569384	1	53	0.0	-75.36	420.66	-0.06	-75.42
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569384	1	53	0.0	-75.11	420.45	-0.05	-75.16
CC1C[NH+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@]3(C)C2)C1	REAL300024569400	1	53	0.0	-74.64	424.01	3.60	-71.04
CC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569418	0	52	0.0	-74.52	410.76	3.20	-71.32
CC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569418	1	52	0.0	-74.73	410.60	3.24	-71.49
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569451	0	55	0.0	-75.58	427.16	3.52	-72.06
C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@]3(C)C2)CC1	REAL300024569454	0	53	0.0	-75.53	418.39	3.10	-72.43
C[C@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)[NH+](C)C	REAL300024569458	0	52	0.0	-72.98	409.22	2.88	-70.10
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569461	1	53	0.0	-72.64	414.33	3.06	-69.58
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569461	1	53	0.0	-74.24	423.84	3.47	-70.77
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569470	0	55	0.0	-76.01	413.28	3.47	-72.54
C[C@@]12CN(C(=O)CN=[N+]=[N-])C[C@@H]1CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300024569519	0	43	0.0	-25.40	369.79	-1.86	-27.26
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569532	0	53	0.0	-70.66	414.44	3.31	-67.35
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569532	1	53	0.0	-73.36	410.93	3.03	-70.33
C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)C1CC1	REAL300024569569	0	53	0.0	-71.75	421.88	3.92	-67.83
C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)C1CC1	REAL300024569569	1	53	0.0	-72.31	422.02	3.93	-68.38
C[NH+]1CC(CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@]3(C)C2)C1	REAL300024569597	0	53	0.0	-75.10	424.15	3.35	-71.75
C[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569600	0	49	0.0	-75.75	393.15	2.51	-73.24
C[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)[NH+](C)C	REAL300024569603	0	52	0.0	-72.98	409.76	2.91	-70.07
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569612	1	53	0.0	-72.49	418.37	3.33	-69.16
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569612	1	53	0.0	-73.47	423.89	3.59	-69.88
C[NH+](C)CC=CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569613	0	53	0.0	-78.41	428.66	3.76	-74.65
CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024569619	0	55	0.0	-72.93	428.80	3.88	-69.05
C[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1CN(C(=O)C[NH+]1CCC1)C2	REAL300024569620	1	50	0.0	-74.94	402.91	2.99	-71.95
CC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1)[NH+]1CCC1	REAL300024569643	1	53	0.0	-71.83	416.57	3.26	-68.57
C[C@]12CN(C(=O)CSC(N)=[NH2+])C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024569683	0	47	0.0	-76.33	401.38	-0.55	-76.88
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024569715	0	53	0.0	-71.59	415.49	3.37	-68.22
C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]2(C)C1	REAL300024569715	1	53	0.0	-73.39	411.14	3.04	-70.35
C[NH+](C)CC(=O)N1CCC(C(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024569767	0	57	0.0	-70.91	432.08	3.05	-67.86
CC(C)(CNC(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])CC1	REAL300024569772	0	51	0.0	-23.77	409.06	-1.36	-25.13
CC(C)(CNC(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024569831	0	51	0.0	-23.42	409.08	-1.25	-24.67
C[NH+](C)CC(=O)NCC(C)(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024569838	0	57	0.0	-73.04	432.10	3.15	-69.89
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCC[N@@H+]1C	REAL300024570037	0	52	0.0	-69.48	414.20	1.87	-67.61
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCC[N@H+]1C	REAL300024570037	1	52	0.0	-66.44	420.37	2.30	-64.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1C[N@H+](C)CCO1	REAL300024570061	1	53	0.0	-79.78	431.57	1.80	-77.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1C[N@@H+](C)CCO1	REAL300024570061	1	53	0.0	-77.45	432.04	1.79	-75.66
CC1=[NH+]C=CN1CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570200	1	50	0.0	-68.37	424.24	2.93	-65.44
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300024570218	0	55	0.0	-71.36	431.73	2.54	-68.82
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300024570218	1	55	0.0	-71.82	437.80	2.56	-69.26
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1	REAL300024570238	0	55	0.0	-74.22	430.74	2.66	-71.56
CC(C)[C@@H](C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024570240	0	57	0.0	-68.66	444.98	3.52	-65.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1	REAL300024570249	0	55	0.0	-69.05	440.44	3.38	-65.67
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1	REAL300024570249	1	55	0.0	-69.35	440.42	3.37	-65.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1	REAL300024570273	0	55	0.0	-77.14	438.76	3.07	-74.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCCC[N@@H+]1C	REAL300024570279	0	55	0.0	-68.53	426.87	2.75	-65.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCCC[N@H+]1C	REAL300024570279	1	55	0.0	-68.95	426.86	2.75	-66.20
CC1=C[NH+]=CN1CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570296	1	50	0.0	-69.88	424.60	3.66	-66.22
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)CC1CC[N@H+](C)C1	REAL300024570306	0	55	0.0	-73.48	440.32	3.04	-70.44
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)CC1CC[N@@H+](C)C1	REAL300024570306	1	55	0.0	-73.46	441.72	2.89	-70.57
CCC(C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024570309	0	54	0.0	-67.66	425.61	2.29	-65.37
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)CCCC[NH+](C)C	REAL300024570323	0	57	0.0	-73.45	459.57	3.47	-69.98
CC(C)C(C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024570326	0	57	0.0	-71.27	443.68	3.63	-67.64
CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570327	0	57	0.0	-72.81	455.80	3.29	-69.52
CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570327	1	57	0.0	-72.86	455.81	3.28	-69.58
CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570328	0	54	0.0	-70.54	433.21	2.86	-67.68
CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570328	1	54	0.0	-71.01	433.44	2.74	-68.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300024570343	0	52	0.0	-68.27	421.11	2.39	-65.88
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300024570343	1	52	0.0	-72.18	414.25	1.94	-70.24
CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570355	0	54	0.0	-69.90	430.32	2.75	-67.15
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1	REAL300024570409	0	55	0.0	-69.73	444.81	3.17	-66.56
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1	REAL300024570431	0	55	0.0	-77.14	438.76	3.07	-74.07
CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024570446	0	57	0.0	-70.73	444.21	3.44	-67.29
CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570473	0	54	0.0	-72.08	434.31	2.55	-69.53
CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570473	1	54	0.0	-72.12	434.31	2.53	-69.59
CC1CCC[N@H+]1CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570483	0	55	0.0	-68.11	439.43	3.11	-65.00
CC1CCC[N@@H+]1CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570483	1	55	0.0	-67.76	433.63	2.68	-65.08
CC1CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024570484	0	55	0.0	-70.41	440.83	3.07	-67.34
CC1CC[N@@H+](CC(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024570484	1	55	0.0	-69.20	441.13	3.14	-66.06
CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024570486	0	54	0.0	-67.37	424.92	2.39	-64.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[NH+](C)C	REAL300024570522	0	48	0.0	-71.56	394.22	1.39	-70.17
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N+]1=CN(C)C=C1	REAL300024570523	0	50	0.0	-68.74	425.39	4.85	-63.89
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCC[N@H+](C)C1	REAL300024570526	0	55	0.0	-71.78	438.50	3.07	-68.71
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCC[N@@H+](C)C1	REAL300024570526	1	55	0.0	-66.19	432.50	3.16	-63.03
CC(C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CCC1	REAL300024570533	1	52	0.0	-68.71	424.56	2.32	-66.39
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C(C)(C)C[NH+](C)C	REAL300024570536	0	57	0.0	-72.29	441.10	3.12	-69.17
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N@H+](C)C1CC1	REAL300024570543	0	52	0.0	-68.68	424.37	2.72	-65.96
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N@@H+](C)C1CC1	REAL300024570543	1	52	0.0	-68.41	424.22	2.71	-65.70
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)CC1C[NH+](C)C1	REAL300024570554	0	52	0.0	-71.73	425.44	2.17	-69.56
C[C@@H](C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024570566	0	51	0.0	-68.66	412.94	1.71	-66.95
C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1CNC(=O)CN=[N+]=[N-]	REAL300024570573	0	42	0.0	-23.31	371.17	-3.08	-26.39
C[C@@H](C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024570604	0	51	0.0	-68.66	412.94	1.71	-66.95
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024570607	0	55	0.0	-69.46	436.17	2.98	-66.48
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C	REAL300024570607	1	55	0.0	-69.47	427.63	2.73	-66.74
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[NH+]1CCC1	REAL300024570634	1	49	0.0	-71.29	404.49	1.87	-69.42
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C=C1CC[N@H+](C)C1	REAL300024570643	0	53	0.0	-73.83	433.53	2.88	-70.95
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C=C1CC[N@@H+](C)C1	REAL300024570643	1	53	0.0	-73.56	433.56	2.87	-70.69
C[C@H](C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024570661	0	51	0.0	-70.75	412.40	1.82	-68.93
CC1C[NH+](CC(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024570677	1	52	0.0	-71.53	424.30	2.54	-68.99
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N@H+](C)CCO	REAL300024570690	1	52	0.0	-71.30	422.29	-1.24	-72.54
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N@@H+](C)CCO	REAL300024570690	1	52	0.0	-71.54	421.85	-1.12	-72.66
CC(CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C[NH+](C)C	REAL300024570702	0	57	0.0	-73.54	451.40	3.39	-70.15
CC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570704	0	51	0.0	-70.20	411.71	2.11	-68.09
CC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570704	1	51	0.0	-70.14	411.71	2.11	-68.03
CC[N@H+](CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C1CC1	REAL300024570714	0	55	0.0	-68.24	443.45	3.46	-64.78
CC[N@@H+](CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C1CC1	REAL300024570714	1	55	0.0	-68.45	440.26	3.41	-65.04
CC[NH+](CC)CCC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570720	0	57	0.0	-71.06	452.00	3.25	-67.81
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[NH+]1CC(C)(C)C1	REAL300024570728	1	55	0.0	-70.77	444.72	2.95	-67.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C=CC[NH+](C)C	REAL300024570735	0	52	0.0	-74.74	430.81	2.53	-72.21
CC(CCC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024570752	0	57	0.0	-72.41	451.34	3.19	-69.22
CC[N@@H+]1CCC1C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570756	1	52	0.0	-68.65	418.05	2.26	-66.39
CC[N@H+]1CCC1C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570756	1	52	0.0	-68.97	417.31	1.88	-67.09
C=CCC(C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024570777	0	55	0.0	-70.62	442.96	3.00	-67.62
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[NH+]1CC2CC2C1	REAL300024570785	0	53	0.0	-71.19	429.79	3.26	-67.93
CCCC(C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024570790	0	57	0.0	-70.65	446.98	3.06	-67.59
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C(C)(C)[NH+](C)C	REAL300024570792	0	54	0.0	-70.15	421.91	2.53	-67.62
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCCC[N@@H+]1C	REAL300024570802	0	55	0.0	-68.53	426.87	2.75	-65.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCCC[N@H+]1C	REAL300024570802	1	55	0.0	-68.95	426.86	2.75	-66.20
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1([NH+](C)C)CC1	REAL300024570838	0	52	0.0	-74.78	417.25	3.02	-71.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)CC[NH+]1CCCC1	REAL300024570839	0	55	0.0	-71.98	441.77	3.02	-68.96
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C12CC(C1)C[N@@H+]2C	REAL300024570849	0	53	0.0	-71.14	425.29	2.62	-68.52
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C12CC(C1)C[N@H+]2C	REAL300024570849	1	53	0.0	-73.48	427.20	2.46	-71.02
CC(C[NH+](C)C)C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570884	0	54	0.0	-72.09	433.35	2.59	-69.50
CC(C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CC(C)C1	REAL300024570904	1	55	0.0	-68.35	442.55	3.07	-65.28
CC1CC[N@@H+]1CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570905	1	52	0.0	-70.46	425.54	2.48	-67.98
CC1CC[N@H+]1CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570905	1	52	0.0	-69.36	426.17	2.41	-66.95
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024570936	0	55	0.0	-73.35	444.50	3.04	-70.31
CC(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024570937	0	57	0.0	-73.03	455.00	3.19	-69.84
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571106	0	52	0.0	-70.35	415.20	2.15	-68.20
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571106	1	52	0.0	-72.09	414.44	1.80	-70.29
C[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571132	1	53	0.0	-79.45	429.02	1.57	-77.88
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571132	1	53	0.0	-84.87	427.61	1.55	-83.32
C[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571282	0	55	0.0	-76.40	441.08	2.89	-73.51
C[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571282	1	55	0.0	-76.59	441.97	2.86	-73.73
CCC(C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024571285	0	54	0.0	-69.59	422.44	2.14	-67.45
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571295	0	57	0.0	-75.96	459.32	3.55	-72.41
CC(C)C(C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024571298	0	57	0.0	-73.08	439.62	2.72	-70.36
CCC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571299	0	57	0.0	-74.69	455.55	3.38	-71.31
CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571299	1	57	0.0	-75.78	456.27	3.29	-72.49
CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571300	0	54	0.0	-72.79	433.91	2.69	-70.10
CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571300	1	54	0.0	-72.99	433.45	2.75	-70.24
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571339	0	55	0.0	-75.29	442.03	2.90	-72.39
CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571345	0	54	0.0	-74.94	434.78	2.54	-72.40
CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571345	1	54	0.0	-75.49	434.32	2.58	-72.91
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571367	0	55	0.0	-79.23	434.63	2.79	-76.44
CC(C)[C@H](C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024571382	0	57	0.0	-72.15	437.81	2.81	-69.34
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571404	0	55	0.0	-72.28	423.35	2.31	-69.97
CC1CCC[N@H+]1CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571428	0	55	0.0	-69.51	432.91	2.70	-66.81
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571428	1	55	0.0	-69.19	432.90	2.66	-66.53
CC(C)[C@@H](C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024571439	0	57	0.0	-71.64	435.43	2.78	-68.86
CC1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300024571447	0	55	0.0	-72.76	440.19	3.02	-69.74
CC1CC[N@@H+](CC(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300024571447	1	55	0.0	-72.67	440.97	3.02	-69.65
CC[C@@H](C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024571449	0	54	0.0	-69.18	421.99	2.23	-66.95
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571486	1	50	0.0	-69.91	423.59	2.94	-66.97
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571504	1	50	0.0	-71.95	425.54	3.67	-68.28
C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@@H+]1C	REAL300024571505	0	55	0.0	-78.09	430.96	2.22	-75.87
C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@H+]1C	REAL300024571505	1	55	0.0	-74.03	435.25	2.86	-71.17
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571535	0	55	0.0	-71.39	441.21	3.25	-68.14
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571535	1	55	0.0	-71.17	441.08	3.24	-67.93
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571541	0	55	0.0	-79.23	434.63	2.79	-76.44
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571554	0	52	0.0	-70.48	415.50	2.09	-68.39
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571554	1	52	0.0	-71.97	413.08	1.79	-70.18
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571597	0	55	0.0	-70.43	423.36	2.44	-67.99
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571597	1	55	0.0	-69.05	435.08	2.84	-66.21
CC1C(C(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@@H+]1C	REAL300024571626	0	55	0.0	-74.79	430.72	2.54	-72.25
CC1C(C(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@H+]1C	REAL300024571626	1	55	0.0	-73.72	434.30	2.34	-71.38
C[C@@H](C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024571667	0	51	0.0	-71.45	412.93	1.62	-69.83
C[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571685	0	55	0.0	-74.92	442.56	3.09	-71.83
C[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571690	1	52	0.0	-73.57	422.30	-1.23	-74.80
C[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571690	1	52	0.0	-74.02	422.70	-1.30	-75.32
CC1C[NH+](CC(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300024571733	1	52	0.0	-73.36	425.47	2.43	-70.93
CC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571765	0	51	0.0	-73.07	412.56	1.95	-71.12
CC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571765	1	51	0.0	-73.05	412.56	1.94	-71.11
CC(CCC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024571818	0	57	0.0	-73.35	451.95	3.04	-70.31
CC[N@H+](CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)C1CC1	REAL300024571823	0	55	0.0	-69.94	444.47	3.30	-66.64
CC[N@@H+](CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)C1CC1	REAL300024571823	1	55	0.0	-70.58	441.63	3.30	-67.28
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571836	0	53	0.0	-74.44	423.17	2.48	-71.96
C[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571836	1	53	0.0	-77.28	422.21	2.37	-74.91
CC(C[NH+](C)C)C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571845	0	54	0.0	-71.14	435.22	2.34	-68.80
C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571851	0	52	0.0	-75.38	410.91	1.66	-73.72
C[C@H](C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024571861	0	51	0.0	-71.49	410.84	1.65	-69.84
CC[N@@H+]1CCC1C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571864	1	52	0.0	-70.86	418.09	2.04	-68.82
CC[N@H+]1CCC1C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571864	1	52	0.0	-72.89	425.49	2.23	-70.66
C[C@@H]1CN(C(=O)C2=C[NH+]=CC=C2N)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571875	0	48	0.0	-74.46	402.22	-0.80	-75.26
CCCC(C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024571879	0	57	0.0	-70.05	444.23	2.97	-67.08
C[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571882	0	54	0.0	-77.65	414.94	2.30	-75.35
CC(CC[NH+](C)C)C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024571891	0	57	0.0	-75.14	450.42	2.89	-72.25
C[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571950	0	53	0.0	-73.45	429.39	3.09	-70.36
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571958	0	55	0.0	-70.43	423.36	2.44	-67.99
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571958	1	55	0.0	-69.05	435.08	2.84	-66.21
C[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571983	0	53	0.0	-77.12	431.84	2.80	-74.32
C[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571983	1	53	0.0	-77.90	431.82	2.83	-75.07
C[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@H]1CNC(=O)CSC1=NC(=O)NN1	REAL300024571990	0	42	0.0	-25.28	371.19	-3.07	-28.35
CCC1C[NH+](CC(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300024572006	0	55	0.0	-73.65	447.34	3.18	-70.47
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572011	0	52	0.0	-71.29	412.56	1.86	-69.43
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572011	1	52	0.0	-70.20	417.39	2.19	-68.01
C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572051	0	55	0.0	-74.13	443.65	3.05	-71.08
C[C@@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572092	0	55	0.0	-72.98	436.56	3.14	-69.84
C[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572093	0	55	0.0	-64.17	428.94	2.93	-61.24
C[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572093	1	55	0.0	-75.95	438.80	2.85	-73.10
C[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572094	0	50	0.0	-70.32	425.91	4.81	-65.51
C[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572104	0	52	0.0	-70.46	423.62	2.74	-67.72
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572104	1	52	0.0	-70.25	424.12	2.68	-67.57
CC(CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)C[NH+](C)C	REAL300024572112	0	57	0.0	-79.26	451.95	3.30	-75.96
C[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572161	0	52	0.0	-72.57	425.37	2.22	-70.35
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572168	0	48	0.0	-73.82	394.93	1.28	-72.54
C[C@@H](C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024572176	0	51	0.0	-71.45	412.93	1.62	-69.83
CC(C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+]1CC(C)C1	REAL300024572190	0	55	0.0	-71.29	442.61	2.96	-68.33
CC1CC[N@@H+]1CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024572191	1	52	0.0	-71.02	420.01	2.14	-68.88
CC1CC[N@H+]1CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024572191	1	52	0.0	-71.82	425.56	2.42	-69.40
C[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572193	0	52	0.0	-78.57	430.28	2.57	-76.00
C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572197	1	55	0.0	-73.85	445.55	2.88	-70.97
CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024572210	0	54	0.0	-71.78	431.24	2.63	-69.15
C[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572215	1	49	0.0	-72.88	404.95	1.80	-71.08
CC[NH+](CC)CCC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024572233	0	57	0.0	-72.98	451.90	3.33	-69.65
CC(C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+]1CCC1	REAL300024572261	1	52	0.0	-75.08	411.77	1.99	-73.09
C[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572265	0	57	0.0	-73.87	435.62	2.48	-71.39
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572285	0	55	0.0	-70.09	435.18	2.89	-67.20
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572285	1	55	0.0	-74.18	427.56	2.53	-71.65
C=CCC(C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024572304	0	55	0.0	-68.49	436.82	2.77	-65.72
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)CSC(N)=[NH2+]	REAL300024572327	0	46	0.0	-72.28	402.74	-1.80	-74.08
CCC1C[NH+](CC(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024572382	1	55	0.0	-71.81	447.20	3.16	-68.65
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024572386	0	52	0.0	-68.62	414.85	1.86	-66.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300024572386	1	52	0.0	-67.46	419.89	2.28	-65.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[NH+]1CCCCC1	REAL300024572393	0	55	0.0	-70.68	435.92	3.26	-67.42
CC1C(C(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300024572397	0	55	0.0	-71.40	431.73	2.59	-68.81
CC1C(C(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300024572397	1	55	0.0	-70.73	436.27	2.89	-67.84
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1CCC[N@@H+]1C	REAL300024572543	0	55	0.0	-75.37	434.78	2.57	-72.80
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1CCC[N@H+]1C	REAL300024572543	1	55	0.0	-71.09	442.39	3.02	-68.07
CCC(C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024572643	0	57	0.0	-70.97	446.22	2.99	-67.98
CCC[N@H+](C)CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024572648	0	57	0.0	-73.50	454.81	3.41	-70.09
CCC[N@@H+](C)CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024572648	1	57	0.0	-73.51	454.80	3.41	-70.10
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C	REAL300024572656	0	55	0.0	-71.95	440.34	3.11	-68.84
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C	REAL300024572656	1	55	0.0	-69.10	433.86	2.52	-66.58
CC[NH+](CC)CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024572661	0	57	0.0	-69.32	449.98	3.33	-65.99
CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024572717	0	57	0.0	-73.45	453.98	3.18	-70.27
CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024572717	1	57	0.0	-75.38	455.67	3.21	-72.17
CC[C@@H](C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024572720	0	57	0.0	-69.11	444.12	2.99	-66.12
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C[NH+](C)C	REAL300024572738	0	51	0.0	-73.80	415.58	1.99	-71.81
CC(C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CCC1	REAL300024572742	1	55	0.0	-69.40	442.10	3.04	-66.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C[N@H+](C)C1CC1	REAL300024572748	0	55	0.0	-66.76	442.69	3.40	-63.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C[N@@H+](C)C1CC1	REAL300024572748	1	55	0.0	-65.93	442.57	3.40	-62.53
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)CC1C[NH+](C)C1	REAL300024572754	0	55	0.0	-74.63	446.68	2.74	-71.89
C[C@@H](C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024572761	0	54	0.0	-72.63	433.68	2.39	-70.24
C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1CCNC(=O)CN=[N+]=[N-]	REAL300024572764	0	45	0.0	-25.39	392.56	-2.41	-27.80
C[C@@H](C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024572782	0	54	0.0	-72.63	433.68	2.39	-70.24
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C[NH+]1CCC1	REAL300024572800	1	52	0.0	-69.03	423.38	2.42	-66.61
C[C@H](C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024572811	0	54	0.0	-71.49	433.70	2.40	-69.09
CC1C[NH+](CC(=O)NCC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024572817	1	55	0.0	-69.67	443.38	3.14	-66.53
CC[N@H+](C)CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024572834	0	54	0.0	-73.11	433.31	2.67	-70.44
CC[N@@H+](C)CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024572834	1	54	0.0	-73.18	433.31	2.67	-70.51
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C=CC[NH+](C)C	REAL300024572850	0	55	0.0	-77.41	451.16	3.24	-74.17
CC[N@@H+]1CCC1C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024572856	1	55	0.0	-75.27	446.42	3.00	-72.27
CC[N@H+]1CCC1C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024572856	1	55	0.0	-71.78	440.13	2.65	-69.13
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C(C)(C)[NH+](C)C	REAL300024572869	0	57	0.0	-76.28	443.27	3.12	-73.16
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1([NH+](C)C)CC1	REAL300024572891	0	55	0.0	-69.94	435.73	3.70	-66.24
CC(C[NH+](C)C)C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024572913	0	57	0.0	-75.02	453.98	3.27	-71.75
CC1CC[N@@H+]1CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024572922	1	55	0.0	-74.49	446.06	3.09	-71.40
CC1CC[N@H+]1CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024572922	1	55	0.0	-74.73	446.13	3.10	-71.63
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573031	0	55	0.0	-72.91	432.25	2.45	-70.46
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573031	1	55	0.0	-72.25	434.05	2.44	-69.81
CCC(C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024573102	0	57	0.0	-72.60	446.54	3.01	-69.59
CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573106	0	57	0.0	-73.55	454.80	3.35	-70.20
CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573106	1	57	0.0	-73.83	454.00	3.36	-70.47
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573123	0	57	0.0	-75.91	456.81	3.24	-72.67
CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573123	1	57	0.0	-75.86	456.87	3.25	-72.61
CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024573163	0	57	0.0	-70.39	443.10	2.79	-67.60
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573209	0	55	0.0	-70.78	437.52	2.81	-67.97
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573209	1	55	0.0	-71.88	435.32	2.47	-69.41
C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024573263	0	54	0.0	-72.38	432.09	2.29	-70.09
CC1C[NH+](CC(=O)N2C[C@@H](C)[C@H](CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024573287	1	55	0.0	-73.91	446.70	3.03	-70.88
CC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573305	0	54	0.0	-73.19	433.31	2.61	-70.58
CC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573305	1	54	0.0	-73.50	432.50	2.62	-70.88
CC(C[NH+](C)C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573335	0	57	0.0	-76.69	449.33	2.97	-73.72
C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573338	0	55	0.0	-76.34	437.60	2.61	-73.73
C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024573342	0	54	0.0	-71.87	431.68	2.22	-69.65
CC[N@@H+]1CCC1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573345	1	55	0.0	-72.03	436.47	2.56	-69.47
CC[N@H+]1CCC1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573345	1	55	0.0	-71.60	437.96	2.56	-69.04
C[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573353	0	57	0.0	-75.83	435.12	2.29	-73.54
C[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@H]1CCNC(=O)CSC1=NC(=O)NN1	REAL300024573399	0	45	0.0	-25.46	390.88	-2.49	-27.95
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573412	0	55	0.0	-73.03	434.06	2.44	-70.59
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573412	1	55	0.0	-70.06	436.64	2.69	-67.37
C[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573449	0	55	0.0	-71.34	444.16	3.37	-67.97
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573449	1	55	0.0	-70.71	444.03	3.36	-67.35
C[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573477	0	55	0.0	-75.45	445.35	2.76	-72.69
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573480	0	51	0.0	-73.98	415.58	1.94	-72.04
C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024573483	0	54	0.0	-72.38	432.09	2.29	-70.09
CC1CC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573490	1	55	0.0	-72.51	446.77	3.01	-69.50
CC1CC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573490	1	55	0.0	-71.59	441.21	2.74	-68.85
C[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573491	0	55	0.0	-80.59	450.83	3.20	-77.39
CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573497	0	57	0.0	-71.84	447.17	3.01	-68.83
C[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573498	1	52	0.0	-74.28	424.86	2.38	-71.90
CC(C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024573520	1	55	0.0	-71.67	443.07	2.88	-68.79
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024573588	0	55	0.0	-73.84	435.41	2.53	-71.31
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C	REAL300024573588	1	55	0.0	-68.92	439.84	3.00	-65.92
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573710	0	55	0.0	-72.91	432.25	2.45	-70.46
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573710	1	55	0.0	-72.25	434.05	2.44	-69.81
CCC(C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024573810	0	57	0.0	-72.60	446.54	3.01	-69.59
CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573815	0	57	0.0	-73.55	454.80	3.35	-70.20
CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573815	1	57	0.0	-73.83	454.00	3.36	-70.47
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573823	0	55	0.0	-70.78	437.52	2.81	-67.97
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573823	1	55	0.0	-71.88	435.32	2.47	-69.41
CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573828	0	57	0.0	-71.84	447.17	3.01	-68.83
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573884	0	57	0.0	-75.91	456.81	3.24	-72.67
CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024573884	1	57	0.0	-75.86	456.87	3.25	-72.61
CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024573887	0	57	0.0	-70.39	443.10	2.79	-67.60
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573905	0	51	0.0	-73.98	415.58	1.94	-72.04
CC(C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024573909	1	55	0.0	-71.67	443.07	2.88	-68.79
C[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573915	0	55	0.0	-71.34	444.16	3.37	-67.97
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573915	1	55	0.0	-70.71	444.03	3.36	-67.35
C[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573921	0	55	0.0	-75.45	445.35	2.76	-72.69
C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024573928	0	54	0.0	-72.38	432.09	2.29	-70.09
C[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@H]1CCNC(=O)CSC1=NC(=O)NN1	REAL300024573931	0	45	0.0	-25.46	390.88	-2.49	-27.95
C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024573949	0	54	0.0	-72.38	432.09	2.29	-70.09
C[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573967	1	52	0.0	-74.28	424.86	2.38	-71.90
C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024573978	0	54	0.0	-71.87	431.68	2.22	-69.65
CC1C[NH+](CC(=O)N2C[C@@H](C)[C@H](CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024573984	1	55	0.0	-73.91	446.70	3.03	-70.88
CC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024574001	0	54	0.0	-73.19	433.31	2.61	-70.58
CC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024574001	1	54	0.0	-73.50	432.50	2.62	-70.88
C[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024574017	0	55	0.0	-80.59	450.83	3.20	-77.39
CC[N@@H+]1CCC1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024574023	1	55	0.0	-72.03	436.47	2.56	-69.47
CC[N@H+]1CCC1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024574023	1	55	0.0	-71.60	437.96	2.56	-69.04
C[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024574036	0	57	0.0	-75.83	435.12	2.29	-73.54
C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024574058	0	55	0.0	-76.34	437.60	2.61	-73.73
CC(C[NH+](C)C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024574080	0	57	0.0	-76.69	449.33	2.97	-73.72
CC1CC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024574089	1	55	0.0	-72.51	446.77	3.01	-69.50
CC1CC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024574089	1	55	0.0	-71.59	441.21	2.74	-68.85
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1CCC[N@@H+]1C	REAL300024574198	0	55	0.0	-75.37	434.78	2.57	-72.80
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1CCC[N@H+]1C	REAL300024574198	1	55	0.0	-71.09	442.39	3.02	-68.07
CCC(C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024574269	0	57	0.0	-70.97	446.22	2.99	-67.98
CCC[N@H+](C)CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024574273	0	57	0.0	-73.50	454.81	3.41	-70.09
CCC[N@@H+](C)CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024574273	1	57	0.0	-73.51	454.80	3.41	-70.10
CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024574290	0	57	0.0	-73.45	453.98	3.18	-70.27
CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024574290	1	57	0.0	-75.38	455.67	3.21	-72.17
CC[C@@H](C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024574330	0	57	0.0	-69.11	444.12	2.99	-66.12
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C	REAL300024574376	0	55	0.0	-71.95	440.34	3.11	-68.84
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C	REAL300024574376	1	55	0.0	-69.10	433.86	2.52	-66.58
C[C@@H](C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024574430	0	54	0.0	-72.63	433.68	2.39	-70.24
CC1C[NH+](CC(=O)NCC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024574454	1	55	0.0	-69.67	443.38	3.14	-66.53
CC[N@H+](C)CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024574472	0	54	0.0	-73.11	433.31	2.67	-70.44
CC[N@@H+](C)CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024574472	1	54	0.0	-73.18	433.31	2.67	-70.51
CC(C[NH+](C)C)C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024574502	0	57	0.0	-75.02	453.98	3.27	-71.75
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1([NH+](C)C)CC1	REAL300024574505	0	55	0.0	-69.94	435.73	3.70	-66.24
C[C@H](C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024574509	0	54	0.0	-71.49	433.70	2.40	-69.09
CC[N@@H+]1CCC1C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024574512	1	55	0.0	-75.27	446.42	3.00	-72.27
CC[N@H+]1CCC1C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024574512	1	55	0.0	-71.78	440.13	2.65	-69.13
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C(C)(C)[NH+](C)C	REAL300024574520	0	57	0.0	-76.28	443.27	3.12	-73.16
C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1CCNC(=O)CN=[N+]=[N-]	REAL300024574566	0	45	0.0	-25.39	392.56	-2.41	-27.80
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024574579	0	55	0.0	-73.84	435.41	2.53	-71.31
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C	REAL300024574579	1	55	0.0	-68.92	439.84	3.00	-65.92
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C[N@H+](C)C1CC1	REAL300024574616	0	55	0.0	-66.76	442.69	3.40	-63.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C[N@@H+](C)C1CC1	REAL300024574616	1	55	0.0	-65.93	442.57	3.40	-62.53
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)CC1C[NH+](C)C1	REAL300024574644	0	55	0.0	-74.63	446.68	2.74	-71.89
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C[NH+](C)C	REAL300024574647	0	51	0.0	-73.80	415.58	1.99	-71.81
C[C@@H](C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024574650	0	54	0.0	-72.63	433.68	2.39	-70.24
CC1CC[N@@H+]1CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024574657	1	55	0.0	-74.49	446.06	3.09	-71.40
CC1CC[N@H+]1CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024574657	1	55	0.0	-74.73	446.13	3.10	-71.63
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C=CC[NH+](C)C	REAL300024574658	0	55	0.0	-77.41	451.16	3.24	-74.17
CC[NH+](CC)CC(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024574664	0	57	0.0	-69.32	449.98	3.33	-65.99
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C[NH+]1CCC1	REAL300024574665	1	52	0.0	-69.03	423.38	2.42	-66.61
CC(C(=O)NCC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CCC1	REAL300024574687	1	55	0.0	-69.40	442.10	3.04	-66.36
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024574755	0	55	0.0	-73.03	434.06	2.44	-70.59
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024574755	1	55	0.0	-70.06	436.64	2.69	-67.37
C[NH+](C)CC(=O)N1CC(N2C=C(CNC(=O)CSC3=NNC(=O)[N-]3)N=N2)C1	REAL300024574811	0	48	0.0	-84.07	413.21	-0.59	-84.66
[N-]=[N+]=NCC(=O)N1CC(N2C=C(CNC(=O)CSC3=NC(=O)NN3)N=N2)C1	REAL300024574816	1	42	0.0	-32.77	390.27	-5.07	-37.84
[N-]=[N+]=NCC(=O)NCC1=CN(C2CN(C(=O)CSC3=NC(=O)NN3)C2)N=N1	REAL300024574880	1	42	0.0	-30.13	390.17	-4.96	-35.09
C[NH+](C)CC(=O)NCC1=CN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=N1	REAL300024574887	0	48	0.0	-76.19	413.21	-0.56	-76.75
CC(=O)N1CCC([NH+]2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024574944	0	53	0.0	-77.80	400.22	3.85	-73.95
CC(=O)N1CC2CCC(C1)[NH+]2C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024574945	0	53	0.0	-77.38	400.09	3.87	-73.51
C[NH+](C)CC(=O)N1CCC(OC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024574970	0	53	0.0	-75.75	430.81	2.44	-73.31
[N-]=[N+]=NCC(=O)N1CCC(OC2CN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300024574975	0	47	0.0	-26.21	407.70	-2.04	-28.25
[N-]=[N+]=NCC(=O)N1CC(OC2CCN(C(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300024575034	0	47	0.0	-25.89	407.37	-1.88	-27.77
C[NH+](C)CC(=O)N1CC(OC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024575041	0	53	0.0	-76.30	430.81	2.52	-73.78
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575209	0	52	0.0	-70.35	415.20	2.15	-68.20
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575209	1	52	0.0	-72.09	414.44	1.80	-70.29
C[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575233	1	53	0.0	-79.45	429.02	1.57	-77.88
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575233	1	53	0.0	-84.87	427.61	1.55	-83.32
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575372	1	50	0.0	-69.91	423.59	2.94	-66.97
C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@@H+]1C	REAL300024575390	0	55	0.0	-78.09	430.96	2.22	-75.87
C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@H+]1C	REAL300024575390	1	55	0.0	-74.03	435.25	2.86	-71.17
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575410	0	55	0.0	-72.28	423.35	2.31	-69.97
CC(C)[C@@H](C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024575412	0	57	0.0	-71.64	435.43	2.78	-68.86
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575421	0	55	0.0	-71.39	441.21	3.25	-68.14
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575421	1	55	0.0	-71.17	441.08	3.24	-67.93
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575445	0	55	0.0	-79.23	434.63	2.79	-76.44
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575451	0	55	0.0	-70.43	423.36	2.44	-67.99
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575451	1	55	0.0	-69.05	435.08	2.84	-66.21
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575468	1	50	0.0	-71.95	425.54	3.67	-68.28
C[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575478	0	55	0.0	-76.40	441.08	2.89	-73.51
C[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575478	1	55	0.0	-76.59	441.97	2.86	-73.73
CCC(C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024575481	0	54	0.0	-69.59	422.44	2.14	-67.45
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575495	0	57	0.0	-75.96	459.32	3.55	-72.41
CC(C)C(C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024575498	0	57	0.0	-73.08	439.62	2.72	-70.36
CCC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575499	0	57	0.0	-74.69	455.55	3.38	-71.31
CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575499	1	57	0.0	-75.78	456.27	3.29	-72.49
CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575500	0	54	0.0	-72.79	433.91	2.69	-70.10
CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575500	1	54	0.0	-72.99	433.45	2.75	-70.24
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575515	0	52	0.0	-70.48	415.50	2.09	-68.39
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575515	1	52	0.0	-71.97	413.08	1.79	-70.18
CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575527	0	54	0.0	-71.78	431.24	2.63	-69.15
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575581	0	55	0.0	-75.29	442.03	2.90	-72.39
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575603	0	55	0.0	-79.23	434.63	2.79	-76.44
CC(C)[C@H](C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024575618	0	57	0.0	-72.15	437.81	2.81	-69.34
CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575645	0	54	0.0	-74.94	434.78	2.54	-72.40
CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575645	1	54	0.0	-75.49	434.32	2.58	-72.91
CC1CCC[N@H+]1CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575655	0	55	0.0	-69.51	432.91	2.70	-66.81
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575655	1	55	0.0	-69.19	432.90	2.66	-66.53
CC1CC[N@H+](CC(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300024575656	0	55	0.0	-72.76	440.19	3.02	-69.74
CC1CC[N@@H+](CC(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300024575656	1	55	0.0	-72.67	440.97	3.02	-69.65
CC[C@@H](C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024575658	0	54	0.0	-69.18	421.99	2.23	-66.95
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575694	0	48	0.0	-73.82	394.93	1.28	-72.54
C[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575695	0	50	0.0	-70.32	425.91	4.81	-65.51
C[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575698	0	55	0.0	-64.17	428.94	2.93	-61.24
C[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575698	1	55	0.0	-75.95	438.80	2.85	-73.10
CC(C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+]1CCC1	REAL300024575705	1	52	0.0	-75.08	411.77	1.99	-73.09
C[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575708	0	57	0.0	-73.87	435.62	2.48	-71.39
C[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575715	0	52	0.0	-70.46	423.62	2.74	-67.72
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575715	1	52	0.0	-70.25	424.12	2.68	-67.57
C[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575726	0	52	0.0	-72.57	425.37	2.22	-70.35
C[C@@H](C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024575738	0	51	0.0	-71.45	412.93	1.62	-69.83
C[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@H]1CNC(=O)CSC1=NC(=O)NN1	REAL300024575745	0	42	0.0	-25.28	371.19	-3.07	-28.35
C[C@@H](C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024575776	0	51	0.0	-71.45	412.93	1.62	-69.83
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575779	0	55	0.0	-70.09	435.18	2.89	-67.20
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575779	1	55	0.0	-74.18	427.56	2.53	-71.65
C[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575806	1	49	0.0	-72.88	404.95	1.80	-71.08
C[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575815	0	53	0.0	-77.12	431.84	2.80	-74.32
C[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575815	1	53	0.0	-77.90	431.82	2.83	-75.07
C[C@H](C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024575833	0	51	0.0	-71.49	410.84	1.65	-69.84
CC1C[NH+](CC(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300024575849	1	52	0.0	-73.36	425.47	2.43	-70.93
C[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575862	1	52	0.0	-73.57	422.30	-1.23	-74.80
C[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575862	1	52	0.0	-74.02	422.70	-1.30	-75.32
CC(CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)C[NH+](C)C	REAL300024575874	0	57	0.0	-79.26	451.95	3.30	-75.96
CC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575876	0	51	0.0	-73.07	412.56	1.95	-71.12
CC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575876	1	51	0.0	-73.05	412.56	1.94	-71.11
CC[N@H+](CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)C1CC1	REAL300024575886	0	55	0.0	-69.94	444.47	3.30	-66.64
CC[N@@H+](CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)C1CC1	REAL300024575886	1	55	0.0	-70.58	441.63	3.30	-67.28
CC[NH+](CC)CCC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575892	0	57	0.0	-72.98	451.90	3.33	-69.65
C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575900	1	55	0.0	-73.85	445.55	2.88	-70.97
C[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575907	0	52	0.0	-78.57	430.28	2.57	-76.00
CC(CCC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024575924	0	57	0.0	-73.35	451.95	3.04	-70.31
CC[N@@H+]1CCC1C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575928	1	52	0.0	-70.86	418.09	2.04	-68.82
CC[N@H+]1CCC1C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024575928	1	52	0.0	-72.89	425.49	2.23	-70.66
C=CCC(C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024575949	0	55	0.0	-68.49	436.82	2.77	-65.72
C[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575957	0	53	0.0	-73.45	429.39	3.09	-70.36
CCCC(C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300024575962	0	57	0.0	-70.05	444.23	2.97	-67.08
C[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575964	0	54	0.0	-77.65	414.94	2.30	-75.35
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575974	0	55	0.0	-70.43	423.36	2.44	-67.99
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575974	1	55	0.0	-69.05	435.08	2.84	-66.21
C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024576010	0	52	0.0	-75.38	410.91	1.66	-73.72
C[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024576011	0	55	0.0	-74.92	442.56	3.09	-71.83
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024576021	0	53	0.0	-74.44	423.17	2.48	-71.96
C[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024576021	1	53	0.0	-77.28	422.21	2.37	-74.91
CC(C[NH+](C)C)C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024576056	0	54	0.0	-71.14	435.22	2.34	-68.80
CC(C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+]1CC(C)C1	REAL300024576076	0	55	0.0	-71.29	442.61	2.96	-68.33
CC1CC[N@@H+]1CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024576077	1	52	0.0	-71.02	420.01	2.14	-68.88
CC1CC[N@H+]1CC(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024576077	1	52	0.0	-71.82	425.56	2.42	-69.40
C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024576108	0	55	0.0	-74.13	443.65	3.05	-71.08
CC(CC[NH+](C)C)C(=O)N1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300024576109	0	57	0.0	-75.14	450.42	2.89	-72.25
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCC[N@@H+]1C	REAL300024576278	0	52	0.0	-69.48	414.20	1.87	-67.61
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCC[N@H+]1C	REAL300024576278	1	52	0.0	-66.44	420.37	2.30	-64.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1C[N@H+](C)CCO1	REAL300024576304	1	53	0.0	-79.78	431.57	1.80	-77.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1C[N@@H+](C)CCO1	REAL300024576304	1	53	0.0	-77.45	432.04	1.79	-75.66
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)CC1CC[N@H+](C)C1	REAL300024576454	0	55	0.0	-73.48	440.32	3.04	-70.44
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)CC1CC[N@@H+](C)C1	REAL300024576454	1	55	0.0	-73.46	441.72	2.89	-70.57
CCC(C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024576457	0	54	0.0	-67.66	425.61	2.29	-65.37
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)CCCC[NH+](C)C	REAL300024576467	0	57	0.0	-73.45	459.57	3.47	-69.98
CC(C)C(C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024576470	0	57	0.0	-71.27	443.68	3.63	-67.64
CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024576471	0	57	0.0	-72.81	455.80	3.29	-69.52
CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024576471	1	57	0.0	-72.86	455.81	3.28	-69.58
CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024576472	0	54	0.0	-70.54	433.21	2.86	-67.68
CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024576472	1	54	0.0	-71.01	433.44	2.74	-68.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1	REAL300024576511	0	55	0.0	-69.73	444.81	3.17	-66.56
CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024576517	0	54	0.0	-72.08	434.31	2.55	-69.53
CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024576517	1	54	0.0	-72.12	434.31	2.53	-69.59
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1	REAL300024576539	0	55	0.0	-77.14	438.76	3.07	-74.07
CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024576554	0	57	0.0	-70.73	444.21	3.44	-67.29
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1	REAL300024576576	0	55	0.0	-74.22	430.74	2.66	-71.56
CC1CCC[N@H+]1CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024576600	0	55	0.0	-68.11	439.43	3.11	-65.00
CC1CCC[N@@H+]1CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024576600	1	55	0.0	-67.76	433.63	2.68	-65.08
CC(C)[C@@H](C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024576611	0	57	0.0	-68.66	444.98	3.52	-65.14
CC1CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024576619	0	55	0.0	-70.41	440.83	3.07	-67.34
CC1CC[N@@H+](CC(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024576619	1	55	0.0	-69.20	441.13	3.14	-66.06
CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024576621	0	54	0.0	-67.37	424.92	2.39	-64.98
CC1=[NH+]C=CN1CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024576658	1	50	0.0	-68.37	424.24	2.93	-65.44
CC1=C[NH+]=CN1CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024576676	1	50	0.0	-69.88	424.60	3.66	-66.22
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300024576677	0	55	0.0	-71.36	431.73	2.54	-68.82
C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300024576677	1	55	0.0	-71.82	437.80	2.56	-69.26
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1	REAL300024576707	0	55	0.0	-69.05	440.44	3.38	-65.67
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1	REAL300024576707	1	55	0.0	-69.35	440.42	3.37	-65.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1	REAL300024576713	0	55	0.0	-77.14	438.76	3.07	-74.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300024576726	0	52	0.0	-68.27	421.11	2.39	-65.88
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300024576726	1	52	0.0	-72.18	414.25	1.94	-70.24
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCCC[N@@H+]1C	REAL300024576769	0	55	0.0	-68.53	426.87	2.75	-65.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCCC[N@H+]1C	REAL300024576769	1	55	0.0	-68.95	426.86	2.75	-66.20
CC1C(C(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300024576798	0	55	0.0	-71.40	431.73	2.59	-68.81
CC1C(C(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300024576798	1	55	0.0	-70.73	436.27	2.89	-67.84
C[C@@H](C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024576839	0	51	0.0	-68.66	412.94	1.71	-66.95
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)CC[NH+]1CCCC1	REAL300024576857	0	55	0.0	-71.98	441.77	3.02	-68.96
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N@H+](C)CCO	REAL300024576862	1	52	0.0	-71.30	422.29	-1.24	-72.54
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N@@H+](C)CCO	REAL300024576862	1	52	0.0	-71.54	421.85	-1.12	-72.66
CC1C[NH+](CC(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024576905	1	52	0.0	-71.53	424.30	2.54	-68.99
CC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024576937	0	51	0.0	-70.20	411.71	2.11	-68.09
CC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024576937	1	51	0.0	-70.14	411.71	2.11	-68.03
CC(CCC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024576990	0	57	0.0	-72.41	451.34	3.19	-69.22
CC[N@H+](CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C1CC1	REAL300024576995	0	55	0.0	-68.24	443.45	3.46	-64.78
CC[N@@H+](CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C1CC1	REAL300024576995	1	55	0.0	-68.45	440.26	3.41	-65.04
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C12CC(C1)C[N@@H+]2C	REAL300024577008	0	53	0.0	-71.14	425.29	2.62	-68.52
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C12CC(C1)C[N@H+]2C	REAL300024577008	1	53	0.0	-73.48	427.20	2.46	-71.02
CC(C[NH+](C)C)C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024577017	0	54	0.0	-72.09	433.35	2.59	-69.50
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1([NH+](C)C)CC1	REAL300024577023	0	52	0.0	-74.78	417.25	3.02	-71.76
C[C@H](C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024577033	0	51	0.0	-70.75	412.40	1.82	-68.93
CC[N@@H+]1CCC1C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024577036	1	52	0.0	-68.65	418.05	2.26	-66.39
CC[N@H+]1CCC1C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024577036	1	52	0.0	-68.97	417.31	1.88	-67.09
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=C[NH+]=CC=C1N	REAL300024577047	0	48	0.0	-70.66	402.28	-0.18	-70.84
CCCC(C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024577051	0	57	0.0	-70.65	446.98	3.06	-67.59
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C(C)(C)[NH+](C)C	REAL300024577054	0	54	0.0	-70.15	421.91	2.53	-67.62
CC(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024577063	0	57	0.0	-73.03	455.00	3.19	-69.84
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[NH+]1CC2CC2C1	REAL300024577122	0	53	0.0	-71.19	429.79	3.26	-67.93
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCCC[N@@H+]1C	REAL300024577130	0	55	0.0	-68.53	426.87	2.75	-65.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCCC[N@H+]1C	REAL300024577130	1	55	0.0	-68.95	426.86	2.75	-66.20
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C=C1CC[N@H+](C)C1	REAL300024577155	0	53	0.0	-73.83	433.53	2.88	-70.95
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C=C1CC[N@@H+](C)C1	REAL300024577155	1	53	0.0	-73.56	433.56	2.87	-70.69
C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1CNC(=O)CN=[N+]=[N-]	REAL300024577162	0	42	0.0	-23.31	371.17	-3.08	-26.39
CCC1C[NH+](CC(=O)NC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300024577178	1	55	0.0	-71.81	447.20	3.16	-68.65
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024577183	0	52	0.0	-68.62	414.85	1.86	-66.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300024577183	1	52	0.0	-67.46	419.89	2.28	-65.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024577223	0	55	0.0	-73.35	444.50	3.04	-70.31
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[NH+]1CCCCC1	REAL300024577264	0	55	0.0	-70.68	435.92	3.26	-67.42
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCC[N@H+](C)C1	REAL300024577265	0	55	0.0	-71.78	438.50	3.07	-68.71
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1CCC[N@@H+](C)C1	REAL300024577265	1	55	0.0	-66.19	432.50	3.16	-63.03
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N+]1=CN(C)C=C1	REAL300024577266	0	50	0.0	-68.74	425.39	4.85	-63.89
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N@H+](C)C1CC1	REAL300024577276	0	52	0.0	-68.68	424.37	2.72	-65.96
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[N@@H+](C)C1CC1	REAL300024577276	1	52	0.0	-68.41	424.22	2.71	-65.70
CC(CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C[NH+](C)C	REAL300024577284	0	57	0.0	-73.54	451.40	3.39	-70.15
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)CC1C[NH+](C)C1	REAL300024577333	0	52	0.0	-71.73	425.44	2.17	-69.56
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[NH+](C)C	REAL300024577340	0	48	0.0	-71.56	394.22	1.39	-70.17
C[C@@H](C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024577348	0	51	0.0	-68.66	412.94	1.71	-66.95
CC(C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CC(C)C1	REAL300024577362	1	55	0.0	-68.35	442.55	3.07	-65.28
CC1CC[N@@H+]1CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024577363	1	52	0.0	-70.46	425.54	2.48	-67.98
CC1CC[N@H+]1CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024577363	1	52	0.0	-69.36	426.17	2.41	-66.95
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C=CC[NH+](C)C	REAL300024577365	0	52	0.0	-74.74	430.81	2.53	-72.21
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[NH+]1CC(C)(C)C1	REAL300024577369	1	55	0.0	-70.77	444.72	2.95	-67.82
CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024577382	0	54	0.0	-69.90	430.32	2.75	-67.15
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C[NH+]1CCC1	REAL300024577387	1	49	0.0	-71.29	404.49	1.87	-69.42
CC[NH+](CC)CCC(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024577405	0	57	0.0	-71.06	452.00	3.25	-67.81
CC(C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CCC1	REAL300024577433	1	52	0.0	-68.71	424.56	2.32	-66.39
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C(C)(C)C[NH+](C)C	REAL300024577437	0	57	0.0	-72.29	441.10	3.12	-69.17
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024577457	0	55	0.0	-69.46	436.17	2.98	-66.48
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C	REAL300024577457	1	55	0.0	-69.47	427.63	2.73	-66.74
C=CCC(C(=O)NC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300024577476	0	55	0.0	-70.62	442.96	3.00	-67.62
C[C@@H]1CN(C(=O)CSC(N)=[NH2+])C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024577499	0	46	0.0	-75.70	402.74	-1.80	-77.50
CCC1C[NH+](CC(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300024577554	0	55	0.0	-73.65	447.34	3.18	-70.47
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024577558	0	52	0.0	-71.29	412.56	1.86	-69.43
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024577558	1	52	0.0	-70.20	417.39	2.19	-68.01
C[C@@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024577565	0	55	0.0	-72.98	436.56	3.14	-69.84
CC1C(C(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@@H+]1C	REAL300024577569	0	55	0.0	-74.79	430.72	2.54	-72.25
CC1C(C(=O)N2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@H+]1C	REAL300024577569	1	55	0.0	-73.72	434.30	2.34	-71.38
C[NH+](C)CC(=O)NC[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024577716	0	52	0.0	-77.63	412.31	2.57	-75.06
C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024577721	0	55	0.0	-75.94	429.13	2.94	-73.00
[N-]=[N+]=NCC(=O)NC[C@]12CCC[C@H]1N(C(=O)CSC1=NC(=O)NN1)CC2	REAL300024577724	0	46	0.0	-26.29	388.06	-1.88	-28.17
C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024577734	0	55	0.0	-75.94	429.13	2.94	-73.00
C[C@H](C(=O)NC[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024577747	0	55	0.0	-75.26	431.05	2.98	-72.28
CC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024577759	0	55	0.0	-77.02	430.03	3.26	-73.76
CC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024577759	1	55	0.0	-76.89	428.51	3.23	-73.66
C[C@@H](C(=O)N1CC[C@@]2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12)[NH+](C)C	REAL300024577897	0	55	0.0	-70.53	429.47	2.87	-67.66
CC[N@H+](C)CC(=O)N1CC[C@@]2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300024577915	0	55	0.0	-72.61	428.60	3.18	-69.43
CC[N@@H+](C)CC(=O)N1CC[C@@]2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300024577915	1	55	0.0	-72.26	430.11	3.18	-69.08
C[C@H](C(=O)N1CC[C@@]2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12)[NH+](C)C	REAL300024577924	0	55	0.0	-72.27	427.91	2.81	-69.46
[N-]=[N+]=NCC(=O)N1CC[C@@]2(CNC(=O)CSC3=NC(=O)NN3)CCC[C@@H]12	REAL300024577946	0	46	0.0	-26.44	387.80	-1.89	-28.33
C[NH+](C)CC(=O)N1CC[C@@]2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300024577971	0	52	0.0	-73.12	412.52	2.51	-70.61
C[C@@H](C(=O)N1CC[C@@]2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12)[NH+](C)C	REAL300024577974	0	55	0.0	-70.53	429.47	2.87	-67.66
O=C(CSC1=NNC(=O)[N-]1)NC[C@]12CCC[C@H]1N(C(=O)C[NH+]1CCC1)CC2	REAL300024577980	1	53	0.0	-73.16	421.16	2.97	-70.19
C[N@@H+]1CCCC1C(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578107	0	53	0.0	-69.36	413.64	0.78	-68.58
C[N@H+]1CCCC1C(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578107	1	53	0.0	-69.26	413.44	0.77	-68.49
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578200	0	53	0.0	-69.65	413.41	0.75	-68.90
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578200	1	53	0.0	-67.46	418.48	1.27	-66.19
C[NH+](C)CC(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578275	0	49	0.0	-71.03	393.65	0.24	-70.79
CC(C(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+]1CCC1	REAL300024578279	1	53	0.0	-68.68	423.66	1.16	-67.52
C[N@H+](CC(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CC1	REAL300024578284	0	53	0.0	-68.20	423.06	1.64	-66.56
C[N@@H+](CC(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CC1	REAL300024578284	1	53	0.0	-68.22	423.05	1.65	-66.57
C[NH+]1CC(CC(=O)NCC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024578289	0	53	0.0	-72.22	425.10	1.06	-71.16
C[C@@H](C(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300024578296	0	52	0.0	-69.08	411.55	0.64	-68.44
CC1(CNC(=O)CN=[N+]=[N-])CN(C(=O)CSC2=NC(=O)NN2)CCO1	REAL300024578299	0	43	0.0	-23.28	370.61	-4.18	-27.46
C[C@@H](C(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300024578316	0	52	0.0	-69.08	411.55	0.64	-68.44
C[C@H](C(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300024578336	0	52	0.0	-68.89	411.67	0.63	-68.26
CC1C[NH+](CC(=O)NCC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024578342	1	53	0.0	-70.66	424.92	1.32	-69.34
CC[N@H+](C)CC(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578357	0	52	0.0	-70.25	411.39	0.90	-69.35
CC[N@@H+](C)CC(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578357	1	52	0.0	-70.27	411.38	0.90	-69.37
C[NH+](C)CC=CC(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578372	0	53	0.0	-75.36	429.61	1.45	-73.91
CC[N@@H+]1CCC1C(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578376	1	53	0.0	-68.21	418.21	0.93	-67.28
CC[N@H+]1CCC1C(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578376	1	53	0.0	-69.59	425.28	1.26	-68.33
C[NH+](C)C1(C(=O)NCC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC1	REAL300024578405	0	53	0.0	-73.54	415.53	1.93	-71.61
CC1CC[N@@H+]1CC(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578428	1	53	0.0	-69.17	424.67	1.32	-67.85
CC1CC[N@H+]1CC(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578428	1	53	0.0	-69.42	424.99	1.31	-68.11
C[N@@H+]1CCCC1C(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578528	0	53	0.0	-73.71	411.85	0.68	-73.03
C[N@H+]1CCCC1C(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578528	1	53	0.0	-73.51	411.89	0.64	-72.87
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578678	0	53	0.0	-74.21	411.40	0.60	-73.61
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578678	1	53	0.0	-71.88	416.19	0.97	-70.91
C[C@@H](C(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024578729	0	52	0.0	-73.10	410.26	0.52	-72.58
CC1C[NH+](CC(=O)N2CCOC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024578750	1	53	0.0	-75.44	424.70	1.20	-74.24
CC[N@H+](C)CC(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578767	0	52	0.0	-74.97	411.38	0.81	-74.16
CC[N@@H+](C)CC(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578767	1	52	0.0	-74.96	411.35	0.80	-74.16
C[NH+](C)C1(C(=O)N2CCOC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024578793	0	53	0.0	-76.14	415.80	0.59	-75.55
C[C@H](C(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024578797	0	52	0.0	-73.34	408.98	0.43	-72.91
CC[N@@H+]1CCC1C(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578799	1	53	0.0	-74.32	423.83	1.06	-73.26
CC[N@H+]1CCC1C(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578799	1	53	0.0	-74.21	424.10	1.09	-73.12
CC1(CNC(=O)CSC2=NC(=O)NN2)CN(C(=O)CN=[N+]=[N-])CCO1	REAL300024578844	0	43	0.0	-24.10	370.62	-4.27	-28.37
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578855	0	53	0.0	-69.44	418.44	0.98	-68.46
C[N@H+]1CCC[C@H]1C(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578855	1	53	0.0	-73.61	411.94	0.68	-72.93
C[N@H+](CC(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024578886	0	53	0.0	-71.99	422.92	1.54	-70.45
C[N@@H+](CC(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024578886	1	53	0.0	-72.76	423.01	1.55	-71.21
C[NH+]1CC(CC(=O)N2CCOC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024578908	0	53	0.0	-76.29	424.94	1.01	-75.28
C[NH+](C)CC(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578911	0	49	0.0	-75.65	393.65	0.13	-75.52
C[C@@H](C(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024578914	0	52	0.0	-73.10	410.26	0.52	-72.58
CC1CC[N@@H+]1CC(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578921	1	53	0.0	-73.86	424.94	1.21	-72.65
CC1CC[N@H+]1CC(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578921	1	53	0.0	-72.85	419.13	0.91	-71.94
C[NH+](C)CC=CC(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024578922	0	53	0.0	-76.57	428.49	1.36	-75.21
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC2)CCO1	REAL300024578928	1	50	0.0	-75.44	403.70	0.58	-74.86
CC(C(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024578945	1	53	0.0	-74.11	407.92	0.55	-73.56
C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578999	0	53	0.0	-67.65	419.19	1.23	-66.42
C[N@H+]1CCC[C@H]1C(=O)NCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578999	1	53	0.0	-69.68	413.64	0.78	-68.90
C[NH+](C)CC(=O)NC1CC(=O)N(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024579054	0	50	0.0	-84.11	413.00	1.07	-83.04
[N-]=[N+]=NCC(=O)NC1CC(=O)N(C2CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300024579059	0	44	0.0	-29.96	393.92	-4.29	-34.25
[N-]=[N+]=NCC(=O)N1CC(N2CC(NC(=O)CSC3=NC(=O)NN3)CC2=O)C1	REAL300024579118	0	44	0.0	-31.26	393.64	-4.24	-35.50
C[NH+](C)CC(=O)N1CC(N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2=O)C1	REAL300024579125	0	50	0.0	-75.78	416.67	0.17	-75.61
C[N@@H+]1CCCC1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579237	0	53	0.0	-62.40	408.89	2.62	-59.78
C[N@H+]1CCCC1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579237	1	53	0.0	-64.29	410.55	2.92	-61.37
CCC(C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024579340	0	55	0.0	-72.50	406.07	4.60	-67.90
CCC[N@H+](C)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579345	0	55	0.0	-66.82	429.88	3.59	-63.23
CCC[N@@H+](C)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579345	1	55	0.0	-66.89	429.53	3.56	-63.33
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579353	0	53	0.0	-62.47	409.06	2.64	-59.83
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579353	1	53	0.0	-59.41	380.54	4.28	-55.13
CC[NH+](CC)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579358	0	55	0.0	-54.43	398.05	4.35	-50.08
CC[N@H+](C)CCC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579416	0	55	0.0	-70.66	430.49	3.37	-67.29
CC[N@@H+](C)CCC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579416	1	55	0.0	-70.37	430.61	3.42	-66.95
CC[C@@H](C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024579419	0	55	0.0	-68.08	420.02	3.17	-64.91
C[NH+](C)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579437	0	49	0.0	-57.62	372.48	3.46	-54.16
CC(C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300024579441	1	53	0.0	-52.36	392.74	4.10	-48.26
C[N@H+](CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024579448	0	53	0.0	-64.49	419.78	3.58	-60.91
C[N@@H+](CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024579448	1	53	0.0	-63.95	419.91	3.59	-60.36
C[NH+]1CC(CC(=O)N2CC3CC2CC(NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024579454	0	53	0.0	-68.15	422.11	2.98	-65.17
C[C@@H](C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024579461	0	52	0.0	-72.78	393.24	3.84	-68.94
[N-]=[N+]=NCC(=O)N1CC2CC1CC(NC(=O)CSC1=NC(=O)NN1)C2	REAL300024579464	0	43	0.0	-20.65	348.55	-0.93	-21.58
C[C@@H](C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024579483	0	52	0.0	-72.78	393.24	3.84	-68.94
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CC(C1)N(C(=O)C[NH+]1CCC1)C2	REAL300024579501	1	50	0.0	-57.09	383.08	3.84	-53.25
C[C@H](C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024579512	0	52	0.0	-64.78	407.16	2.46	-62.32
CC1C[NH+](CC(=O)N2CC3CC2CC(NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024579519	1	53	0.0	-67.36	421.57	3.20	-64.16
C[N@H+](CCO)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579530	1	53	0.0	-68.98	418.38	-0.43	-69.41
C[N@@H+](CCO)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579530	1	53	0.0	-68.28	418.49	-0.38	-68.66
CC[N@H+](C)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579537	0	52	0.0	-66.60	408.38	2.85	-63.75
CC[N@@H+](C)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579537	1	52	0.0	-66.65	408.03	2.82	-63.83
C[NH+](C)CC=CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579555	0	53	0.0	-73.37	425.74	3.37	-70.00
CC[N@@H+]1CCC1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579561	1	53	0.0	-55.47	405.07	4.36	-51.11
CC[N@H+]1CCC1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579561	1	53	0.0	-67.22	422.36	3.13	-64.09
C[NH+](C)C(C)(C)C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579575	0	55	0.0	-75.58	410.07	2.56	-73.02
C[NH+](C)C1(C(=O)N2CC3CC2CC(NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024579598	0	53	0.0	-57.05	384.25	3.84	-53.21
CC(C[NH+](C)C)C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579620	0	55	0.0	-72.77	428.87	3.30	-69.47
CC1CC[N@@H+]1CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579631	1	53	0.0	-55.87	398.56	4.19	-51.68
CC1CC[N@H+]1CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579631	1	53	0.0	-55.13	392.79	4.44	-50.69
C[N@@H+]1CCCC1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579746	0	53	0.0	-49.52	389.21	3.88	-45.64
C[N@H+]1CCCC1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579746	1	53	0.0	-73.43	410.33	2.77	-70.66
CCC(C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024579820	0	55	0.0	-70.13	420.81	3.18	-66.95
CCC[N@H+](C)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579824	0	55	0.0	-53.04	414.71	4.91	-48.13
CCC[N@@H+](C)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579824	1	55	0.0	-73.25	429.72	3.61	-69.64
CC[N@H+](C)CCC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579841	0	55	0.0	-76.01	430.76	3.40	-72.61
CC[N@@H+](C)CCC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579841	1	55	0.0	-76.09	430.59	3.41	-72.68
CC[C@@H](C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024579882	0	55	0.0	-71.30	424.14	3.80	-67.50
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579928	0	53	0.0	-51.26	393.56	4.01	-47.25
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579928	1	53	0.0	-70.26	416.78	3.28	-66.98
C[C@@H](C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024579983	0	52	0.0	-72.20	408.38	2.61	-69.59
C[N@H+](CCO)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579993	1	53	0.0	-52.99	403.02	0.96	-52.03
C[N@@H+](CCO)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024579993	1	53	0.0	-51.88	403.70	0.94	-50.94
CC1C[NH+](CC(=O)NC2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024580009	1	53	0.0	-73.57	421.72	3.33	-70.24
CC[N@H+](C)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580027	0	52	0.0	-52.55	393.21	4.17	-48.38
CC[N@@H+](C)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580027	1	52	0.0	-73.09	408.22	2.87	-70.22
CC(C[NH+](C)C)C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580060	0	55	0.0	-75.96	428.80	3.45	-72.51
C[NH+](C)C1(C(=O)NC2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024580063	0	53	0.0	-82.12	413.54	3.41	-78.71
C[C@H](C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024580067	0	52	0.0	-72.12	408.66	2.60	-69.52
CC[N@@H+]1CCC1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580070	1	53	0.0	-47.95	397.25	4.38	-43.57
CC[N@H+]1CCC1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580070	1	53	0.0	-49.11	394.64	4.03	-45.08
C[NH+](C)C(C)(C)C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580079	0	55	0.0	-81.98	417.60	3.36	-78.62
[N-]=[N+]=NCC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NC(=O)NN1)C2	REAL300024580128	0	43	0.0	-27.33	367.36	-2.21	-29.54
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580141	0	53	0.0	-69.61	415.97	3.14	-66.47
C[N@H+]1CCC[C@H]1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580141	1	53	0.0	-53.45	389.04	3.85	-49.60
C[N@H+](CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024580178	0	53	0.0	-70.12	419.75	3.60	-66.52
C[N@@H+](CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024580178	1	53	0.0	-70.78	419.80	3.60	-67.18
C[NH+]1CC(CC(=O)NC2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024580206	0	53	0.0	-52.42	402.23	4.24	-48.18
C[NH+](C)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580209	0	49	0.0	-73.43	390.49	2.20	-71.23
C[C@@H](C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024580212	0	52	0.0	-72.20	408.38	2.61	-69.59
CC1CC[N@@H+]1CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580221	1	53	0.0	-48.53	402.57	4.47	-44.06
CC1CC[N@H+]1CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580221	1	53	0.0	-71.20	416.08	3.00	-68.20
C[NH+](C)CC=CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580222	0	53	0.0	-52.01	406.78	4.61	-47.40
CC[NH+](CC)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580228	0	55	0.0	-71.68	421.98	3.27	-68.41
O=C(C[NH+]1CCC1)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580229	1	50	0.0	-52.29	383.16	3.86	-48.43
CC(C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300024580252	1	53	0.0	-72.58	420.49	3.12	-69.46
NC(=[NH2+])SCC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580292	0	47	0.0	-72.08	399.19	-0.94	-73.02
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580324	0	53	0.0	-58.97	380.82	4.19	-54.78
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024580324	1	53	0.0	-62.33	409.05	2.64	-59.69
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580507	0	50	0.0	-78.46	395.26	2.74	-75.72
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580507	1	50	0.0	-75.13	401.11	3.14	-71.99
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024580531	1	51	0.0	-93.01	412.58	2.65	-90.36
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024580531	1	51	0.0	-92.87	412.64	2.65	-90.22
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580670	1	48	0.0	-75.18	404.52	3.83	-71.35
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024580689	0	53	0.0	-83.67	411.75	3.15	-80.52
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024580689	1	53	0.0	-82.31	418.12	3.46	-78.85
C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024580710	0	53	0.0	-85.50	402.94	3.40	-82.10
CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024580712	0	55	0.0	-75.13	418.96	3.87	-71.26
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024580722	0	53	0.0	-76.76	421.05	4.17	-72.59
C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024580722	1	53	0.0	-77.26	421.02	4.16	-73.10
C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024580748	0	53	0.0	-83.97	419.61	3.86	-80.11
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580754	0	53	0.0	-76.04	407.70	3.62	-72.42
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580754	1	53	0.0	-76.29	407.03	3.58	-72.71
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580771	1	48	0.0	-78.11	404.89	4.57	-73.54
C[N@@H+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024580781	0	53	0.0	-81.72	421.36	3.78	-77.94
C[N@H+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024580781	1	53	0.0	-80.26	421.92	3.80	-76.46
CCC(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024580784	0	52	0.0	-77.34	408.90	3.37	-73.97
C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580798	0	55	0.0	-81.06	440.40	4.35	-76.71
CC(C)C(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024580802	0	55	0.0	-77.11	421.27	4.08	-73.03
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580803	0	55	0.0	-81.44	436.48	4.16	-77.28
CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580803	1	55	0.0	-81.44	437.00	4.16	-77.28
CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580804	0	52	0.0	-79.24	414.26	3.61	-75.63
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580804	1	52	0.0	-79.28	414.25	3.61	-75.67
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580819	0	50	0.0	-78.08	395.11	2.75	-75.33
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580819	1	50	0.0	-75.44	401.68	3.27	-72.17
CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580831	0	52	0.0	-77.28	410.73	3.53	-73.75
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024580885	0	53	0.0	-86.05	421.06	4.52	-81.53
C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024580909	0	53	0.0	-83.97	419.61	3.86	-80.11
CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024580924	0	55	0.0	-75.20	420.07	3.77	-71.43
CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580952	0	52	0.0	-80.56	414.98	3.39	-77.17
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580952	1	52	0.0	-80.55	414.99	3.39	-77.16
CC1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580963	0	53	0.0	-75.81	414.09	3.56	-72.25
CC1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024580963	1	53	0.0	-76.51	420.01	3.88	-72.63
CC1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024580964	0	53	0.0	-78.33	420.44	3.88	-74.45
CC1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024580964	1	53	0.0	-78.71	420.90	3.94	-74.77
CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024580966	0	52	0.0	-75.10	405.73	3.22	-71.88
C[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581003	0	46	0.0	-79.45	375.04	2.19	-77.26
CN1C=C[N+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024581004	0	48	0.0	-76.44	406.26	5.71	-70.73
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024581007	0	53	0.0	-79.23	419.77	3.82	-75.41
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024581007	1	53	0.0	-71.22	413.37	4.01	-67.21
CC(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024581015	1	50	0.0	-76.30	403.03	3.27	-73.03
C[NH+](C)CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581018	0	55	0.0	-75.93	418.79	3.89	-72.04
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024581025	0	50	0.0	-76.11	404.60	3.60	-72.51
C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024581025	1	50	0.0	-76.74	404.55	3.61	-73.13
C[NH+]1CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024581036	0	50	0.0	-79.42	406.08	2.92	-76.50
C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024581048	0	49	0.0	-77.42	392.96	2.62	-74.80
[N-]=[N+]=NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NC(=O)NN1	REAL300024581055	0	40	0.0	-28.17	352.16	-2.21	-30.38
C[N@H+](CCO)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581087	0	53	0.0	-80.18	425.85	0.20	-79.98
C[N@@H+](CCO)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581087	1	53	0.0	-79.76	425.94	0.18	-79.58
C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024581088	0	49	0.0	-77.42	392.96	2.62	-74.80
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581091	0	53	0.0	-76.07	408.07	3.59	-72.48
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581091	1	53	0.0	-75.24	417.39	3.81	-71.43
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024581128	0	51	0.0	-81.38	413.88	3.74	-77.64
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024581128	1	51	0.0	-81.10	413.84	3.72	-77.38
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581138	0	53	0.0	-77.77	430.89	3.25	-74.52
C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024581149	0	49	0.0	-77.12	393.11	2.58	-74.54
CC1C[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024581166	1	50	0.0	-79.29	406.07	3.29	-76.00
C[N@H+](CCO)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581179	1	50	0.0	-79.98	403.10	-0.37	-80.35
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581179	1	50	0.0	-79.60	403.16	-0.35	-79.95
CC(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024581191	0	55	0.0	-80.21	432.34	4.21	-76.00
CC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581193	0	49	0.0	-78.85	392.75	2.87	-75.98
CC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581193	1	49	0.0	-78.92	392.76	2.87	-76.05
CC[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024581203	0	53	0.0	-75.44	423.81	4.22	-71.22
CC[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024581203	1	53	0.0	-76.31	420.98	4.17	-72.14
CC[NH+](CC)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581209	0	55	0.0	-79.79	433.51	4.13	-75.66
C[NH+](C)CC=CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581224	0	50	0.0	-83.24	411.34	3.41	-79.83
COCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581233	1	53	0.0	-79.35	425.40	2.05	-77.30
COCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581233	1	53	0.0	-80.37	425.35	2.04	-78.33
CC(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024581242	0	55	0.0	-78.07	432.65	3.92	-74.15
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581246	1	50	0.0	-76.54	400.08	2.91	-73.63
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581246	1	50	0.0	-78.74	406.81	3.19	-75.55
C=CCC(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024581271	0	53	0.0	-74.87	418.37	3.70	-71.17
O=C(C[NH+]1CC2CC2C1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581279	0	51	0.0	-79.60	410.53	4.09	-75.51
CCCC(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024581285	0	55	0.0	-77.92	430.52	4.13	-73.79
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581287	0	52	0.0	-83.78	398.87	3.14	-80.64
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581297	0	53	0.0	-76.04	407.70	3.62	-72.42
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581297	1	53	0.0	-76.29	407.03	3.58	-72.71
C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024581334	0	50	0.0	-82.84	393.58	3.40	-79.44
O=C(CC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581335	0	53	0.0	-80.45	423.75	3.90	-76.55
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@H]3CC[C@@H]1N3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581345	0	51	0.0	-83.76	404.13	3.25	-80.51
C[N@H+]1CC2CC1(C(=O)N[C@H]1C[C@H]3CC[C@@H]1N3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581345	1	51	0.0	-84.03	406.33	3.30	-80.73
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581381	0	52	0.0	-79.98	413.44	3.46	-76.52
CC(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024581404	1	53	0.0	-76.18	422.38	3.90	-72.28
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581405	1	50	0.0	-77.75	406.17	3.31	-74.44
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581405	1	50	0.0	-78.09	406.27	3.27	-74.82
C[NH+](C)CC(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581407	0	53	0.0	-83.85	427.73	1.19	-82.66
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024581437	0	53	0.0	-78.94	424.70	3.89	-75.05
CC(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024581438	0	55	0.0	-79.21	435.08	4.09	-75.12
C[N@@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581608	0	50	0.0	-73.15	397.68	2.93	-70.22
C[N@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581608	1	50	0.0	-73.80	398.76	3.08	-70.72
C[N@@H+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024581784	0	53	0.0	-79.94	421.61	3.74	-76.20
C[N@H+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024581784	1	53	0.0	-81.11	421.12	3.76	-77.35
CCC(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024581787	0	52	0.0	-72.46	402.74	2.97	-69.49
C[NH+](C)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581797	0	55	0.0	-81.83	440.71	4.31	-77.52
CC(C)C(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024581802	0	55	0.0	-75.66	415.30	3.60	-72.06
CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581803	0	55	0.0	-80.87	436.63	4.13	-76.74
CCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581803	1	55	0.0	-80.86	436.66	4.15	-76.71
CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581804	0	52	0.0	-76.57	414.10	3.58	-72.99
CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581804	1	52	0.0	-76.64	414.16	3.56	-73.08
C[NH+](C)CC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024581843	0	53	0.0	-79.85	424.09	3.77	-76.08
CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581849	0	52	0.0	-79.74	414.92	3.39	-76.35
CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581849	1	52	0.0	-80.04	415.13	3.38	-76.66
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024581873	0	53	0.0	-84.49	415.17	3.56	-80.93
CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024581888	0	55	0.0	-75.88	415.94	3.79	-72.09
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CCC1	REAL300024581912	0	53	0.0	-79.29	400.82	3.01	-76.28
CC1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581937	0	53	0.0	-74.08	420.37	3.95	-70.13
CC1CCC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581937	1	53	0.0	-73.84	420.35	3.81	-70.03
CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024581948	0	55	0.0	-75.66	414.62	3.63	-72.03
CC1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024581956	0	53	0.0	-75.31	421.15	3.80	-71.51
CC1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024581956	1	53	0.0	-76.01	420.72	3.87	-72.14
CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024581958	0	52	0.0	-72.67	404.42	3.05	-69.62
CC1=[NH+]C=CN1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024581997	1	48	0.0	-73.55	403.81	3.75	-69.80
CC1=C[NH+]=CN1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582015	1	48	0.0	-76.41	405.16	4.51	-71.90
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300024582016	0	53	0.0	-83.80	410.51	3.09	-80.71
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300024582016	1	53	0.0	-82.47	416.70	3.36	-79.11
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300024582048	0	53	0.0	-74.09	421.11	4.14	-69.95
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300024582048	1	53	0.0	-74.47	420.94	4.13	-70.34
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024582055	0	53	0.0	-84.49	415.17	3.56	-80.93
C[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582068	0	50	0.0	-76.34	393.56	2.62	-73.72
C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582068	1	50	0.0	-73.54	398.41	3.06	-70.48
C[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582111	0	53	0.0	-73.89	403.72	3.26	-70.63
C[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582111	1	53	0.0	-72.77	415.67	3.71	-69.06
CC1C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300024582140	0	53	0.0	-79.07	418.22	3.41	-75.66
CC1C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300024582140	1	53	0.0	-80.21	411.37	3.35	-76.86
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024582181	0	49	0.0	-75.23	391.68	2.51	-72.72
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCCC1	REAL300024582199	0	53	0.0	-79.80	422.69	3.83	-75.97
C[N@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582204	1	50	0.0	-77.62	403.01	-0.42	-78.04
C[N@@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582204	1	50	0.0	-77.32	403.02	-0.39	-77.71
CC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024582250	1	50	0.0	-78.15	405.40	3.31	-74.84
CC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582284	0	49	0.0	-76.36	392.59	2.83	-73.53
CC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582284	1	49	0.0	-76.47	392.55	2.83	-73.64
COCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582337	1	53	0.0	-76.98	425.27	2.01	-74.97
COCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582337	1	53	0.0	-77.88	425.27	1.99	-75.89
CC(CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024582339	0	55	0.0	-83.68	428.54	3.90	-79.78
CC[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024582344	0	53	0.0	-72.55	423.75	4.15	-68.40
CC[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024582344	1	53	0.0	-73.88	421.45	4.12	-69.76
C[N@@H+]1CC2CC1(C(=O)N1[C@@H]3CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300024582357	0	51	0.0	-81.18	403.01	3.33	-77.85
C[N@H+]1CC2CC1(C(=O)N1[C@@H]3CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300024582357	1	51	0.0	-73.01	394.68	2.72	-70.29
CC(C[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582366	0	52	0.0	-79.38	409.35	3.13	-76.25
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024582372	0	50	0.0	-80.50	395.89	2.65	-77.85
C[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024582382	0	49	0.0	-74.89	391.80	2.48	-72.41
CC[N@@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582385	1	50	0.0	-73.90	398.55	2.80	-71.10
CC[N@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582385	1	50	0.0	-74.34	397.70	2.73	-71.61
NC1=CC=[NH+]C=C1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582400	0	46	0.0	-79.85	381.95	0.09	-79.76
CCCC(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024582404	0	55	0.0	-74.14	425.53	3.92	-70.22
C[NH+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582407	0	52	0.0	-79.25	395.85	2.54	-76.71
CC(CC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582416	0	55	0.0	-79.69	431.18	3.78	-75.91
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CC2CC2C1	REAL300024582476	0	51	0.0	-76.79	409.82	3.98	-72.81
C[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582486	0	53	0.0	-73.89	403.72	3.26	-70.63
C[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582486	1	53	0.0	-72.77	415.67	3.71	-69.06
C[N@@H+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024582514	0	51	0.0	-81.84	412.21	3.66	-78.18
C[N@H+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024582514	1	51	0.0	-81.71	412.36	3.66	-78.05
[N-]=[N+]=NCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NC(=O)NN1)C2	REAL300024582521	0	40	0.0	-28.67	351.85	-2.24	-30.91
CCC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024582537	0	53	0.0	-78.21	427.68	4.01	-74.20
C[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582542	0	50	0.0	-73.23	397.58	2.93	-70.30
C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582542	1	50	0.0	-76.16	393.07	2.65	-73.51
C[NH+](C)[C@H]1C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024582585	0	53	0.0	-78.80	424.57	3.87	-74.93
C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582602	0	53	0.0	-77.56	430.55	3.25	-74.31
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCCC1	REAL300024582636	0	53	0.0	-76.51	416.74	4.04	-72.47
C[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024582637	0	53	0.0	-69.39	409.26	3.69	-65.70
C[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024582637	1	53	0.0	-78.95	415.31	3.51	-75.44
CN1C=C[N+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300024582638	0	48	0.0	-74.41	406.43	5.65	-68.76
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024582648	0	50	0.0	-73.44	404.35	3.58	-69.86
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024582648	1	50	0.0	-74.19	404.49	3.58	-70.61
CC(CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300024582656	0	55	0.0	-80.36	432.05	4.19	-76.17
C[NH+]1CC(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024582706	0	50	0.0	-79.09	406.32	2.99	-76.10
C[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582713	0	46	0.0	-77.34	375.03	2.16	-75.18
C[N@H+](CCO)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582723	0	53	0.0	-79.61	425.48	0.17	-79.44
C[N@@H+](CCO)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582723	1	53	0.0	-79.16	425.48	0.17	-78.99
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024582724	0	49	0.0	-75.23	391.68	2.51	-72.72
CC(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300024582738	0	53	0.0	-74.94	418.77	3.62	-71.32
CC1CC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582739	1	50	0.0	-74.67	401.19	2.93	-71.74
CC1CC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582739	1	50	0.0	-75.91	406.13	3.23	-72.68
C[NH+](C)CC=CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582741	0	50	0.0	-83.88	410.84	3.39	-80.49
CC1(C)C[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024582745	1	53	0.0	-77.33	425.46	3.77	-73.56
CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582761	0	52	0.0	-75.03	406.46	3.25	-71.78
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCC1	REAL300024582766	1	47	0.0	-77.32	385.13	2.63	-74.69
CC[NH+](CC)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582786	0	55	0.0	-79.62	428.83	3.85	-75.77
CC(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300024582815	0	50	0.0	-73.76	398.39	2.88	-70.88
C[NH+](C)CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582819	0	55	0.0	-71.27	413.64	3.33	-67.94
C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582840	0	53	0.0	-74.11	404.34	3.27	-70.84
C[N@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582840	1	53	0.0	-72.78	415.65	3.71	-69.07
C[NH+](C)CC(O)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024582850	0	53	0.0	-84.02	427.84	1.21	-82.81
C=CCC(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024582862	0	53	0.0	-75.71	421.94	3.77	-71.94
NC(=[NH2+])SCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024582885	0	44	0.0	-81.72	383.56	-0.93	-82.65
CCC1C[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024582945	1	53	0.0	-80.34	427.72	4.10	-76.24
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024582949	0	50	0.0	-74.87	400.89	3.15	-71.72
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024582949	1	50	0.0	-78.47	395.04	2.75	-75.72
O=C(C[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024582956	0	53	0.0	-79.05	416.73	4.04	-75.01
CC1C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024582960	0	53	0.0	-77.42	419.80	3.71	-73.71
CC1C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024582960	1	53	0.0	-77.90	420.67	3.77	-74.13
C[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583169	0	50	0.0	-62.01	403.63	2.52	-59.49
C[N@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583169	1	50	0.0	-64.02	397.81	2.13	-61.89
C[N@@H+]1CCOC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024583193	1	51	0.0	-68.06	408.26	1.82	-66.24
C[N@H+]1CCOC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024583193	1	51	0.0	-70.98	415.59	2.02	-68.96
CC1=[NH+]C=CN1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583332	1	48	0.0	-62.18	407.27	3.20	-58.98
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024583351	0	53	0.0	-67.19	414.36	2.57	-64.62
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024583351	1	53	0.0	-65.56	420.03	3.02	-62.54
C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024583372	0	53	0.0	-62.09	417.40	3.22	-58.87
CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024583374	0	55	0.0	-64.14	426.18	3.69	-60.45
C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024583384	0	53	0.0	-62.68	424.44	3.57	-59.11
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024583384	1	53	0.0	-63.21	423.89	3.56	-59.65
C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024583410	0	53	0.0	-67.82	422.37	3.26	-64.56
C[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583416	0	53	0.0	-62.65	410.52	3.01	-59.64
C[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583416	1	53	0.0	-63.35	410.50	3.01	-60.34
CC1=C[NH+]=CN1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583433	1	48	0.0	-65.05	407.63	3.93	-61.12
C[N@@H+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024583443	0	53	0.0	-67.14	425.02	3.15	-63.99
C[N@H+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024583443	1	53	0.0	-67.65	424.19	3.19	-64.46
CCC(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024583446	0	52	0.0	-62.30	408.68	2.52	-59.78
C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583460	0	55	0.0	-68.14	443.44	3.72	-64.42
CC(C)C(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024583464	0	55	0.0	-63.22	422.10	3.12	-60.10
CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583465	0	55	0.0	-66.45	439.69	3.52	-62.93
CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583465	1	55	0.0	-66.40	439.69	3.53	-62.87
CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583466	0	52	0.0	-64.68	417.23	2.97	-61.71
CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583466	1	52	0.0	-64.72	417.21	2.98	-61.74
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583481	0	50	0.0	-63.02	397.77	2.14	-60.88
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583481	1	50	0.0	-61.68	404.42	2.58	-59.10
CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583493	0	52	0.0	-62.97	414.26	2.91	-60.06
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024583547	0	53	0.0	-63.52	426.59	3.21	-60.31
C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024583571	0	53	0.0	-67.82	422.37	3.26	-64.56
CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024583586	0	55	0.0	-62.83	427.22	3.81	-59.02
CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583614	0	52	0.0	-66.08	418.21	2.80	-63.28
CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583614	1	52	0.0	-65.86	418.20	2.77	-63.09
CC1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583625	0	53	0.0	-61.86	423.07	3.25	-58.61
CC1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583625	1	53	0.0	-61.47	416.59	2.94	-58.53
CC1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024583626	0	53	0.0	-63.81	423.16	3.27	-60.54
CC1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024583626	1	53	0.0	-63.75	423.66	3.33	-60.42
CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024583628	0	52	0.0	-63.14	408.05	2.64	-60.50
C[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583665	0	46	0.0	-65.23	378.00	1.54	-63.69
CN1C=C[N+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024583666	0	48	0.0	-63.26	409.13	5.08	-58.18
C[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024583669	0	53	0.0	-61.55	416.25	3.39	-58.16
C[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024583669	1	53	0.0	-66.19	422.46	3.20	-62.99
CC(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024583677	1	50	0.0	-62.83	406.11	2.66	-60.17
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583680	0	55	0.0	-63.05	423.26	3.18	-59.87
C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024583687	0	50	0.0	-62.23	407.17	2.99	-59.24
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024583687	1	50	0.0	-62.70	407.27	2.99	-59.71
C[NH+]1CC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024583698	0	50	0.0	-66.97	409.56	2.41	-64.56
C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024583710	0	49	0.0	-63.72	395.82	1.99	-61.73
[N-]=[N+]=NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NC(=O)NN1	REAL300024583717	0	40	0.0	-21.17	354.84	-2.83	-24.00
C[N@H+](CCO)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583749	0	53	0.0	-65.70	428.55	-0.44	-66.14
C[N@@H+](CCO)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583749	1	53	0.0	-66.05	428.50	-0.44	-66.49
C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024583750	0	49	0.0	-63.72	395.82	1.99	-61.73
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583753	0	53	0.0	-62.65	410.54	3.00	-59.65
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583753	1	53	0.0	-61.47	420.03	3.21	-58.26
C[N@@H+]1CCC(=CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024583790	0	51	0.0	-69.91	415.77	3.15	-66.76
C[N@H+]1CCC(=CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024583790	1	51	0.0	-69.59	416.83	3.10	-66.49
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583800	0	53	0.0	-66.20	434.05	2.60	-63.60
C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024583811	0	49	0.0	-63.11	395.97	2.01	-61.10
CC1C[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024583828	1	50	0.0	-64.77	408.19	2.72	-62.05
C[N@H+](CCO)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583841	1	50	0.0	-65.33	406.06	-1.01	-66.34
C[N@@H+](CCO)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583841	1	50	0.0	-64.50	405.87	-1.00	-65.50
CC(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024583853	0	55	0.0	-67.58	435.16	3.56	-64.02
CC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583855	0	49	0.0	-64.32	395.70	2.23	-62.09
CC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583855	1	49	0.0	-64.36	395.73	2.24	-62.12
CC[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024583865	0	53	0.0	-61.38	426.37	3.62	-57.76
CC[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024583865	1	53	0.0	-62.94	419.13	3.50	-59.44
CC[NH+](CC)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583871	0	55	0.0	-65.03	436.18	3.49	-61.54
C[NH+](C)CC=CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583886	0	50	0.0	-69.52	413.92	2.78	-66.74
COCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583895	1	53	0.0	-64.18	428.09	1.42	-62.76
COCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583895	1	53	0.0	-65.25	428.31	1.40	-63.85
CC(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024583904	0	55	0.0	-65.79	435.39	3.32	-62.47
CC[N@@H+]1CCC1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583908	1	50	0.0	-62.61	402.60	2.30	-60.31
CC[N@H+]1CCC1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583908	1	50	0.0	-62.83	402.95	2.27	-60.56
C=CCC(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024583933	0	53	0.0	-62.10	421.39	3.05	-59.05
O=C(C[NH+]1CC2CC2C1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583941	0	51	0.0	-64.10	413.33	3.44	-60.66
CCCC(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024583947	0	55	0.0	-64.22	432.93	3.52	-60.70
C[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583949	0	52	0.0	-62.53	405.09	2.75	-59.78
C[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583959	0	53	0.0	-62.65	410.52	3.01	-59.64
C[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583959	1	53	0.0	-63.35	410.50	3.01	-60.34
C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024583996	0	50	0.0	-62.65	406.42	2.94	-59.71
O=C(CC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024583997	0	53	0.0	-65.43	425.43	3.26	-62.17
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1C[C@H]3CC[C@@H]1N3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584007	0	51	0.0	-61.33	409.85	2.78	-58.55
C[N@H+]1CC2CC1(C(=O)N[C@@H]1C[C@H]3CC[C@@H]1N3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584007	1	51	0.0	-63.02	409.52	2.72	-60.30
CC(C[NH+](C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024584043	0	52	0.0	-62.40	415.99	2.95	-59.45
CC(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024584066	1	53	0.0	-62.22	426.93	3.20	-59.02
CC1CC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024584067	1	50	0.0	-62.73	403.94	2.36	-60.37
CC1CC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024584067	1	50	0.0	-62.66	404.00	2.41	-60.25
C[NH+](C)CC(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024584069	0	53	0.0	-69.76	430.89	0.54	-69.22
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024584099	0	53	0.0	-65.61	427.33	3.32	-62.29
CC(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024584100	0	55	0.0	-67.48	437.83	3.48	-64.00
C[N@@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584270	0	50	0.0	-67.87	395.77	2.02	-65.85
C[N@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584270	1	50	0.0	-66.33	401.72	2.42	-63.91
C[N@@H+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024584446	0	53	0.0	-73.72	424.63	3.19	-70.53
C[N@H+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024584446	1	53	0.0	-72.17	424.35	3.16	-69.01
CCC(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024584449	0	52	0.0	-65.83	407.00	2.47	-63.36
C[NH+](C)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584459	0	55	0.0	-72.13	443.59	3.70	-68.43
CC(C)C(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024584464	0	55	0.0	-67.08	418.00	3.00	-64.08
CCC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584465	0	55	0.0	-72.80	439.70	3.53	-69.27
CCC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584465	1	55	0.0	-72.61	439.70	3.55	-69.06
CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584466	0	52	0.0	-70.31	417.34	3.00	-67.31
CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584466	1	52	0.0	-70.45	417.35	3.00	-67.45
C[NH+](C)CC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024584505	0	53	0.0	-74.44	427.08	3.16	-71.28
CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584511	0	52	0.0	-72.04	418.20	2.80	-69.24
CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584511	1	52	0.0	-71.91	418.21	2.79	-69.12
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024584535	0	53	0.0	-74.10	418.15	2.95	-71.15
CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024584550	0	55	0.0	-67.02	418.17	2.97	-64.05
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CCC1	REAL300024584574	0	53	0.0	-68.67	402.82	2.44	-66.23
CC1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584599	0	53	0.0	-66.76	416.71	2.90	-63.86
CC1CCC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584599	1	53	0.0	-67.27	423.23	3.30	-63.97
CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024584610	0	55	0.0	-69.20	420.56	2.98	-66.22
CC1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024584618	0	53	0.0	-69.65	423.28	3.29	-66.36
CC1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024584618	1	53	0.0	-69.45	423.85	3.30	-66.15
CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024584620	0	52	0.0	-67.10	407.37	2.44	-64.66
CC1=[NH+]C=CN1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584659	1	48	0.0	-65.89	407.40	3.14	-62.75
CC1=C[NH+]=CN1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584677	1	48	0.0	-69.49	407.62	3.86	-65.63
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300024584678	0	53	0.0	-75.58	413.25	2.49	-73.09
C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300024584678	1	53	0.0	-74.74	419.89	2.79	-71.95
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300024584710	0	53	0.0	-67.72	424.21	3.55	-64.17
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300024584710	1	53	0.0	-68.66	424.36	3.57	-65.09
C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024584717	0	53	0.0	-74.10	418.15	2.95	-71.15
C[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584730	0	50	0.0	-67.23	395.86	2.01	-65.22
C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584730	1	50	0.0	-66.86	401.53	2.44	-64.42
C[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584773	0	53	0.0	-67.63	418.73	3.09	-64.54
C[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584773	1	53	0.0	-65.37	418.77	3.10	-62.27
CC1C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300024584802	0	53	0.0	-72.91	413.93	2.76	-70.15
CC1C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300024584802	1	53	0.0	-67.95	416.08	2.61	-65.34
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024584843	0	49	0.0	-69.02	394.81	1.87	-67.15
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCCC1	REAL300024584861	0	53	0.0	-71.23	425.53	3.24	-67.99
C[N@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584866	1	50	0.0	-71.32	405.87	-1.00	-72.32
C[N@@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584866	1	50	0.0	-70.33	405.95	-0.98	-71.31
CC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024584912	1	50	0.0	-70.42	409.31	2.63	-67.79
CC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584946	0	49	0.0	-69.95	395.67	2.22	-67.73
CC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584946	1	49	0.0	-70.04	395.66	2.21	-67.83
COCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584999	1	53	0.0	-69.88	428.19	1.42	-68.46
COCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024584999	1	53	0.0	-71.71	428.12	1.40	-70.31
CC(CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024585001	0	55	0.0	-75.50	431.76	3.30	-72.20
CC[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024585006	0	53	0.0	-66.42	426.52	3.58	-62.84
CC[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024585006	1	53	0.0	-68.72	419.13	3.45	-65.27
C[N@@H+]1CC2CC1(C(=O)N1[C@@H]3CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300024585019	0	51	0.0	-73.51	405.84	2.72	-70.79
C[N@H+]1CC2CC1(C(=O)N1[C@@H]3CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300024585019	1	51	0.0	-65.78	397.91	2.15	-63.63
CC(C[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585028	0	52	0.0	-71.69	412.45	2.52	-69.17
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024585034	0	50	0.0	-72.91	399.45	2.06	-70.85
C[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024585044	0	49	0.0	-67.35	394.50	1.88	-65.47
CC[N@@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585047	1	50	0.0	-67.51	401.29	2.24	-65.27
CC[N@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585047	1	50	0.0	-69.19	409.72	2.53	-66.66
NC1=CC=[NH+]C=C1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585062	0	46	0.0	-70.51	385.21	-0.52	-71.03
CCCC(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024585066	0	55	0.0	-66.48	428.46	3.23	-63.25
C[NH+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585069	0	52	0.0	-69.74	398.89	1.95	-67.79
CC(CC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585078	0	55	0.0	-71.51	433.60	3.15	-68.36
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CC2CC2C1	REAL300024585138	0	51	0.0	-69.82	413.55	3.40	-66.42
C[N@@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585148	0	53	0.0	-67.63	418.73	3.09	-64.54
C[N@H+]1CCCCC1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585148	1	53	0.0	-65.37	418.77	3.10	-62.27
C[N@@H+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024585176	0	51	0.0	-73.46	414.54	3.11	-70.35
C[N@H+]1CCC(=CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024585176	1	51	0.0	-73.47	414.22	3.08	-70.39
[N-]=[N+]=NCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NC(=O)NN1)C2	REAL300024585183	0	40	0.0	-23.03	354.96	-2.87	-25.90
CCC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024585199	0	53	0.0	-71.26	430.36	3.35	-67.91
C[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585204	0	50	0.0	-66.66	399.93	2.34	-64.32
C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585204	1	50	0.0	-70.02	395.91	2.02	-68.00
C[NH+](C)[C@H]1C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024585247	0	53	0.0	-72.43	427.49	3.26	-69.17
C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585264	0	53	0.0	-68.90	433.61	2.68	-66.22
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCCC1	REAL300024585298	0	53	0.0	-69.43	419.65	3.41	-66.02
C[N@@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024585299	0	53	0.0	-62.87	412.05	3.08	-59.79
C[N@H+]1CCCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024585299	1	53	0.0	-71.14	418.31	2.95	-68.19
CN1C=C[N+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300024585300	0	48	0.0	-66.87	409.36	5.07	-61.80
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024585310	0	50	0.0	-67.07	407.05	2.97	-64.10
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024585310	1	50	0.0	-68.00	407.20	2.97	-65.03
CC(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300024585318	0	55	0.0	-71.68	435.30	3.61	-68.07
C[NH+]1CC(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024585368	0	50	0.0	-71.87	409.55	2.40	-69.47
C[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585375	0	46	0.0	-70.72	378.00	1.53	-69.19
C[N@H+](CCO)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585385	0	53	0.0	-71.21	428.55	-0.42	-71.63
C[N@@H+](CCO)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585385	1	53	0.0	-71.62	428.55	-0.45	-72.07
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024585386	0	49	0.0	-69.02	394.81	1.87	-67.15
CC(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300024585400	0	53	0.0	-66.70	421.42	2.94	-63.76
CC1CC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585401	1	50	0.0	-68.74	409.12	2.63	-66.11
CC1CC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585401	1	50	0.0	-69.55	409.26	2.61	-66.94
C[NH+](C)CC=CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585403	0	50	0.0	-75.10	412.28	2.74	-72.36
CC1(C)C[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024585407	1	53	0.0	-70.68	428.43	3.18	-67.50
CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585423	0	52	0.0	-67.72	413.59	2.88	-64.84
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCC1	REAL300024585428	1	47	0.0	-70.41	388.22	2.00	-68.41
CC[NH+](CC)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585448	0	55	0.0	-71.23	431.70	3.19	-68.04
CC(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300024585477	0	50	0.0	-67.75	401.62	2.35	-65.40
C[NH+](C)CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585481	0	55	0.0	-64.16	415.99	2.69	-61.47
C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585502	0	53	0.0	-66.83	406.70	2.67	-64.16
C[N@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585502	1	53	0.0	-65.39	418.40	3.11	-62.28
C[NH+](C)CC(O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585512	0	53	0.0	-75.29	430.27	0.62	-74.67
C=CCC(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024585524	0	53	0.0	-66.57	419.83	2.92	-63.65
NC(=[NH2+])SCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024585547	0	44	0.0	-65.32	386.72	-1.58	-66.90
CCC1C[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024585607	1	53	0.0	-65.11	430.70	3.42	-61.69
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024585611	0	50	0.0	-62.56	403.86	2.61	-59.95
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024585611	1	50	0.0	-64.09	397.93	2.14	-61.95
O=C(C[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024585618	0	53	0.0	-63.72	419.50	3.46	-60.26
CC1C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024585622	0	53	0.0	-64.34	418.44	2.96	-61.38
CC1C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024585622	1	53	0.0	-63.61	418.98	2.81	-60.80
C[N@@H+]1CCCC1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585804	0	53	0.0	-75.77	408.95	2.07	-73.70
C[N@H+]1CCCC1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585804	1	53	0.0	-64.42	414.32	2.59	-61.83
CCC(C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024585898	0	55	0.0	-63.44	422.11	3.11	-60.33
CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585902	0	55	0.0	-75.87	429.34	2.94	-72.93
CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585902	1	55	0.0	-75.81	429.44	2.95	-72.86
C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585908	0	53	0.0	-69.12	407.15	2.04	-67.08
C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585908	1	53	0.0	-72.38	416.58	2.61	-69.77
CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585911	0	55	0.0	-73.95	421.71	2.62	-71.33
CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585953	0	55	0.0	-77.01	430.38	2.76	-74.25
CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585953	1	55	0.0	-77.10	430.21	2.75	-74.35
CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024585956	0	55	0.0	-63.51	422.19	3.11	-60.40
C[NH+](C)CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024585971	0	49	0.0	-76.03	390.12	1.53	-74.50
CC(C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300024585975	1	53	0.0	-72.79	417.81	2.61	-70.18
C[N@H+](CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024585982	0	53	0.0	-64.47	417.71	2.94	-61.53
C[N@@H+](CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024585982	1	53	0.0	-64.26	417.78	2.94	-61.32
C[NH+]1CC(CC(=O)N[C@]23CCC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024585987	0	53	0.0	-67.05	419.94	2.35	-64.70
C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024585994	0	52	0.0	-73.56	408.16	1.93	-71.63
[N-]=[N+]=NCC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300024585997	0	43	0.0	-26.33	367.10	-2.87	-29.20
C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024586013	0	52	0.0	-73.56	408.16	1.93	-71.63
C[C@H](C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024586037	0	52	0.0	-67.10	407.14	1.98	-65.12
CC1C[NH+](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024586044	1	53	0.0	-76.48	420.27	2.70	-73.78
C[N@H+](CCO)CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586054	1	53	0.0	-76.25	418.21	-1.04	-77.29
C[N@@H+](CCO)CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586054	1	53	0.0	-76.49	418.07	-1.04	-77.53
CC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586059	0	52	0.0	-75.44	407.85	2.18	-73.26
CC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586059	1	52	0.0	-75.39	407.85	2.21	-73.18
C[NH+](C)CC=CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586074	0	53	0.0	-70.84	424.39	2.74	-68.10
CC[N@@H+]1CCC1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586079	1	53	0.0	-65.47	413.44	2.24	-63.23
CC[N@H+]1CCC1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586079	1	53	0.0	-66.33	420.30	2.49	-63.84
CC(C[NH+](C)C)C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586122	0	55	0.0	-76.34	428.58	2.82	-73.52
CC1CC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586132	1	53	0.0	-74.81	421.44	2.62	-72.19
CC1CC[N@H+]1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586132	1	53	0.0	-64.50	414.24	2.36	-62.14
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586244	0	53	0.0	-73.03	413.36	2.28	-70.75
C[N@H+]1CCCC1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586244	1	53	0.0	-74.72	407.04	1.96	-72.76
CCC(C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024586318	0	55	0.0	-70.71	415.67	2.30	-68.41
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586322	0	55	0.0	-76.75	429.35	2.90	-73.85
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586322	1	55	0.0	-76.65	429.41	2.90	-73.75
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586339	0	55	0.0	-79.67	430.42	2.74	-76.93
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586339	1	55	0.0	-79.58	430.43	2.75	-76.83
CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024586380	0	55	0.0	-75.63	420.82	2.56	-73.07
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586426	0	53	0.0	-74.02	406.84	1.99	-72.03
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586426	1	53	0.0	-73.36	408.24	2.22	-71.14
C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024586481	0	52	0.0	-73.95	405.78	1.84	-72.11
C[N@H+](CCO)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586491	1	53	0.0	-77.64	418.26	-1.07	-78.71
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586491	1	53	0.0	-77.25	418.00	-1.08	-78.33
CC1C[NH+](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024586507	1	53	0.0	-75.35	419.96	2.55	-72.80
CC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586525	0	52	0.0	-76.43	407.85	2.15	-74.28
CC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586525	1	52	0.0	-76.39	408.07	2.16	-74.23
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586558	0	55	0.0	-68.23	422.69	2.56	-65.67
C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024586561	0	53	0.0	-80.50	411.60	2.13	-78.37
C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024586565	0	52	0.0	-73.49	405.01	1.83	-71.66
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586568	1	53	0.0	-75.48	419.87	2.37	-73.11
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586568	1	53	0.0	-72.98	411.65	2.07	-70.91
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586577	0	55	0.0	-80.19	410.89	2.52	-77.67
[N-]=[N+]=NCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024586626	0	43	0.0	-27.19	367.14	-2.90	-30.09
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586639	0	53	0.0	-73.04	413.29	2.26	-70.78
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586639	1	53	0.0	-75.88	408.44	1.99	-73.89
C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024586676	0	53	0.0	-73.19	419.45	2.90	-70.29
C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024586676	1	53	0.0	-74.04	419.65	2.93	-71.11
C[NH+]1CC(CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024586704	0	53	0.0	-79.02	421.61	2.35	-76.67
C[NH+](C)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586707	0	49	0.0	-77.18	390.32	1.50	-75.68
C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024586710	0	52	0.0	-73.95	405.78	1.84	-72.11
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586719	1	53	0.0	-74.25	419.75	2.55	-71.70
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586719	1	53	0.0	-75.91	421.40	2.56	-73.35
C[NH+](C)CC=CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586720	0	53	0.0	-83.31	426.49	2.74	-80.57
CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586726	0	55	0.0	-73.59	420.22	2.56	-71.03
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC1)C2	REAL300024586727	1	50	0.0	-75.84	398.81	1.95	-73.89
CC(C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024586750	1	53	0.0	-74.32	414.35	2.27	-72.05
NC(=[NH2+])SCC(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586790	0	47	0.0	-69.24	396.28	-1.53	-70.77
C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586818	0	53	0.0	-71.47	415.72	2.48	-68.99
C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024586818	1	53	0.0	-73.89	409.72	2.07	-71.82
C[NH+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024586869	0	45	0.0	-67.74	390.41	1.05	-66.69
[N-]=[N+]=NCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024586874	1	39	0.0	-23.92	367.21	-3.38	-27.30
[N-]=[N+]=NCC(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1C(F)(F)F	REAL300024586938	1	39	0.0	-24.55	367.18	-3.32	-27.87
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C(F)(F)F	REAL300024586945	0	45	0.0	-67.13	390.27	1.09	-66.04
C[NH+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024587054	0	52	0.0	-72.03	412.23	2.55	-69.48
C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024587059	0	55	0.0	-72.18	430.35	3.15	-69.03
[N-]=[N+]=NCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024587062	0	46	0.0	-24.43	389.20	-1.84	-26.27
C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024587072	0	55	0.0	-72.18	430.35	3.15	-69.03
O=C(CSC1=NNC(=O)[N-]1)NC[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC1)C2	REAL300024587080	1	53	0.0	-73.53	424.20	2.88	-70.65
C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024587085	0	55	0.0	-71.34	430.42	3.10	-68.24
CC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024587097	0	55	0.0	-73.06	431.84	3.15	-69.91
CC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024587097	1	55	0.0	-73.06	431.77	3.13	-69.93
C[C@@H](C(=O)NC[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024587243	0	55	0.0	-69.31	430.16	3.02	-66.29
CC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024587262	0	55	0.0	-69.24	429.97	3.29	-65.95
CC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024587262	1	55	0.0	-69.13	429.89	3.29	-65.84
C[C@H](C(=O)NC[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024587275	0	55	0.0	-66.45	430.20	3.06	-63.39
[N-]=[N+]=NCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300024587300	0	46	0.0	-22.62	390.71	-1.57	-24.19
C[NH+](C)CC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024587331	0	52	0.0	-69.84	412.16	2.61	-67.23
C[C@@H](C(=O)NC[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024587334	0	55	0.0	-69.31	430.16	3.02	-66.29
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587538	0	46	0.0	-72.34	362.06	1.93	-70.41
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587538	1	46	0.0	-70.50	361.52	1.95	-68.55
C[N@@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024587562	1	47	0.0	-73.95	368.89	1.48	-72.47
C[N@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024587562	1	47	0.0	-73.39	369.35	1.50	-71.89
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCCCCC1	REAL300024587718	0	55	0.0	-68.18	407.11	3.75	-64.43
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587720	0	55	0.0	-65.60	413.78	3.87	-61.73
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587720	1	55	0.0	-65.78	414.58	3.89	-61.89
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587740	0	52	0.0	-67.53	397.05	3.26	-64.27
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587740	1	52	0.0	-67.14	401.17	3.30	-63.84
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300024587756	0	53	0.0	-73.59	406.09	3.92	-69.67
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300024587756	1	53	0.0	-74.78	406.73	3.91	-70.87
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587774	1	50	0.0	-67.97	408.71	4.14	-63.83
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587799	1	44	0.0	-69.58	372.36	3.00	-66.58
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587800	0	53	0.0	-79.14	412.66	1.99	-77.15
O=C(CCC[NH+]1CCCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587815	0	55	0.0	-73.66	428.46	4.69	-68.97
CC(C)(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCCCC1	REAL300024587829	0	55	0.0	-67.43	403.97	3.74	-63.69
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300024587837	0	50	0.0	-76.98	380.31	2.92	-74.06
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300024587872	0	53	0.0	-68.09	394.88	3.45	-64.64
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300024587872	1	53	0.0	-65.85	407.66	4.08	-61.77
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024587882	0	49	0.0	-73.71	379.07	2.64	-71.07
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024587882	1	49	0.0	-74.56	385.27	2.79	-71.77
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024587886	0	52	0.0	-73.54	396.62	2.95	-70.59
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024587886	1	52	0.0	-73.15	401.29	3.26	-69.89
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024587895	1	50	0.0	-79.13	394.51	2.32	-76.81
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024587895	1	50	0.0	-79.63	393.59	2.30	-77.33
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587934	0	51	0.0	-77.12	402.58	3.24	-73.88
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587993	0	52	0.0	-69.17	400.09	3.40	-65.77
O=C(CCC[NH+]1CCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024587999	0	52	0.0	-73.46	412.80	3.98	-69.48
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024588003	0	51	0.0	-77.92	411.93	4.15	-73.77
O=C(CC[NH+]1CCCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588004	0	52	0.0	-74.28	406.98	3.88	-70.40
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588008	0	52	0.0	-67.18	401.34	3.63	-63.55
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588008	1	52	0.0	-68.24	390.36	3.04	-65.20
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024588020	0	55	0.0	-72.79	424.28	4.23	-68.56
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024588020	1	55	0.0	-72.17	423.77	4.25	-67.92
C[NH+](C)C1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024588023	0	49	0.0	-72.75	366.83	2.25	-70.50
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588025	0	55	0.0	-66.00	412.04	3.98	-62.02
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588025	1	55	0.0	-71.21	420.39	4.09	-67.12
CC(C)[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024588036	0	51	0.0	-69.66	384.33	2.80	-66.86
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024588073	0	49	0.0	-70.97	389.09	3.38	-67.59
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024588073	1	49	0.0	-71.25	389.20	3.39	-67.86
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1C(C)CCC1C	REAL300024588117	0	55	0.0	-67.24	399.49	3.12	-64.12
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588168	1	48	0.0	-69.57	388.05	3.13	-66.44
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588168	1	48	0.0	-70.18	394.45	3.54	-66.64
C[N@@H+]1CCCC1CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588173	0	52	0.0	-75.22	406.58	3.81	-71.41
C[N@H+]1CCCC1CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588173	1	52	0.0	-75.64	406.71	3.78	-71.86
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300024588180	0	53	0.0	-72.40	391.48	3.10	-69.30
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300024588183	0	53	0.0	-68.09	402.63	3.88	-64.21
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300024588183	1	53	0.0	-68.40	403.08	3.87	-64.53
O=C(CCCC[NH+]1CCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588198	0	55	0.0	-73.53	433.56	4.71	-68.82
C[NH+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024588209	0	49	0.0	-75.90	386.76	2.97	-72.93
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=NO1	REAL300024588238	1	48	0.0	-78.24	398.10	2.67	-75.57
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588262	0	49	0.0	-70.44	372.45	2.51	-67.93
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588262	1	49	0.0	-69.72	372.61	2.40	-67.32
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588281	0	55	0.0	-68.64	420.96	4.23	-64.41
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588281	1	55	0.0	-68.91	420.48	4.05	-64.86
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300024588366	0	44	0.0	-72.11	372.94	4.58	-67.53
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588372	1	50	0.0	-70.39	413.94	4.35	-66.04
O=C(CC[NH+]1CCOCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588376	1	50	0.0	-77.62	398.24	1.46	-76.16
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588401	1	44	0.0	-71.89	372.69	3.73	-68.16
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300024588433	0	50	0.0	-66.87	379.21	2.69	-64.18
C[NH+](C)C1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024588453	0	55	0.0	-67.26	413.22	4.02	-63.24
C[N@@H+]1CCC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024588455	0	49	0.0	-74.68	389.94	3.04	-71.64
C[N@H+]1CCC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024588455	1	49	0.0	-74.32	389.37	3.06	-71.26
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588466	0	48	0.0	-76.57	395.86	1.14	-75.43
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024588471	0	48	0.0	-71.11	372.88	2.42	-68.69
C[NH+](C)C1(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300024588481	0	55	0.0	-75.40	406.87	3.88	-71.52
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300024588515	1	44	0.0	-74.42	377.78	4.80	-69.62
C[NH+](C)CCCCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588560	0	51	0.0	-74.57	408.33	3.59	-70.98
CC(C)C(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024588578	0	51	0.0	-71.27	386.30	2.96	-68.31
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588580	0	51	0.0	-75.37	404.56	3.41	-71.96
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588580	1	51	0.0	-75.51	404.56	3.41	-72.10
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588585	0	48	0.0	-73.39	382.20	2.82	-70.57
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588585	1	48	0.0	-73.41	382.19	2.82	-70.59
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300024588605	0	50	0.0	-73.84	377.40	2.29	-71.55
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300024588605	1	50	0.0	-73.83	376.95	2.29	-71.54
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588637	0	46	0.0	-71.44	361.37	1.96	-69.48
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588637	1	46	0.0	-69.49	364.44	2.19	-67.30
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588684	0	57	0.0	-74.66	446.70	5.16	-69.50
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588684	1	57	0.0	-74.69	446.69	5.16	-69.53
CC[NH+](CC)C(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(C)C	REAL300024588687	0	57	0.0	-67.47	417.82	4.17	-63.30
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588695	0	48	0.0	-71.33	374.56	2.47	-68.86
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024588726	0	55	0.0	-71.29	417.13	4.21	-67.08
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024588726	1	55	0.0	-72.57	426.45	4.36	-68.21
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024588740	1	53	0.0	-71.03	403.46	2.62	-68.41
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024588740	1	53	0.0	-77.21	411.23	2.84	-74.37
CC1CC[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024588767	0	52	0.0	-73.54	405.54	3.88	-69.66
C[NH+]1CCC(OCC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024588790	0	53	0.0	-77.78	422.88	3.57	-74.21
C[NH+](C)CC1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024588800	0	49	0.0	-74.25	380.09	2.86	-71.39
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024588863	0	55	0.0	-73.30	417.44	3.91	-69.39
C[NH+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024588879	0	49	0.0	-75.90	386.76	2.97	-72.93
CC(C)[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024588897	0	51	0.0	-71.25	385.86	2.91	-68.34
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](CC)CC	REAL300024588927	0	54	0.0	-69.30	404.01	3.83	-65.47
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588977	0	48	0.0	-74.78	383.06	2.67	-72.11
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024588977	1	48	0.0	-74.72	383.06	2.67	-72.05
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589026	0	49	0.0	-70.40	388.38	3.19	-67.21
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589026	1	49	0.0	-70.35	388.12	3.17	-67.18
CC1CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589028	0	49	0.0	-72.30	388.31	3.08	-69.22
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589028	1	49	0.0	-72.58	388.34	3.15	-69.43
CC1(C)CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589032	0	52	0.0	-72.65	408.18	3.64	-69.01
CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589032	1	52	0.0	-72.58	408.54	3.66	-68.92
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024589033	0	54	0.0	-73.23	410.80	3.80	-69.43
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024589033	1	54	0.0	-72.93	412.75	3.95	-68.98
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024589041	0	48	0.0	-70.98	372.45	2.35	-68.63
C[NH+]1CCC(O)(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024589183	0	53	0.0	-70.82	410.59	1.83	-68.99
C[NH+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589194	0	42	0.0	-73.77	342.96	1.40	-72.37
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300024589198	0	53	0.0	-74.81	416.70	0.58	-74.23
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300024589199	0	52	0.0	-72.44	394.12	3.44	-69.00
CN1C=C[N+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024589203	0	44	0.0	-70.53	374.19	4.91	-65.62
C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589209	0	49	0.0	-78.29	387.26	2.98	-75.31
C[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589209	1	49	0.0	-66.48	377.86	3.06	-63.42
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300024589214	0	50	0.0	-67.43	396.64	3.69	-63.74
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300024589214	1	50	0.0	-69.80	390.34	3.18	-66.62
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024589238	0	46	0.0	-70.12	369.93	2.22	-67.90
CCC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024589242	0	54	0.0	-78.23	418.62	4.07	-74.16
C[NH+](C)CC(C)(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589249	0	51	0.0	-72.41	380.19	2.74	-69.67
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300024589264	0	51	0.0	-68.61	396.11	4.58	-64.03
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300024589264	1	51	0.0	-68.38	396.01	4.72	-63.66
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1	REAL300024589272	1	50	0.0	-77.76	396.08	-0.08	-77.84
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024589273	0	46	0.0	-70.14	372.25	2.80	-67.34
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024589273	1	46	0.0	-70.77	372.39	2.81	-67.96
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)N1CC[NH+](C)CC1	REAL300024589274	1	54	0.0	-72.35	415.64	1.20	-71.15
C[NH+]1CC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589292	0	46	0.0	-73.92	374.25	2.27	-71.65
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1	REAL300024589296	0	53	0.0	-72.21	414.90	4.33	-67.88
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1	REAL300024589296	1	53	0.0	-72.60	412.65	4.11	-68.49
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589304	0	52	0.0	-69.19	403.50	3.04	-66.15
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589304	1	52	0.0	-69.40	383.90	2.32	-67.08
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024589315	0	45	0.0	-70.66	359.90	1.81	-68.85
[N-]=[N+]=NCC(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024589322	0	36	0.0	-24.32	319.93	-3.00	-27.32
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589347	0	55	0.0	-73.42	416.94	4.48	-68.94
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589347	1	55	0.0	-73.34	423.95	4.52	-68.82
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N1	REAL300024589354	0	50	0.0	-78.66	407.98	3.00	-75.66
[NH2+]=C1SC=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589396	0	42	0.0	-68.69	370.02	1.58	-67.11
C[N@H+](CCO)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589406	0	49	0.0	-74.47	393.41	-0.56	-75.03
C[N@@H+](CCO)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589406	1	49	0.0	-74.00	393.37	-0.57	-74.57
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024589407	0	45	0.0	-70.66	359.90	1.81	-68.85
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589411	0	49	0.0	-70.43	372.43	2.51	-67.92
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589411	1	49	0.0	-68.95	382.22	2.92	-66.03
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589419	0	52	0.0	-74.14	392.38	-0.02	-74.16
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589419	1	52	0.0	-75.16	391.56	-0.03	-75.19
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024589481	1	43	0.0	-73.49	353.28	1.86	-71.63
C[N@@H+]1CCC(=CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589506	0	47	0.0	-75.69	380.76	2.95	-72.74
C[N@H+]1CCC(=CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589506	1	47	0.0	-75.81	380.73	2.94	-72.87
C[NH+](C)CCOCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589537	0	49	0.0	-72.50	398.84	2.52	-69.98
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589542	0	57	0.0	-76.44	447.56	4.98	-71.46
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589542	1	57	0.0	-76.46	447.55	4.97	-71.49
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024589551	0	53	0.0	-73.43	417.07	3.50	-69.93
C=CCC(C)(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024589558	0	52	0.0	-66.15	389.43	2.93	-63.22
C[S+](C)CCC(O)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589562	0	48	0.0	-76.41	403.36	0.85	-75.56
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589587	0	50	0.0	-68.18	379.29	-1.54	-69.72
CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589597	0	54	0.0	-78.76	411.35	0.70	-78.06
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589597	1	54	0.0	-78.76	411.35	0.70	-78.06
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[N@@H+]1CCCC(O)C1	REAL300024589598	0	53	0.0	-70.29	410.95	0.51	-69.78
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589615	0	53	0.0	-72.35	400.70	1.69	-70.66
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589615	1	53	0.0	-72.35	400.70	1.69	-70.66
CC1CN(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589618	0	46	0.0	-73.25	374.26	2.54	-70.71
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589618	1	46	0.0	-73.25	374.26	2.54	-70.71
CN(CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589641	0	46	0.0	-73.73	371.05	-1.17	-74.90
C[N@H+](CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589641	1	46	0.0	-73.52	370.83	-1.17	-74.69
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589641	1	46	0.0	-73.52	370.83	-1.17	-74.69
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1	REAL300024589662	0	52	0.0	-79.04	384.90	0.35	-78.69
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1	REAL300024589662	1	52	0.0	-79.04	384.90	0.35	-78.69
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589667	0	52	0.0	-66.07	395.71	3.66	-62.41
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589667	1	52	0.0	-66.07	395.71	3.66	-62.41
CC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024589669	0	51	0.0	-77.05	399.96	3.44	-73.61
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589676	0	45	0.0	-73.01	360.69	2.07	-70.94
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1	REAL300024589695	0	53	0.0	-65.59	390.50	3.00	-62.59
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CCC[N@H+]2CCCC3)CC1	REAL300024589695	1	53	0.0	-65.59	390.50	3.00	-62.59
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1	REAL300024589700	0	51	0.0	-65.52	383.63	2.89	-62.63
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1	REAL300024589700	1	51	0.0	-65.52	383.63	2.89	-62.63
CC[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024589719	0	49	0.0	-70.21	389.36	3.42	-66.79
CC[NH+](CC)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589732	0	51	0.0	-73.69	400.92	3.36	-70.33
CC1(C)CN(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589752	0	49	0.0	-73.32	393.55	3.01	-70.31
CC1(C)C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589752	1	49	0.0	-73.32	393.55	3.01	-70.31
CC1(O)CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589776	0	50	0.0	-73.53	399.52	-0.18	-73.71
C[NH+](C)CC=CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589783	0	46	0.0	-76.65	379.11	2.65	-74.00
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589801	0	52	0.0	-72.29	415.05	2.97	-69.32
C[NH+](C)CCOCCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589808	0	52	0.0	-71.91	419.78	2.25	-69.66
COCCN(C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589809	0	49	0.0	-73.34	393.08	1.23	-72.11
COCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589809	1	49	0.0	-73.95	393.30	1.24	-72.71
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589809	1	49	0.0	-73.95	393.30	1.24	-72.71
C[NH+](C)C1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300024589836	0	52	0.0	-73.01	382.69	3.05	-69.96
CC(CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024589839	0	51	0.0	-72.56	400.25	3.18	-69.38
CCN1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589845	0	46	0.0	-70.75	363.22	1.91	-68.84
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589845	1	46	0.0	-71.77	373.99	2.36	-69.41
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589845	1	46	0.0	-71.77	373.99	2.36	-69.41
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589853	0	55	0.0	-70.69	421.64	4.12	-66.57
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024589853	1	55	0.0	-70.69	421.64	4.12	-66.57
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[N@H+]2CCCC2CO)CC1	REAL300024589864	0	50	0.0	-72.18	392.60	-0.52	-72.70
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300024589886	0	53	0.0	-74.78	406.73	3.91	-70.87
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300024589886	1	53	0.0	-74.78	406.73	3.91	-70.87
C[NH+]1CCC(C)(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024589892	0	52	0.0	-71.95	390.29	2.85	-69.10
C[NH+](C)CC1=CNC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024589898	0	50	0.0	-73.82	408.90	2.78	-71.04
C=CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024589918	0	49	0.0	-71.29	386.67	2.94	-68.35
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589928	0	52	0.0	-68.86	408.01	3.44	-65.42
C[N@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589928	1	52	0.0	-68.86	408.01	3.44	-65.42
C[NH+](C)CCCCCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589931	0	54	0.0	-73.53	429.83	4.37	-69.16
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300024589939	0	47	0.0	-73.27	377.51	3.23	-70.04
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024589964	0	52	0.0	-77.88	392.52	0.07	-77.81
CCCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024589965	0	51	0.0	-71.08	393.88	3.20	-67.88
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024589969	0	48	0.0	-70.64	362.62	1.81	-68.83
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590003	0	49	0.0	-69.72	372.61	2.40	-67.32
C[N@H+]1CC=C(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024590035	0	50	0.0	-70.17	402.10	3.77	-66.40
C[N@@H+]1CC=C(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024590035	1	50	0.0	-70.17	402.10	3.77	-66.40
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)CC2([NH+]3CCCC3)CC2)CC1	REAL300024590043	0	53	0.0	-69.70	408.08	4.21	-65.49
CN(C)CC1=CC=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024590082	0	49	0.0	-77.52	404.33	3.13	-74.39
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024590082	1	49	0.0	-77.52	404.33	3.13	-74.39
O=C(C=CC[NH+]1CCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590096	0	50	0.0	-75.19	402.45	3.69	-71.50
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300024590115	0	53	0.0	-73.06	411.67	4.16	-68.90
O=C(CC[NH+]1CCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590135	0	49	0.0	-74.22	391.30	3.17	-71.05
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2C[NH+]3CCN2CC3)CC1	REAL300024590168	0	49	0.0	-77.36	375.90	-0.52	-77.88
C[N@@H+]1CC2CC1(C(=O)N1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024590177	0	47	0.0	-70.79	369.79	2.53	-68.26
C[N@H+]1CC2CC1(C(=O)N1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024590177	1	47	0.0	-71.07	369.87	2.50	-68.57
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300024590188	0	50	0.0	-70.22	387.00	3.32	-66.90
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300024590188	1	50	0.0	-70.09	386.98	3.30	-66.79
O=C(C=C1C[NH+]2CCC1CC2)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590225	0	51	0.0	-68.91	398.38	3.82	-65.09
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300024590235	1	48	0.0	-69.54	381.74	3.26	-66.28
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300024590235	1	48	0.0	-71.21	382.35	3.38	-67.83
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024590263	0	54	0.0	-71.47	419.19	1.51	-69.96
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590277	0	48	0.0	-73.81	380.51	2.52	-71.29
C[N@@H+]1CCCCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590340	0	52	0.0	-66.17	394.71	3.51	-62.66
C[N@H+]1CCCCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590340	1	52	0.0	-66.89	394.71	3.51	-63.38
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024590354	0	49	0.0	-70.01	390.86	2.83	-67.18
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590357	1	46	0.0	-71.63	374.23	2.46	-69.17
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590357	1	46	0.0	-70.76	369.28	2.29	-68.47
C[NH+](C)CC(O)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590360	0	49	0.0	-77.70	395.44	0.47	-77.23
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024590384	1	50	0.0	-80.51	390.26	2.36	-78.15
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024590384	1	50	0.0	-82.44	389.71	1.95	-80.49
O=C(CC[NH+]1CCC(O)CC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590392	0	53	0.0	-78.03	418.05	0.53	-77.50
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590394	0	55	0.0	-69.33	411.64	3.90	-65.43
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590394	1	55	0.0	-68.16	421.69	4.32	-63.84
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024590454	0	49	0.0	-72.98	392.13	3.12	-69.86
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590461	0	51	0.0	-78.23	401.37	3.14	-75.09
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300024590479	0	53	0.0	-68.84	413.05	0.69	-68.15
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300024590479	1	53	0.0	-71.38	414.17	0.68	-70.70
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590484	1	51	0.0	-70.61	400.64	3.88	-66.73
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590484	1	51	0.0	-69.81	397.69	3.70	-66.11
C[NH+]1CCN(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024590487	1	51	0.0	-72.55	401.95	0.87	-71.68
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024590495	0	54	0.0	-71.47	419.19	1.51	-69.96
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590665	0	46	0.0	-72.34	362.06	1.93	-70.41
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590665	1	46	0.0	-70.50	361.52	1.95	-68.55
C[N@@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024590691	1	47	0.0	-73.95	368.89	1.48	-72.47
C[N@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024590691	1	47	0.0	-73.39	369.35	1.50	-71.89
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590848	1	50	0.0	-70.39	413.94	4.35	-66.04
O=C(CC[NH+]1CCOCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590852	1	50	0.0	-77.62	398.24	1.46	-76.16
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300024590872	0	50	0.0	-66.87	379.21	2.69	-64.18
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300024590880	1	44	0.0	-74.42	377.78	4.80	-69.62
C[NH+](C)C1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024590928	0	55	0.0	-67.26	413.22	4.02	-63.24
C[N@@H+]1CCC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024590930	0	49	0.0	-74.68	389.94	3.04	-71.64
C[N@H+]1CCC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024590930	1	49	0.0	-74.32	389.37	3.06	-71.26
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590941	0	48	0.0	-76.57	395.86	1.14	-75.43
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024590946	0	48	0.0	-71.11	372.88	2.42	-68.69
C[NH+](C)CCCCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024590998	0	51	0.0	-74.57	408.33	3.59	-70.98
CC(C)C(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024591018	0	51	0.0	-71.27	386.30	2.96	-68.31
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591020	0	51	0.0	-75.37	404.56	3.41	-71.96
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591020	1	51	0.0	-75.51	404.56	3.41	-72.10
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591025	0	48	0.0	-73.39	382.20	2.82	-70.57
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591025	1	48	0.0	-73.41	382.19	2.82	-70.59
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300024591045	0	50	0.0	-73.84	377.40	2.29	-71.55
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300024591045	1	50	0.0	-73.83	376.95	2.29	-71.54
CCCCCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591068	0	57	0.0	-74.66	446.70	5.16	-69.50
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591068	1	57	0.0	-74.69	446.69	5.16	-69.53
CC[NH+](CC)C(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(C)C	REAL300024591071	0	57	0.0	-67.47	417.82	4.17	-63.30
CC1CC[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024591100	0	52	0.0	-73.54	405.54	3.88	-69.66
C[NH+]1CCC(OCC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024591123	0	53	0.0	-77.78	422.88	3.57	-74.21
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300024591162	0	53	0.0	-73.59	406.09	3.92	-69.67
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300024591162	1	53	0.0	-74.78	406.73	3.91	-70.87
C[NH+](C)CC1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024591171	0	49	0.0	-74.25	380.09	2.86	-71.39
CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024591181	0	55	0.0	-73.30	417.44	3.91	-69.39
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591197	0	48	0.0	-74.78	383.06	2.67	-72.11
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591197	1	48	0.0	-74.72	383.06	2.67	-72.05
CC(C)(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCCCC1	REAL300024591218	0	55	0.0	-67.43	403.97	3.74	-63.69
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300024591226	0	50	0.0	-76.98	380.31	2.92	-74.06
C[NH+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024591289	0	49	0.0	-75.90	386.76	2.97	-72.93
CC(C)[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024591307	0	51	0.0	-71.25	385.86	2.91	-68.34
CC[NH+](CC)CC(F)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591390	0	51	0.0	-77.12	402.58	3.24	-73.88
CC(C)C[N@@H+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024591418	0	55	0.0	-72.79	424.28	4.23	-68.56
CC(C)C[N@H+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024591418	1	55	0.0	-72.17	423.77	4.25	-67.92
C[NH+](C)C1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024591421	0	49	0.0	-72.75	366.83	2.25	-70.50
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](CC)CC	REAL300024591451	0	54	0.0	-69.30	404.01	3.83	-65.47
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591468	0	49	0.0	-70.40	388.38	3.19	-67.21
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591468	1	49	0.0	-70.35	388.12	3.17	-67.18
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCCCCC1	REAL300024591516	0	55	0.0	-68.18	407.11	3.75	-64.43
CC(C)[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591518	0	55	0.0	-65.60	413.78	3.87	-61.73
CC(C)[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591518	1	55	0.0	-65.78	414.58	3.89	-61.89
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591538	0	52	0.0	-67.53	397.05	3.26	-64.27
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591538	1	52	0.0	-67.14	401.17	3.30	-63.84
CC(C)[N@@H+]1CCCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591544	0	55	0.0	-66.00	412.04	3.98	-62.02
CC(C)[N@H+]1CCCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591544	1	55	0.0	-71.21	420.39	4.09	-67.12
CC(C)[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024591555	0	51	0.0	-69.66	384.33	2.80	-66.86
CC1CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024591573	0	49	0.0	-72.30	388.31	3.08	-69.22
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024591573	1	49	0.0	-72.58	388.34	3.15	-69.43
CC1(C)CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024591577	0	52	0.0	-72.65	408.18	3.64	-69.01
CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024591577	1	52	0.0	-72.58	408.54	3.66	-68.92
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024591578	0	54	0.0	-73.23	410.80	3.80	-69.43
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024591578	1	54	0.0	-72.93	412.75	3.95	-68.98
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024591586	0	48	0.0	-70.98	372.45	2.35	-68.63
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591756	1	44	0.0	-69.58	372.36	3.00	-66.58
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591757	0	53	0.0	-79.14	412.66	1.99	-77.15
O=C(CCC[NH+]1CCCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591772	0	55	0.0	-73.66	428.46	4.69	-68.97
C[NH+](C)CC1=CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=NO1	REAL300024591784	1	48	0.0	-78.24	398.10	2.67	-75.57
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591813	1	50	0.0	-67.97	408.71	4.14	-63.83
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300024591841	0	53	0.0	-68.09	394.88	3.45	-64.64
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300024591841	1	53	0.0	-65.85	407.66	4.08	-61.77
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024591855	1	50	0.0	-79.13	394.51	2.32	-76.81
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024591855	1	50	0.0	-79.63	393.59	2.30	-77.33
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300024591895	0	44	0.0	-72.11	372.94	4.58	-67.53
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591900	1	44	0.0	-71.89	372.69	3.73	-68.16
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024591909	0	49	0.0	-73.71	379.07	2.64	-71.07
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024591909	1	49	0.0	-74.56	385.27	2.79	-71.77
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024591913	0	52	0.0	-73.54	396.62	2.95	-70.59
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024591913	1	52	0.0	-73.15	401.29	3.26	-69.89
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591924	0	52	0.0	-69.17	400.09	3.40	-65.77
O=C(CCC[NH+]1CCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591930	0	52	0.0	-73.46	412.80	3.98	-69.48
C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024591935	0	51	0.0	-77.92	411.93	4.15	-73.77
O=C(CC[NH+]1CCCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591936	0	52	0.0	-74.28	406.98	3.88	-70.40
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591941	0	52	0.0	-67.18	401.34	3.63	-63.55
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024591941	1	52	0.0	-68.24	390.36	3.04	-65.20
C[NH+](C)C1(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300024591974	0	55	0.0	-75.40	406.87	3.88	-71.52
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024592095	0	49	0.0	-70.97	389.09	3.38	-67.59
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024592095	1	49	0.0	-71.25	389.20	3.39	-67.86
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1C(C)CCC1C	REAL300024592112	0	55	0.0	-67.24	399.49	3.12	-64.12
O=C(CCCC[NH+]1CCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592124	0	55	0.0	-73.53	433.56	4.71	-68.82
C[NH+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024592135	0	49	0.0	-75.90	386.76	2.97	-72.93
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592170	0	46	0.0	-71.44	361.37	1.96	-69.48
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592170	1	46	0.0	-69.49	364.44	2.19	-67.30
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592191	1	48	0.0	-69.57	388.05	3.13	-66.44
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592191	1	48	0.0	-70.18	394.45	3.54	-66.64
C[N@@H+]1CCCC1CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592196	0	52	0.0	-75.22	406.58	3.81	-71.41
C[N@H+]1CCCC1CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592196	1	52	0.0	-75.64	406.71	3.78	-71.86
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300024592203	0	53	0.0	-72.40	391.48	3.10	-69.30
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300024592206	0	53	0.0	-68.09	402.63	3.88	-64.21
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300024592206	1	53	0.0	-68.40	403.08	3.87	-64.53
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024592268	0	55	0.0	-71.29	417.13	4.21	-67.08
CCC[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024592268	1	55	0.0	-72.57	426.45	4.36	-68.21
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024592282	1	53	0.0	-71.03	403.46	2.62	-68.41
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024592282	1	53	0.0	-77.21	411.23	2.84	-74.37
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592303	0	49	0.0	-70.44	372.45	2.51	-67.93
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592303	1	49	0.0	-69.72	372.61	2.40	-67.32
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592323	0	55	0.0	-68.64	420.96	4.23	-64.41
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592323	1	55	0.0	-68.91	420.48	4.05	-64.86
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300024592336	0	53	0.0	-74.81	416.70	0.58	-74.23
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024592377	0	49	0.0	-71.84	383.44	2.69	-69.15
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024592377	1	49	0.0	-76.63	378.17	2.42	-74.21
C[N@@H+]1CCCCC1CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592379	0	55	0.0	-71.94	424.02	4.35	-67.59
C[N@H+]1CCCCC1CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592379	1	55	0.0	-71.56	424.26	4.36	-67.20
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592457	0	52	0.0	-69.19	403.50	3.04	-66.15
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592457	1	52	0.0	-69.40	383.90	2.32	-67.08
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024592475	0	45	0.0	-70.66	359.90	1.81	-68.85
C=CCC(C)(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024592489	0	52	0.0	-66.15	389.43	2.93	-63.22
O=C(CC[NH+]1CCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592509	0	49	0.0	-74.22	391.30	3.17	-71.05
C[N@H+](CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592519	1	46	0.0	-73.73	371.05	-1.17	-74.90
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592519	1	46	0.0	-73.52	370.83	-1.17	-74.69
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)CC1	REAL300024592552	0	52	0.0	-79.55	386.08	0.80	-78.75
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2C[N@H+]3CCN2CCC3)CC1	REAL300024592552	1	52	0.0	-79.04	384.90	0.35	-78.69
C[N@H+]1CC=C(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024592598	0	50	0.0	-71.64	402.12	3.77	-67.87
C[N@@H+]1CC=C(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024592598	1	50	0.0	-70.17	402.10	3.77	-66.40
C[S+](C)CCC(O)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592612	0	48	0.0	-76.41	403.36	0.85	-75.56
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592630	0	50	0.0	-68.64	385.06	-1.11	-69.75
C[N@H+]1CC(O)CC1(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592630	1	50	0.0	-68.18	379.29	-1.54	-69.72
CN1CC[N@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024592640	0	54	0.0	-69.94	409.40	1.39	-68.55
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024592640	1	54	0.0	-78.76	411.35	0.70	-78.06
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[N@@H+]1CCCC(O)C1	REAL300024592641	0	53	0.0	-70.69	409.91	0.45	-70.24
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[N@H+]1CCCC(O)C1	REAL300024592641	1	53	0.0	-70.29	410.95	0.51	-69.78
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024592669	0	53	0.0	-69.28	403.48	1.58	-67.70
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024592669	1	53	0.0	-72.35	400.70	1.69	-70.66
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024592673	1	46	0.0	-73.25	374.26	2.54	-70.71
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024592679	0	52	0.0	-72.17	404.45	3.58	-68.59
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024592679	1	52	0.0	-66.07	395.71	3.66	-62.41
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300024592695	0	50	0.0	-67.43	396.64	3.69	-63.74
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300024592695	1	50	0.0	-69.80	390.34	3.18	-66.62
O=C(C=CC[NH+]1CCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592730	0	50	0.0	-75.19	402.45	3.69	-71.50
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300024592748	0	53	0.0	-73.06	411.67	4.16	-68.90
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592786	0	45	0.0	-73.01	360.69	2.07	-70.94
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)CN2CC3C=CC2C3)CC1	REAL300024592831	0	48	0.0	-69.54	381.74	3.26	-66.28
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300024592831	1	48	0.0	-71.21	382.35	3.38	-67.83
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300024592831	1	48	0.0	-71.21	382.35	3.38	-67.83
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CCC[N@@H+]2CCCC3)CC1	REAL300024592937	0	53	0.0	-65.59	390.50	3.00	-62.59
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CCC[N@H+]2CCCC3)CC1	REAL300024592937	1	53	0.0	-65.59	390.50	3.00	-62.59
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)CC1	REAL300024592943	0	51	0.0	-65.52	383.63	2.89	-62.63
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CCC[N@H+]2CC=CC3)CC1	REAL300024592943	1	51	0.0	-65.52	383.63	2.89	-62.63
CC(OCC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592952	0	52	0.0	-72.29	415.05	2.97	-69.32
C[NH+](C)CCOCCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592960	0	52	0.0	-71.91	419.78	2.25	-69.66
COCCN(C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592962	0	49	0.0	-73.34	393.08	1.23	-72.11
COCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592962	1	49	0.0	-73.95	393.30	1.24	-72.71
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592962	1	49	0.0	-73.95	393.30	1.24	-72.71
CC(CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024592967	0	51	0.0	-72.56	400.25	3.18	-69.38
CC[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024592989	0	49	0.0	-70.21	389.36	3.42	-66.79
CC1C[N@@H+]2CCN1C(C(=O)N1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024593004	0	52	0.0	-77.88	392.52	0.07	-77.81
C[N@@H+]1CC2CC1(C(=O)N1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024593026	0	47	0.0	-71.07	369.87	2.50	-68.57
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300024593039	0	50	0.0	-70.09	386.98	3.30	-66.79
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300024593039	1	50	0.0	-70.09	386.98	3.30	-66.79
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593058	0	48	0.0	-73.81	380.51	2.52	-71.29
CCN1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593102	0	46	0.0	-70.75	363.22	1.91	-68.84
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593102	1	46	0.0	-71.77	373.99	2.36	-69.41
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593102	1	46	0.0	-71.77	373.99	2.36	-69.41
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024593112	0	55	0.0	-70.69	421.64	4.12	-66.57
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024593112	1	55	0.0	-70.69	421.64	4.12	-66.57
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593124	0	54	0.0	-70.38	405.87	1.79	-68.59
C#CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593163	1	51	0.0	-70.61	400.64	3.88	-66.73
C#CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593163	1	51	0.0	-69.81	397.69	3.70	-66.11
NC1=CC=[NH+]C=C1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593165	0	42	0.0	-71.36	355.08	-0.64	-72.00
CCCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024593174	0	51	0.0	-71.08	393.88	3.20	-67.88
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593181	0	48	0.0	-70.64	362.62	1.81	-68.83
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593199	0	51	0.0	-78.23	401.37	3.14	-75.09
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300024593256	0	51	0.0	-68.61	396.11	4.58	-64.03
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300024593256	1	51	0.0	-68.38	396.01	4.72	-63.66
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593285	0	52	0.0	-69.10	397.99	2.94	-66.16
C[N@H+]1CC(C)(C)CC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593285	1	52	0.0	-68.86	408.01	3.44	-65.42
C[NH+](C)CCCCCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593288	0	54	0.0	-73.53	429.83	4.37	-69.16
O=C(CC[NH+]1CCC(O)CC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593292	0	53	0.0	-78.03	418.05	0.53	-77.50
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593296	0	55	0.0	-69.33	411.64	3.90	-65.43
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593296	1	55	0.0	-68.16	421.69	4.32	-63.84
C[NH+]1CCN(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024593305	1	51	0.0	-72.55	401.95	0.87	-71.68
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024593387	1	50	0.0	-80.51	390.26	2.36	-78.15
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024593387	1	50	0.0	-82.44	389.71	1.95	-80.49
CCC1CCC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024593416	0	55	0.0	-73.42	416.94	4.48	-68.94
CCC1CCC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024593416	1	55	0.0	-73.34	423.95	4.52	-68.82
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N1	REAL300024593424	0	50	0.0	-78.66	407.98	3.00	-75.66
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300024593437	0	47	0.0	-73.27	377.51	3.23	-70.04
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)CC2([NH+]3CCCC3)CC2)CC1	REAL300024593448	0	53	0.0	-69.70	408.08	4.21	-65.49
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593481	0	49	0.0	-70.44	372.45	2.51	-67.93
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593481	1	49	0.0	-69.72	372.61	2.40	-67.32
C[N@@H+]1CCC(=CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024593580	0	47	0.0	-75.69	380.76	2.95	-72.74
C[N@H+]1CCC(=CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024593580	1	47	0.0	-75.81	380.73	2.94	-72.87
O=C(CNC1=CC=[NH+]C=C1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593585	0	45	0.0	-71.85	378.68	0.67	-71.18
[N-]=[N+]=NCC(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024593629	0	36	0.0	-24.32	319.93	-3.00	-27.32
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024593636	0	54	0.0	-71.47	419.19	1.51	-69.96
O=C(C=C1C[NH+]2CCC1CC2)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593639	0	51	0.0	-68.91	398.38	3.82	-65.09
C[NH+](C)C1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300024593672	0	52	0.0	-73.01	382.69	3.05	-69.96
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300024593680	0	53	0.0	-68.84	413.05	0.69	-68.15
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300024593680	1	53	0.0	-71.38	414.17	0.68	-70.70
CCC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024593683	0	49	0.0	-73.97	395.62	3.25	-70.72
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1	REAL300024593686	0	53	0.0	-69.47	396.94	3.60	-65.87
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593698	0	46	0.0	-69.74	368.33	2.33	-67.41
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593698	1	46	0.0	-71.07	361.48	1.94	-69.13
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593720	0	53	0.0	-76.32	410.74	1.94	-74.38
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024593824	0	49	0.0	-72.98	392.13	3.12	-69.86
C[NH+](C)C1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024593835	0	55	0.0	-75.66	421.19	4.12	-71.54
C[NH+](C)CCC1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024593836	0	52	0.0	-74.02	415.92	3.81	-70.21
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024593837	0	55	0.0	-67.78	411.80	3.85	-63.93
C[N@@H+]1CC=CCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593838	0	50	0.0	-66.76	389.12	3.43	-63.33
C[N@H+]1CC=CCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593838	1	50	0.0	-66.76	389.12	3.43	-63.33
C[NH+](C)CCOCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593890	0	49	0.0	-72.50	398.84	2.52	-69.98
CCCCC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593895	0	57	0.0	-76.46	447.55	4.97	-71.49
CCCCC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593895	1	57	0.0	-76.46	447.55	4.97	-71.49
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024593906	0	53	0.0	-73.43	417.07	3.50	-69.93
[NH2+]=C1SC=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593929	0	42	0.0	-68.69	370.02	1.58	-67.11
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024593994	0	52	0.0	-70.44	414.15	2.95	-67.49
O=C(CC[NH+]1CCCCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594025	0	55	0.0	-75.17	417.44	4.44	-70.73
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300024594028	0	49	0.0	-72.74	384.70	3.27	-69.47
C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024594030	0	49	0.0	-78.29	387.26	2.98	-75.31
C[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024594030	1	49	0.0	-66.48	377.86	3.06	-63.42
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300024594031	0	53	0.0	-74.81	416.70	0.58	-74.23
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300024594032	0	52	0.0	-72.44	394.12	3.44	-69.00
CN1C=C[N+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024594037	0	44	0.0	-70.53	374.19	4.91	-65.62
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024594052	1	49	0.0	-77.52	404.33	3.13	-74.39
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1	REAL300024594067	1	50	0.0	-77.76	396.08	-0.08	-77.84
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024594071	1	46	0.0	-70.77	372.39	2.81	-67.96
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)N1CC[NH+](C)CC1	REAL300024594073	1	54	0.0	-72.35	415.64	1.20	-71.15
O=C(CC[N@@H+]1CCC(F)C1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594075	1	49	0.0	-79.49	397.28	3.23	-76.26
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024594084	1	53	0.0	-69.19	405.73	1.53	-67.66
CCOCC(N=[N+]=[N-])C(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024594092	0	46	0.0	-23.26	393.24	-2.44	-25.70
CC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024594100	0	51	0.0	-77.05	399.96	3.44	-73.61
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1	REAL300024594112	0	51	0.0	-76.75	399.18	1.59	-75.16
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC[N@H+]3CCOCC23)CC1	REAL300024594112	1	51	0.0	-70.08	394.16	1.71	-68.37
CN1CCOCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594129	0	50	0.0	-79.01	393.51	1.25	-77.76
C[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594129	1	50	0.0	-78.85	393.50	1.25	-77.60
C[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594129	1	50	0.0	-79.01	393.51	1.25	-77.76
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024594137	0	54	0.0	-71.47	419.19	1.51	-69.96
CC1(O)CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024594226	0	50	0.0	-73.71	399.52	-0.18	-73.89
CC1(O)CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024594226	1	50	0.0	-73.53	399.52	-0.18	-73.71
C[NH+]1CC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024594258	0	46	0.0	-73.92	374.25	2.27	-71.65
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)CC1	REAL300024594262	0	53	0.0	-72.21	414.90	4.33	-67.88
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC[N@H+]2C2CCCC2)CC1	REAL300024594262	1	53	0.0	-72.60	412.65	4.11	-68.49
C[NH+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594270	0	42	0.0	-73.77	342.96	1.40	-72.37
C[N@H+](CCO)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594296	0	49	0.0	-74.47	393.41	-0.56	-75.03
C[N@@H+](CCO)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594296	1	49	0.0	-74.00	393.37	-0.57	-74.57
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024594297	0	45	0.0	-70.66	359.90	1.81	-68.85
C[N@@H+]1CCCCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594314	0	52	0.0	-66.17	394.71	3.51	-62.66
C[N@H+]1CCCCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594314	1	52	0.0	-66.89	394.71	3.51	-63.38
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024594331	0	49	0.0	-70.01	390.86	2.83	-67.18
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594335	1	46	0.0	-71.63	374.23	2.46	-69.17
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594335	1	46	0.0	-70.76	369.28	2.29	-68.47
C[NH+](C)CC=CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594346	0	46	0.0	-76.65	379.11	2.65	-74.00
CC1(C)C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024594357	1	49	0.0	-73.32	393.55	3.01	-70.31
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N1	REAL300024594372	1	50	0.0	-68.02	413.20	2.73	-65.29
C[NH+](C)CCSCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594389	0	49	0.0	-77.10	409.86	3.42	-73.68
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[N@H+]2CCCC2CO)CC1	REAL300024594412	0	50	0.0	-72.18	392.61	-0.55	-72.73
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[N@@H+]2CCCC2CO)CC1	REAL300024594412	1	50	0.0	-72.18	392.60	-0.52	-72.70
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594416	0	48	0.0	-71.33	374.56	2.47	-68.86
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024594427	1	43	0.0	-73.49	353.28	1.86	-71.63
CC[NH+](CC)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594467	0	51	0.0	-73.69	400.92	3.36	-70.33
C[NH+](C)CC1=CNC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024594524	0	50	0.0	-73.82	408.90	2.78	-71.04
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC(O)CC1	REAL300024594541	0	53	0.0	-73.49	412.85	0.30	-73.19
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1	REAL300024594545	0	51	0.0	-74.87	397.67	1.54	-73.33
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC3COCC[N@H+]3C2)CC1	REAL300024594545	1	51	0.0	-74.83	396.39	1.50	-73.33
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024594556	0	46	0.0	-70.12	369.93	2.22	-67.90
CCC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024594561	0	54	0.0	-78.23	418.62	4.07	-74.16
C[NH+](C)CC(C)(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594569	0	51	0.0	-72.41	380.19	2.74	-69.67
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594621	0	49	0.0	-70.43	372.43	2.51	-67.92
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594621	1	49	0.0	-68.95	382.22	2.92	-66.03
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594635	0	52	0.0	-74.14	392.38	-0.02	-74.16
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594635	1	52	0.0	-75.16	391.56	-0.03	-75.19
C[NH+](C)CC(O)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594655	0	49	0.0	-77.70	395.44	0.47	-77.23
C[NH+]1C2CCC1CC(C(=O)N1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024594657	0	53	0.0	-71.94	402.72	3.51	-68.43
C=CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024594687	0	49	0.0	-71.29	386.67	2.94	-68.35
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300024594694	0	53	0.0	-73.59	406.09	3.92	-69.67
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300024594694	1	53	0.0	-74.78	406.73	3.91	-70.87
C[NH+]1CCC(C)(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024594705	0	52	0.0	-71.95	390.29	2.85	-69.10
C[NH+]1CCC(O)(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024594707	0	53	0.0	-70.82	410.59	1.83	-68.99
NC(=[NH2+])SCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594731	0	40	0.0	-74.64	350.89	-1.56	-76.20
CC[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594758	0	53	0.0	-76.32	410.74	1.94	-74.38
C[NH+](C)C1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024594771	0	55	0.0	-75.66	421.19	4.12	-71.54
C[NH+](C)CCC1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024594772	0	52	0.0	-74.02	415.92	3.81	-70.21
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024594773	0	55	0.0	-67.78	411.80	3.85	-63.93
C[N@@H+]1CC=CCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594774	0	50	0.0	-66.76	389.12	3.43	-63.33
C[N@H+]1CC=CCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594774	1	50	0.0	-66.76	389.12	3.43	-63.33
C[C@@H](OCC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594795	0	52	0.0	-70.44	414.15	2.95	-67.49
C[NH+]1C2CCC1CC(C(=O)N1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024594819	0	53	0.0	-71.94	402.72	3.51	-68.43
CCC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024594911	0	49	0.0	-73.97	395.62	3.25	-70.72
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2([NH+]3CCCC3)CCC2)CC1	REAL300024594913	0	53	0.0	-69.47	396.94	3.60	-65.87
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594920	0	46	0.0	-69.74	368.33	2.33	-67.41
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594920	1	46	0.0	-71.07	361.48	1.94	-69.13
O=C(CC[N@@H+]1CCC(F)C1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594927	1	49	0.0	-79.49	397.28	3.23	-76.26
COC1C[N@@H+](C)C(C)(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024594935	1	53	0.0	-69.19	405.73	1.53	-67.66
O=C(CC[NH+]1CCCCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594942	0	55	0.0	-75.17	417.44	4.44	-70.73
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300024594944	0	49	0.0	-72.74	384.70	3.27	-69.47
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024594953	0	49	0.0	-71.84	383.44	2.69	-69.15
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024594953	1	49	0.0	-76.63	378.17	2.42	-74.21
C[N@@H+]1CCCCC1CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594955	0	55	0.0	-71.94	424.02	4.35	-67.59
C[N@H+]1CCCCC1CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594955	1	55	0.0	-71.56	424.26	4.36	-67.20
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC[N@@H+]3CCOCC23)CC1	REAL300024594977	0	51	0.0	-76.75	399.18	1.59	-75.16
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC[N@H+]3CCOCC23)CC1	REAL300024594977	1	51	0.0	-70.08	394.16	1.71	-68.37
CN1CCOCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594994	0	50	0.0	-79.01	393.51	1.25	-77.76
C[N@@H+]1CCOCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594994	1	50	0.0	-78.85	393.50	1.25	-77.60
C[N@H+]1CCOCC1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024594994	1	50	0.0	-79.01	393.51	1.25	-77.76
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N1	REAL300024595001	1	50	0.0	-68.02	413.20	2.73	-65.29
CCOCC(N=[N+]=[N-])C(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024595005	0	46	0.0	-23.26	393.24	-2.44	-25.70
C[NH+](C)CCSCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024595075	0	49	0.0	-77.10	409.86	3.42	-73.68
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2CC3COCC[N@@H+]3C2)CC1	REAL300024595081	0	51	0.0	-74.87	397.67	1.54	-73.33
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C[N@@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595183	0	55	0.0	-62.85	425.34	2.60	-60.25
C[N@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595183	1	55	0.0	-64.97	426.13	2.73	-62.24
CCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+](C)C	REAL300024595283	0	57	0.0	-64.18	428.61	2.73	-61.45
CCC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595288	0	57	0.0	-66.70	438.86	3.05	-63.65
CCC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595288	1	57	0.0	-68.58	438.93	3.09	-65.49
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595296	0	55	0.0	-70.92	419.50	2.18	-68.74
C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595296	1	55	0.0	-64.92	424.87	2.73	-62.19
CC[NH+](CC)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595301	0	57	0.0	-66.21	435.06	2.92	-63.29
CC[N@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595357	0	57	0.0	-70.86	439.81	2.89	-67.97
CC[N@@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595357	1	57	0.0	-70.73	439.80	2.89	-67.84
CC[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+](C)C	REAL300024595360	0	57	0.0	-65.41	429.58	2.63	-62.78
C[NH+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595378	0	51	0.0	-67.01	399.64	1.64	-65.37
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+]1CCC1	REAL300024595382	1	55	0.0	-66.73	429.66	2.66	-64.07
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)C1CC1	REAL300024595388	0	55	0.0	-65.34	428.98	3.08	-62.26
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)C1CC1	REAL300024595388	1	55	0.0	-65.92	428.98	3.08	-62.84
C[NH+]1CC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCCC2)C1	REAL300024595394	0	55	0.0	-66.73	431.08	2.47	-64.26
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+](C)C	REAL300024595401	0	54	0.0	-64.87	417.82	2.03	-62.84
[N-]=[N+]=NCC(=O)NCC1(NC(=O)CSC2=NC(=O)NN2)CCCCC1	REAL300024595404	0	45	0.0	-24.63	376.67	-2.73	-27.36
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+](C)C	REAL300024595422	0	54	0.0	-64.87	417.82	2.03	-62.84
C[C@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+](C)C	REAL300024595451	0	54	0.0	-67.80	417.95	2.05	-65.75
CC1C[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCCC2)C1	REAL300024595457	1	55	0.0	-66.71	429.72	2.80	-63.91
CC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595474	0	54	0.0	-66.39	417.37	2.31	-64.08
CC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595474	1	54	0.0	-66.22	417.37	2.31	-63.91
C[NH+](C)CC=CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595490	0	55	0.0	-70.79	436.86	2.89	-67.90
CC[N@@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595496	1	55	0.0	-66.19	424.54	2.36	-63.83
CC[N@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595496	1	55	0.0	-63.67	423.86	2.30	-61.37
C[NH+](C)C(C)(C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595509	0	57	0.0	-73.88	427.11	2.80	-71.08
C[NH+](C)C1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCCC2)CC1	REAL300024595531	0	55	0.0	-70.75	422.59	3.27	-67.48
CC(C[NH+](C)C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595553	0	57	0.0	-65.35	437.04	2.97	-62.38
CC1CC[N@@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595562	1	55	0.0	-66.10	425.58	2.48	-63.62
CC1CC[N@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595562	1	55	0.0	-68.19	431.02	2.75	-65.44
C[N@@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595671	0	55	0.0	-65.86	424.44	2.60	-63.26
C[N@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595671	1	55	0.0	-71.31	417.26	2.08	-69.23
CCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+](C)C	REAL300024595742	0	57	0.0	-65.92	428.98	2.82	-63.10
CCC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595745	0	57	0.0	-67.94	438.87	3.05	-64.89
CCC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595745	1	57	0.0	-68.21	438.88	3.05	-65.16
CC[N@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595761	0	57	0.0	-69.18	439.74	2.84	-66.34
CC[N@@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595761	1	57	0.0	-71.30	439.80	2.88	-68.42
CC[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+](C)C	REAL300024595786	0	57	0.0	-64.73	429.47	2.76	-61.97
C[N@@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595823	0	55	0.0	-70.54	418.39	2.15	-68.39
C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595823	1	55	0.0	-64.09	425.72	2.67	-61.42
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+](C)C	REAL300024595867	0	54	0.0	-67.15	417.35	2.13	-65.02
CC1C[NH+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCCC2)C1	REAL300024595891	1	55	0.0	-69.47	429.86	2.84	-66.63
CC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595907	0	54	0.0	-67.59	417.38	2.32	-65.27
CC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595907	1	54	0.0	-67.75	417.38	2.32	-65.43
CC(C[NH+](C)C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595932	0	57	0.0	-71.09	437.53	2.88	-68.21
C[C@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+](C)C	REAL300024595936	0	54	0.0	-69.50	417.91	2.11	-67.39
CC[N@@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595939	1	55	0.0	-69.52	431.37	2.64	-66.88
CC[N@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595939	1	55	0.0	-69.09	431.34	2.70	-66.39
[N-]=[N+]=NCC(=O)NC1(CNC(=O)CSC2=NC(=O)NN2)CCCCC1	REAL300024595986	0	45	0.0	-24.29	376.60	-2.75	-27.04
C[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595995	0	55	0.0	-65.94	424.43	2.60	-63.34
C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024595995	1	55	0.0	-65.99	419.29	2.14	-63.85
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)C1CC1	REAL300024596025	0	55	0.0	-67.42	428.97	3.08	-64.34
C[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)C1CC1	REAL300024596025	1	55	0.0	-66.05	429.05	3.05	-63.00
C[NH+]1CC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCCC2)C1	REAL300024596049	0	55	0.0	-69.41	431.08	2.46	-66.95
C[NH+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024596052	0	51	0.0	-68.22	399.64	1.64	-66.58
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+](C)C	REAL300024596055	0	54	0.0	-67.15	417.35	2.13	-65.02
CC1CC[N@@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024596060	1	55	0.0	-67.14	425.31	2.46	-64.68
CC1CC[N@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024596060	1	55	0.0	-68.38	431.04	2.75	-65.63
C[NH+](C)CC=CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024596061	0	55	0.0	-72.17	435.59	2.87	-69.30
CC[NH+](CC)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024596067	0	57	0.0	-68.00	431.12	2.76	-65.24
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1)[NH+]1CCC1	REAL300024596085	1	55	0.0	-67.71	427.28	2.71	-65.00
C[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024596144	0	55	0.0	-66.50	425.51	2.71	-63.79
C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024596144	1	55	0.0	-69.40	419.91	2.26	-67.14
C[NH+](C)CC(=O)N1CCCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024596200	0	55	0.0	-72.31	423.51	4.80	-67.51
[N-]=[N+]=NCC(=O)N1CCCC(C2CCCN2C(=O)CSC2=NC(=O)NN2)C1	REAL300024596205	0	49	0.0	-25.10	400.67	0.30	-24.80
[N-]=[N+]=NCC(=O)N1CCCC1C1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024596265	0	49	0.0	-25.82	399.91	0.43	-25.39
C[NH+](C)CC(=O)N1CCCC1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024596271	0	55	0.0	-64.41	423.42	4.74	-59.67
C[N@@H+]1CCCC1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596384	0	53	0.0	-71.84	425.90	1.54	-70.30
C[N@H+]1CCCC1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596384	1	53	0.0	-72.05	424.46	1.61	-70.44
CCC(C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024596487	0	55	0.0	-72.00	437.11	2.21	-69.79
CCC[N@H+](C)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596492	0	55	0.0	-74.09	445.20	2.39	-71.70
CCC[N@@H+](C)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596492	1	55	0.0	-73.13	443.73	2.47	-70.66
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596500	0	53	0.0	-71.95	425.96	1.53	-70.42
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596500	1	53	0.0	-68.45	429.93	2.12	-66.33
CC[NH+](CC)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596505	0	55	0.0	-72.20	442.07	2.35	-69.85
CC[N@H+](C)CCC(=O)NC1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024596563	0	55	0.0	-73.15	443.71	2.29	-70.86
CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024596563	1	55	0.0	-70.39	443.71	2.27	-68.12
CC[C@@H](C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024596566	0	55	0.0	-66.36	433.86	2.08	-64.28
C[NH+](C)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596584	0	49	0.0	-74.30	405.98	0.98	-73.32
CC(C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300024596588	1	53	0.0	-69.33	431.81	2.15	-67.18
C[N@H+](CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300024596595	0	53	0.0	-68.71	432.90	2.47	-66.24
C[N@@H+](CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300024596595	1	53	0.0	-69.55	433.02	2.47	-67.08
C[NH+]1CC(CC(=O)NC2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024596601	0	53	0.0	-75.46	437.40	1.81	-73.65
C[C@@H](C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024596608	0	52	0.0	-70.68	421.72	1.46	-69.22
[N-]=[N+]=NCC(=O)NC1CC2(C1)CC(NC(=O)CSC1=NC(=O)NN1)C2	REAL300024596611	0	43	0.0	-25.24	382.94	-3.41	-28.65
C[C@@H](C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024596630	0	52	0.0	-70.68	421.72	1.46	-69.22
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CC(NC(=O)C[NH+]1CCC1)C2	REAL300024596648	1	50	0.0	-69.20	413.71	1.49	-67.71
C[C@H](C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024596659	0	52	0.0	-69.72	421.75	1.49	-68.23
CC1C[NH+](CC(=O)NC2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024596666	1	53	0.0	-69.25	433.70	2.22	-67.03
C[N@H+](CCO)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596677	1	53	0.0	-74.84	434.06	-1.59	-76.43
C[N@@H+](CCO)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596677	1	53	0.0	-73.84	432.36	-1.52	-75.36
CC[N@H+](C)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596684	0	52	0.0	-71.29	421.35	1.73	-69.56
CC[N@@H+](C)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596684	1	52	0.0	-73.77	423.71	1.66	-72.11
C[NH+](C)CC=CC(=O)NC1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024596702	0	53	0.0	-76.17	439.58	2.29	-73.88
CC[N@@H+]1CCC1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596708	1	53	0.0	-71.36	429.26	1.54	-69.82
CC[N@H+]1CCC1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596708	1	53	0.0	-70.92	435.19	2.05	-68.87
C[NH+](C)C(C)(C)C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596722	0	55	0.0	-78.31	433.42	2.14	-76.17
C[NH+](C)C1(C(=O)NC2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300024596745	0	53	0.0	-75.10	427.20	2.17	-72.93
CC(C[NH+](C)C)C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596767	0	55	0.0	-68.37	442.70	2.43	-65.94
CC1CC[N@@H+]1CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596778	1	53	0.0	-71.23	431.71	1.80	-69.43
CC1CC[N@H+]1CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596778	1	53	0.0	-71.93	431.73	1.80	-70.13
C[N@@H+]1CCCC1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596893	0	53	0.0	-71.84	425.90	1.54	-70.30
C[N@H+]1CCCC1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596893	1	53	0.0	-72.05	424.46	1.61	-70.44
CCC(C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024596967	0	55	0.0	-72.00	437.11	2.21	-69.79
CCC[N@H+](C)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596971	0	55	0.0	-74.09	445.20	2.39	-71.70
CCC[N@@H+](C)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024596971	1	55	0.0	-73.13	443.73	2.47	-70.66
CC[N@H+](C)CCC(=O)NC1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024596988	0	55	0.0	-73.15	443.71	2.29	-70.86
CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024596988	1	55	0.0	-70.39	443.71	2.27	-68.12
CC[C@@H](C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024597029	0	55	0.0	-66.36	433.86	2.08	-64.28
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597075	0	53	0.0	-71.95	425.96	1.53	-70.42
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597075	1	53	0.0	-68.45	429.93	2.12	-66.33
C[C@@H](C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024597130	0	52	0.0	-70.68	421.72	1.46	-69.22
C[N@H+](CCO)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597140	1	53	0.0	-74.84	434.06	-1.59	-76.43
C[N@@H+](CCO)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597140	1	53	0.0	-73.84	432.36	-1.52	-75.36
CC1C[NH+](CC(=O)NC2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024597156	1	53	0.0	-69.25	433.70	2.22	-67.03
CC[N@H+](C)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597174	0	52	0.0	-71.29	421.35	1.73	-69.56
CC[N@@H+](C)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597174	1	52	0.0	-73.77	423.71	1.66	-72.11
CC(C[NH+](C)C)C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597207	0	55	0.0	-68.37	442.70	2.43	-65.94
C[NH+](C)C1(C(=O)NC2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300024597210	0	53	0.0	-75.10	427.20	2.17	-72.93
C[C@H](C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024597214	0	52	0.0	-69.72	421.75	1.49	-68.23
CC[N@@H+]1CCC1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597217	1	53	0.0	-71.36	429.26	1.54	-69.82
CC[N@H+]1CCC1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597217	1	53	0.0	-70.92	435.19	2.05	-68.87
C[NH+](C)C(C)(C)C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597226	0	55	0.0	-78.31	433.42	2.14	-76.17
[N-]=[N+]=NCC(=O)NC1CC2(C1)CC(NC(=O)CSC1=NC(=O)NN1)C2	REAL300024597275	0	43	0.0	-25.24	382.94	-3.41	-28.65
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597288	0	53	0.0	-70.39	431.64	1.94	-68.45
C[N@H+]1CCC[C@H]1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597288	1	53	0.0	-69.34	424.44	1.60	-67.74
C[N@H+](CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300024597325	0	53	0.0	-68.71	432.90	2.47	-66.24
C[N@@H+](CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300024597325	1	53	0.0	-69.55	433.02	2.47	-67.08
C[NH+]1CC(CC(=O)NC2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300024597353	0	53	0.0	-75.46	437.40	1.81	-73.65
C[NH+](C)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597356	0	49	0.0	-74.30	405.98	0.98	-73.32
C[C@@H](C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300024597359	0	52	0.0	-70.68	421.72	1.46	-69.22
CC1CC[N@@H+]1CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597368	1	53	0.0	-71.23	431.71	1.80	-69.43
CC1CC[N@H+]1CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597368	1	53	0.0	-71.93	431.73	1.80	-70.13
C[NH+](C)CC=CC(=O)NC1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024597369	0	53	0.0	-76.17	439.58	2.29	-73.88
CC[NH+](CC)CC(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597375	0	55	0.0	-72.20	442.07	2.35	-69.85
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CC(NC(=O)C[NH+]1CCC1)C2	REAL300024597376	1	50	0.0	-69.20	413.71	1.49	-67.71
CC(C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300024597399	1	53	0.0	-69.33	431.81	2.15	-67.18
NC(=[NH2+])SCC(=O)NC1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024597439	0	47	0.0	-70.38	412.15	-2.07	-72.45
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597471	0	53	0.0	-70.39	431.64	1.94	-68.45
C[N@H+]1CCC[C@H]1C(=O)NC1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024597471	1	53	0.0	-69.34	424.44	1.60	-67.74
C[N@@H+]1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024597643	0	42	0.0	-68.27	357.10	-1.21	-69.48
C[N@H+]1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024597643	1	42	0.0	-70.23	350.75	-1.73	-71.96
C[N@@H+]1CCOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024597667	1	43	0.0	-73.82	360.98	-1.99	-75.81
C[N@H+]1CCOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024597667	1	43	0.0	-73.86	361.00	-1.98	-75.84
CC(C)C1=[NH+]C=CN1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024597869	1	49	0.0	-66.33	416.13	0.86	-65.47
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300024597877	0	51	0.0	-68.08	401.81	0.49	-67.59
CC(C)[N@@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024597880	0	51	0.0	-65.19	403.81	0.21	-64.98
CC(C)[N@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024597880	1	51	0.0	-65.83	397.68	0.28	-65.55
CC(C)[N@@H+]1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024597916	0	48	0.0	-66.13	392.54	-0.07	-66.20
CC(C)[N@H+]1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024597916	1	48	0.0	-68.43	383.16	-0.01	-68.44
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024597946	0	49	0.0	-71.28	398.26	0.47	-70.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024597946	1	49	0.0	-71.21	398.22	0.47	-70.74
CC(C)C1=[NH+]C=CN1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024597986	1	46	0.0	-66.69	396.37	0.44	-66.25
CC1=[NH+]C=CN1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598048	1	40	0.0	-68.14	360.15	-0.68	-68.82
CC(C[NH+]1CCOCC1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598050	0	49	0.0	-73.62	402.03	-1.55	-75.17
O=C(CCC[NH+]1CCCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598073	0	51	0.0	-72.55	415.77	0.91	-71.64
CC(C)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024598114	0	51	0.0	-69.15	400.10	0.68	-68.47
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300024598117	0	55	0.0	-71.59	435.38	1.59	-70.00
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300024598117	1	55	0.0	-70.80	436.33	1.63	-69.17
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[NH+]2CCC1CC2	REAL300024598135	0	46	0.0	-75.66	372.09	-0.49	-76.15
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCCC2CCC[N@@H+]21	REAL300024598202	0	49	0.0	-64.61	395.31	0.54	-64.07
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCCC2CCC[N@H+]21	REAL300024598202	1	49	0.0	-64.71	395.24	0.54	-64.17
C[NH+](C)CCN1C=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024598205	0	48	0.0	-79.55	415.04	-0.79	-80.34
C[NH+](C)CCN1C=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024598222	0	48	0.0	-82.01	415.41	-0.79	-82.80
C[C@@H]1[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024598229	0	45	0.0	-74.39	367.26	-1.32	-75.71
C[C@@H]1[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024598229	1	45	0.0	-71.72	372.76	-0.78	-72.50
CCC1=[NH+]C=CN1C(C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598233	1	49	0.0	-66.45	416.67	0.92	-65.53
CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024598236	0	48	0.0	-72.42	387.42	-0.57	-72.99
CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024598236	1	48	0.0	-70.31	391.74	-0.08	-70.39
CC[N@@H+]1CCOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024598266	1	46	0.0	-78.76	385.88	-1.19	-79.95
CC[N@H+]1CCOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024598266	1	46	0.0	-78.77	385.88	-1.19	-79.96
CC[NH+](CC)CC(F)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598342	0	47	0.0	-72.37	394.04	-0.28	-72.65
C[NH+](C)CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300024598343	0	45	0.0	-64.35	395.84	0.33	-64.02
CC1CCC(C)[NH+]1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598472	0	48	0.0	-67.22	387.76	-0.41	-67.63
O=C(CCC[NH+]1CCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598483	0	48	0.0	-72.29	400.55	0.25	-72.04
C[NH+](C)CC1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024598484	0	48	0.0	-74.73	408.88	1.20	-73.53
C#CC[NH+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024598494	0	47	0.0	-76.06	400.49	0.58	-75.48
O=C(CC[NH+]1CCCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598496	0	48	0.0	-72.30	394.27	0.11	-72.19
C[NH+](C)CC1=CC=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598500	0	48	0.0	-63.64	401.80	1.46	-62.18
CC[N@@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598512	0	48	0.0	-67.70	381.09	-0.20	-67.90
CC[N@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598512	1	48	0.0	-67.63	381.07	-0.20	-67.83
CC(C)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024598513	0	54	0.0	-65.92	416.36	1.69	-64.23
C[NH+](C)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024598517	1	48	0.0	-69.40	405.41	1.21	-68.19
CC(C)C[N@@H+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024598544	0	51	0.0	-71.36	415.82	0.68	-70.68
CC(C)C[N@H+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024598544	1	51	0.0	-71.78	416.69	0.66	-71.12
C[NH+](C)C1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024598548	0	45	0.0	-73.44	361.57	-0.74	-74.18
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC[N@@H+]1C1CCOCC1	REAL300024598551	0	53	0.0	-70.80	422.62	-0.71	-71.51
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC[N@H+]1C1CCOCC1	REAL300024598551	1	53	0.0	-70.85	422.50	-0.72	-71.57
C[NH+](C)C(CN1C=CC=N1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598553	1	48	0.0	-68.09	403.24	-1.04	-69.13
CC(C)[N@@H+]1CCCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598560	0	51	0.0	-64.97	399.67	-0.23	-65.20
CC(C)[N@H+]1CCCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598560	1	51	0.0	-69.59	410.06	0.34	-69.25
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300024598561	0	52	0.0	-69.79	406.75	1.07	-68.72
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC[N@H+]1C1CCCC1	REAL300024598561	1	52	0.0	-69.71	408.08	1.12	-68.59
CC(C)[C@@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024598591	0	47	0.0	-69.46	380.02	-0.06	-69.52
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024598664	0	45	0.0	-69.27	376.94	-0.31	-69.58
C[N@@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024598664	1	45	0.0	-69.51	376.84	-0.31	-69.82
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300024598769	0	51	0.0	-65.10	400.08	0.20	-64.90
CN(CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=[NH+]C=C1	REAL300024598854	0	47	0.0	-69.28	405.46	-0.62	-69.90
C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598868	1	44	0.0	-68.75	377.34	-0.51	-69.26
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598868	1	44	0.0	-68.64	383.25	-0.01	-68.65
C[N@@H+]1CCCC1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598879	0	48	0.0	-73.81	398.11	0.21	-73.60
C[N@H+]1CCCC1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598879	1	48	0.0	-71.14	392.67	-0.26	-71.40
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCC[NH+](CCC1)C2	REAL300024598896	0	49	0.0	-71.88	388.11	-0.09	-71.97
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC2CCCC[N@@H+]21	REAL300024598904	0	49	0.0	-65.89	398.60	0.66	-65.23
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC2CCCC[N@H+]21	REAL300024598904	1	49	0.0	-67.60	391.51	0.18	-67.42
CC(C)(C[NH+]1CCOCC1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598916	0	52	0.0	-69.62	411.53	-1.20	-70.82
CC[NH+](CC)CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024598933	0	51	0.0	-74.59	430.92	0.90	-73.69
O=C(CCCC[NH+]1CCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598938	0	51	0.0	-72.79	422.05	1.03	-71.76
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024598941	1	48	0.0	-75.80	407.38	1.30	-74.50
C[N@@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024598941	1	48	0.0	-75.78	407.43	1.30	-74.48
C[NH+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024598959	0	45	0.0	-74.99	375.32	-0.62	-75.61
C[NH+](C)CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024599032	1	44	0.0	-79.57	388.82	-1.32	-80.89
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=CC2=C[NH+]=CN21	REAL300024599034	0	43	0.0	-73.31	383.04	1.46	-71.85
C[N@@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599093	0	45	0.0	-69.13	363.36	-0.87	-70.00
C[N@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599093	1	45	0.0	-69.12	363.38	-0.86	-69.98
CC(C)C[N@@H+]1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599130	0	51	0.0	-68.82	409.64	0.37	-68.45
CC(C)C[N@H+]1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599130	1	51	0.0	-68.00	415.38	0.92	-67.08
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024599319	0	40	0.0	-72.29	360.89	1.20	-71.09
CC1=[NH+]C=CN1CCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599335	1	46	0.0	-69.42	401.69	0.62	-68.80
O=C(CCCC[NH+]1CCOCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599339	1	52	0.0	-76.10	428.99	-0.70	-76.80
C[NH+](C)CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024599345	0	48	0.0	-79.15	408.86	1.20	-77.95
O=C(CC[NH+]1CCOCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599346	1	46	0.0	-75.57	385.99	-2.29	-77.86
C[NH+](C)C(C)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024599368	0	51	0.0	-75.12	404.83	1.19	-73.93
CCC[NH+](CCC)CCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599376	0	56	0.0	-72.70	453.28	1.93	-70.77
CC[N@H+](C)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024599377	0	51	0.0	-69.65	418.06	1.66	-67.99
CC[N@@H+](C)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024599377	1	51	0.0	-68.54	423.98	1.81	-66.73
CC1=C[NH+]=CN1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599404	1	40	0.0	-70.90	359.44	0.01	-70.89
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1C=[NH+]C2=C1CCCC2	REAL300024599418	1	47	0.0	-69.99	402.31	1.78	-68.21
C[NH+](C)CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024599466	0	54	0.0	-73.64	415.39	1.37	-72.27
C[NH+](C)CCC1=CC=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599467	0	51	0.0	-65.88	420.36	1.95	-63.93
C[N@H+](CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024599474	0	54	0.0	-73.72	429.13	1.29	-72.43
C[N@@H+](CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024599474	1	54	0.0	-73.72	429.13	1.31	-72.41
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCC[NH+]1CCC2	REAL300024599480	0	46	0.0	-70.71	375.38	-0.29	-71.00
C[NH+](C)C1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024599524	0	51	0.0	-67.22	403.04	0.39	-66.83
C[N@@H+]1CCC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024599531	0	45	0.0	-74.15	377.26	-0.70	-74.85
C[N@H+]1CCC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024599531	1	45	0.0	-73.27	376.88	-0.67	-73.94
CN(C)C1=CC=[NH+]C=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599545	0	44	0.0	-77.14	381.61	-1.48	-78.62
CCC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024599551	0	44	0.0	-68.47	361.38	-1.29	-69.76
C[NH+](C)C1(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024599576	0	51	0.0	-73.87	394.55	0.14	-73.73
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C[NH+](C)CCCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599739	0	47	0.0	-74.09	396.09	-0.16	-74.25
CC(C)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024599764	0	47	0.0	-69.47	379.78	-0.03	-69.50
CCC[N@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599766	0	47	0.0	-73.56	392.32	-0.33	-73.89
CCC[N@@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599766	1	47	0.0	-73.55	392.32	-0.33	-73.88
CCC[N@H+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599773	0	44	0.0	-71.40	369.95	-0.88	-72.28
CCC[N@@H+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599773	1	44	0.0	-71.36	369.95	-0.88	-72.24
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CC[N@H+](C1)CCC2	REAL300024599806	0	46	0.0	-75.61	372.66	-1.06	-76.67
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CC[N@@H+](C1)CCC2	REAL300024599806	1	46	0.0	-75.68	372.65	-1.05	-76.73
C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599882	0	42	0.0	-70.28	350.72	-1.74	-72.02
C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599882	1	42	0.0	-68.32	356.67	-1.24	-69.56
CC1CC2CCC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C[N@@H+]2C1	REAL300024599912	0	52	0.0	-65.20	412.96	1.26	-63.94
CC1CC2CCC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C[N@H+]2C1	REAL300024599912	1	52	0.0	-64.12	412.94	1.29	-62.83
CCCCCC[N@H+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599972	0	53	0.0	-72.70	434.45	1.46	-71.24
CCCCCC[N@@H+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599972	1	53	0.0	-72.70	434.44	1.46	-71.24
CC[NH+](CC)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024599984	0	53	0.0	-66.38	410.61	0.85	-65.53
CC[NH+](CC)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599997	0	44	0.0	-69.57	366.82	-0.93	-70.50
CCC[N@@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024600032	0	51	0.0	-70.97	414.47	0.73	-70.24
CCC[N@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024600032	1	51	0.0	-65.70	408.22	0.93	-64.77
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300024600045	0	55	0.0	-65.74	427.60	1.48	-64.26
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300024600045	1	55	0.0	-65.71	428.26	1.52	-64.19
CC(C)[N@@H+]1CCOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024600058	0	49	0.0	-71.11	395.55	-0.82	-71.93
CC(C)[N@H+]1CCOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024600058	1	49	0.0	-76.73	402.66	-0.68	-77.41
CC1CC[NH+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024600101	0	48	0.0	-71.66	393.68	0.20	-71.46
C[NH+]1CCC(OCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024600145	0	49	0.0	-77.71	410.67	-0.20	-77.91
C[NH+](C)CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024600165	0	45	0.0	-71.99	382.39	-0.53	-72.52
CC1=[NH+]C=C2CCC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)CN21	REAL300024600166	1	47	0.0	-66.12	399.07	0.48	-65.64
CC(C)[NH+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024600278	0	51	0.0	-72.29	405.96	0.33	-71.96
C[NH+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024600310	0	45	0.0	-74.99	375.32	-0.62	-75.61
CC(C)[C@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024600333	0	47	0.0	-69.52	379.78	-0.03	-69.55
CCC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024600373	0	50	0.0	-65.54	393.32	-0.27	-65.81
CC[N@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024600478	0	44	0.0	-72.75	370.82	-1.07	-73.82
CC[N@@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024600478	1	44	0.0	-72.77	370.82	-1.08	-73.85
CC1CCC[N@@H+]1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024600567	0	45	0.0	-67.97	369.43	-0.90	-68.87
CC1CCC[N@H+]1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024600567	1	45	0.0	-68.61	375.88	-0.52	-69.13
CC1CC[N@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024600570	0	45	0.0	-70.66	376.79	-0.55	-71.21
CC1CC[N@@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024600570	1	45	0.0	-70.64	376.75	-0.56	-71.20
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024600571	0	51	0.0	-67.69	412.51	0.01	-67.68
CC(C)(C)[N@H+]1CCC(F)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024600571	1	51	0.0	-67.35	412.54	0.02	-67.33
CC1=[NH+]C=C2CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300024600573	1	47	0.0	-68.91	399.95	0.46	-68.45
C[NH+](C)CCC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024600575	0	51	0.0	-79.90	431.36	2.04	-77.86
CC1(C)CC[N@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024600577	0	48	0.0	-70.78	396.29	-0.03	-70.81
CC1(C)CC[N@@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024600577	1	48	0.0	-70.81	396.29	-0.03	-70.84
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024600578	0	50	0.0	-71.36	398.56	0.12	-71.24
C[N@@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024600578	1	50	0.0	-71.10	400.50	0.26	-70.84
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024600579	0	51	0.0	-75.58	429.86	2.15	-73.43
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024600579	1	51	0.0	-75.54	429.86	2.15	-73.39
CC[C@@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024600591	0	44	0.0	-68.37	360.96	-1.27	-69.64
CC(COCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCC1	REAL300024600599	0	52	0.0	-70.09	429.30	0.47	-69.62
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[NH+](CC2CC2)CC1	REAL300024600716	0	52	0.0	-75.19	424.51	1.58	-73.61
C[NH+]1CCC(O)(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024600887	0	49	0.0	-70.12	398.35	-1.89	-72.01
COCC[N@@H+]1CCCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024600896	0	52	0.0	-71.87	419.65	-0.96	-72.83
COCC[N@H+]1CCCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024600896	1	52	0.0	-70.05	429.13	-0.85	-70.90
C[NH+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024600904	0	38	0.0	-71.78	330.72	-2.29	-74.07
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCC(CO)CC1	REAL300024600910	0	49	0.0	-72.98	404.51	-3.11	-76.09
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCCCCC1	REAL300024600914	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	REAL300024600919	0	40	0.0	-69.31	361.95	1.22	-68.09
C[N@@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024600932	0	45	0.0	-71.92	375.32	-0.66	-72.58
C[N@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024600932	1	45	0.0	-71.98	375.29	-0.67	-72.65
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC[N@@H+]1C1CC1	REAL300024600938	0	46	0.0	-69.13	383.18	-0.28	-69.41
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC[N@H+]1C1CC1	REAL300024600938	1	46	0.0	-68.69	381.14	-0.42	-69.11
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024600979	1	42	0.0	-69.43	360.73	-1.36	-70.79
CCC(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024600991	0	50	0.0	-73.76	402.23	0.18	-73.58
C[NH+](C)CC(C)(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601000	0	47	0.0	-67.85	378.25	-0.59	-68.44
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024601024	0	47	0.0	-68.49	387.68	0.33	-68.16
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024601024	1	47	0.0	-69.88	388.76	1.03	-68.85
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCC(O)CC1	REAL300024601052	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	REAL300024601054	0	42	0.0	-69.08	360.13	-0.88	-69.96
C[N@@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024601054	1	42	0.0	-69.08	360.12	-0.88	-69.96
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024601055	1	50	0.0	-71.78	403.98	-2.45	-74.23
C[NH+]1CC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601092	0	42	0.0	-72.46	362.16	-1.47	-73.93
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@@H+]1C1CCCC1	REAL300024601096	0	49	0.0	-70.95	403.15	0.68	-70.27
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@H+]1C1CCCC1	REAL300024601096	1	49	0.0	-69.51	396.77	0.15	-69.36
CC(C)(C)[N@@H+]1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601106	0	48	0.0	-68.67	375.20	-0.74	-69.41
CC(C)(C)[N@H+]1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601106	1	48	0.0	-67.97	376.09	-1.14	-69.11
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300024601119	0	48	0.0	-69.56	406.69	-1.77	-71.33
C[C@@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024601123	0	41	0.0	-69.72	348.83	-1.90	-71.62
[N-]=[N+]=NCC(=O)NCCNC(=O)CSC1=NC(=O)NN1	REAL300024601141	0	32	0.0	-24.17	307.69	-6.69	-30.86
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300024602166	0	49	0.0	-72.61	401.61	-3.39	-76.00
C#CC1(O)CC[NH+](C(C)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024602175	0	51	0.0	-73.35	416.93	-2.50	-75.85
C=CCC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024602187	0	45	0.0	-67.89	374.39	-0.81	-68.70
C[NH+](C)C12CCC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)(CC1)CC2	REAL300024602201	0	55	0.0	-76.18	420.37	0.95	-75.23
C[N@@H+]1CC(C)(C)CC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602209	0	48	0.0	-67.71	396.73	-0.16	-67.87
C[N@H+]1CC(C)(C)CC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602209	1	48	0.0	-69.70	391.11	-0.69	-70.39
C[NH+](C)CCCCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602214	0	50	0.0	-73.49	417.58	0.64	-72.85
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CC2CC2C1	REAL300024602226	0	43	0.0	-71.36	366.07	-0.41	-71.77
CC1C[N@@H+](C2CCC2C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024602247	0	53	0.0	-69.50	426.91	0.08	-69.42
CC1C[N@H+](C2CCC2C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024602247	1	53	0.0	-71.87	434.47	-0.43	-72.30
CC1C[N@@H+]2CCN1C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024602275	0	48	0.0	-76.38	383.83	-3.28	-79.66
CC1C[N@H+]2CCN1C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024602275	1	48	0.0	-76.64	383.71	-3.23	-79.87
CCCC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024602277	0	47	0.0	-69.49	382.63	-0.51	-70.00
C[NH+](C)C(C)(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602283	0	44	0.0	-72.59	358.19	-1.11	-73.70
CC[NH+](CC)CCSCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602332	0	51	0.0	-75.23	428.86	0.73	-74.50
C[N@@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602344	0	45	0.0	-69.13	363.36	-0.87	-70.00
C[N@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602344	1	45	0.0	-69.12	363.38	-0.86	-69.98
[N-]=[N+]=NCC(F)(F)CCC(=O)NCCNC(=O)CSC1=NC(=O)NN1	REAL300024602363	0	41	0.0	-22.77	382.61	-4.32	-27.09
C[N@H+]1CC=C(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024602406	0	46	0.0	-71.14	389.87	0.04	-71.10
C[N@@H+]1CC=C(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024602406	1	46	0.0	-69.65	389.85	0.04	-69.61
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1([NH+]2CCCC2)CC1	REAL300024602419	0	49	0.0	-68.27	395.83	0.45	-67.82
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(C[NH+]2CCCC2)CCCC1	REAL300024602446	0	55	0.0	-64.52	424.80	1.85	-62.67
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024602486	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	REAL300024602486	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	REAL300024602491	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	REAL300024602491	1	45	0.0	-77.59	395.30	-0.48	-78.07
O=C(C=CC[NH+]1CCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602518	0	46	0.0	-74.38	391.28	-0.01	-74.39
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[NH+](C2CC2)CC1	REAL300024602550	0	49	0.0	-72.52	400.17	0.58	-71.94
C[N@@H+]1CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(C(F)(F)F)C1	REAL300024602575	0	45	0.0	-77.78	388.11	-0.78	-78.56
C[N@H+]1CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(C(F)(F)F)C1	REAL300024602575	1	45	0.0	-77.78	388.11	-0.78	-78.56
O=C(CC[NH+]1CCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602581	0	45	0.0	-72.34	379.05	-0.56	-72.90
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[NH+]2CCN1CC2	REAL300024602643	0	45	0.0	-76.85	367.00	-3.82	-80.67
C[N@@H+]1CC2CC1(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024602654	0	43	0.0	-72.13	363.51	-1.21	-73.34
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=NN1CC[NH+](C)C	REAL300024602670	0	51	0.0	-80.02	430.86	-0.29	-80.31
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@@H+]1CC2CCC1C2	REAL300024602673	0	46	0.0	-68.60	374.89	-0.38	-68.98
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@H+]1CC2CCC1C2	REAL300024602673	1	46	0.0	-68.60	374.89	-0.38	-68.98
CC(C)[NH+]1CCC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024602690	0	54	0.0	-69.51	424.59	1.03	-68.48
O=C(C=C1C[NH+]2CCC1CC2)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602745	0	47	0.0	-68.56	386.86	0.11	-68.45
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1CC2C=CC1C2	REAL300024602759	0	44	0.0	-69.47	369.84	-0.33	-69.80
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024602759	1	44	0.0	-67.84	369.81	-0.42	-68.26
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@H+]1CC2C=CC1C2	REAL300024602759	1	44	0.0	-67.84	369.81	-0.42	-68.26
C[NH+](C)CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024602803	0	51	0.0	-76.57	426.98	1.81	-74.76
CC(C[NH+](C)C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602837	0	44	0.0	-72.51	369.12	-1.01	-73.52
C[N@@H+]1CCCCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602949	0	48	0.0	-73.56	389.98	-0.10	-73.66
C[N@H+]1CCCCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602949	1	48	0.0	-73.56	389.98	-0.10	-73.66
CC1=C2C=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=N1	REAL300024602972	0	43	0.0	-74.02	383.08	1.79	-72.23
CC1=C2C=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024602972	1	43	0.0	-74.02	383.08	1.79	-72.23
CC1CCN1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602977	0	42	0.0	-69.17	356.51	-1.47	-70.64
CC1CC[N@@H+]1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602977	1	42	0.0	-70.11	362.06	-1.21	-71.32
CC1CC[N@H+]1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602977	1	42	0.0	-70.11	362.06	-1.21	-71.32
C[NH+](C)CC(O)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602982	0	45	0.0	-76.38	383.32	-3.25	-79.63
CC1CN(C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024603024	0	46	0.0	-81.59	382.08	-1.53	-83.12
CC1C[N@H+](C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024603024	1	46	0.0	-74.21	382.17	-1.25	-75.46
CC1C[N@@H+](C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024603024	1	46	0.0	-74.21	382.17	-1.25	-75.46
O=C(CC[NH+]1CCC(O)CC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603038	0	49	0.0	-76.03	405.36	-3.24	-79.27
CCC[N@@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603041	0	51	0.0	-67.32	412.01	0.69	-66.63
CCC[N@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603041	1	51	0.0	-67.32	412.01	0.69	-66.63
CC[NH+]1CCN(CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024603046	0	53	0.0	-73.69	429.33	-1.63	-75.32
CCN1CC[NH+](CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024603046	1	53	0.0	-73.69	429.33	-1.63	-75.32
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300024603049	0	52	0.0	-64.98	405.43	1.18	-63.80
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300024603049	1	52	0.0	-64.98	405.43	1.18	-63.80
CC(C)C[NH+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024603103	0	54	0.0	-74.65	431.79	1.47	-73.18
C[NH+](C)C1CCN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024603136	0	53	0.0	-72.12	424.06	-1.58	-73.70
C[NH+](C)[C@H]1C[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024603161	0	45	0.0	-72.13	380.27	-0.56	-72.69
CC(CC[NH+](C)C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603171	0	47	0.0	-72.96	390.76	-0.39	-73.35
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300024603209	0	49	0.0	-69.17	401.72	-3.08	-72.25
C[N@@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300024603209	1	49	0.0	-69.32	401.50	-2.91	-72.23
C#CC[N@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603219	1	47	0.0	-68.55	388.58	0.34	-68.21
C#CC[N@@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603219	1	47	0.0	-67.81	398.01	0.50	-67.31
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603225	0	51	0.0	-73.54	424.25	2.35	-71.19
C[NH+]1CCN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024603227	1	47	0.0	-72.25	390.13	-2.77	-75.02
CC[NH+]1CCN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024603240	0	50	0.0	-70.88	407.48	-2.10	-72.98
C[N@@H+]1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603414	0	42	0.0	-68.27	357.10	-1.21	-69.48
C[N@H+]1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603414	1	42	0.0	-70.23	350.75	-1.73	-71.96
C[N@@H+]1CCOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024603439	1	43	0.0	-73.82	360.98	-1.99	-75.81
C[N@H+]1CCOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024603439	1	43	0.0	-73.86	361.00	-1.98	-75.84
CC1=[NH+]C=CN1CCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603613	1	46	0.0	-69.42	401.69	0.62	-68.80
O=C(CCCC[NH+]1CCOCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603617	1	52	0.0	-76.10	428.99	-0.70	-76.80
C[NH+](C)CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024603623	0	48	0.0	-79.15	408.86	1.20	-77.95
O=C(CC[NH+]1CCOCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603624	1	46	0.0	-75.57	385.99	-2.29	-77.86
C[NH+](C)C(C)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024603646	0	51	0.0	-75.12	404.83	1.19	-73.93
CCC[NH+](CCC)CCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603654	0	56	0.0	-72.70	453.28	1.93	-70.77
CC[N@H+](C)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024603655	0	51	0.0	-69.65	418.06	1.66	-67.99
CC[N@@H+](C)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024603655	1	51	0.0	-68.54	423.98	1.81	-66.73
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCC[NH+]1CCC2	REAL300024603676	0	46	0.0	-70.71	375.38	-0.29	-71.00
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024603696	1	40	0.0	-75.93	361.16	1.23	-74.70
C[NH+](C)C1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024603786	0	51	0.0	-67.22	403.04	0.39	-66.83
C[N@@H+]1CCC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024603793	0	45	0.0	-74.15	377.26	-0.70	-74.85
C[N@H+]1CCC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024603793	1	45	0.0	-73.27	376.88	-0.67	-73.94
CN(C)C1=CC=[NH+]C=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603807	0	44	0.0	-77.14	381.61	-1.48	-78.62
CCC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024603813	0	44	0.0	-68.47	361.38	-1.29	-69.76
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300024603823	1	43	0.0	-80.97	390.42	-0.85	-81.82
CC1CC2CCC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C[N@@H+]2C1	REAL300024603878	0	52	0.0	-65.20	412.96	1.26	-63.94
CC1CC2CCC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C[N@H+]2C1	REAL300024603878	1	52	0.0	-64.12	412.94	1.29	-62.83
C[NH+](C)CCCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603918	0	47	0.0	-74.09	396.09	-0.16	-74.25
CC(C)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024603945	0	47	0.0	-69.47	379.78	-0.03	-69.50
CCC[N@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603947	0	47	0.0	-73.56	392.32	-0.33	-73.89
CCC[N@@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603947	1	47	0.0	-73.55	392.32	-0.33	-73.88
CCC[N@H+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603954	0	44	0.0	-71.40	369.95	-0.88	-72.28
CCC[N@@H+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603954	1	44	0.0	-71.36	369.95	-0.88	-72.24
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CC[N@H+](C1)CCC2	REAL300024603987	0	46	0.0	-75.61	372.66	-1.06	-76.67
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CC[N@@H+](C1)CCC2	REAL300024603987	1	46	0.0	-75.68	372.65	-1.05	-76.73
CCCCCC[N@H+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604043	0	53	0.0	-72.70	434.45	1.46	-71.24
CCCCCC[N@@H+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604043	1	53	0.0	-72.70	434.44	1.46	-71.24
CC[NH+](CC)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024604055	0	53	0.0	-66.38	410.61	0.85	-65.53
CC1CC[NH+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024604103	0	48	0.0	-71.66	393.68	0.20	-71.46
C[NH+]1CCC(OCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024604147	0	49	0.0	-77.71	410.67	-0.20	-77.91
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024604223	0	49	0.0	-71.28	398.26	0.47	-70.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024604223	1	49	0.0	-71.21	398.22	0.47	-70.74
C[NH+](C)CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024604244	0	45	0.0	-71.99	382.39	-0.53	-72.52
CC1=[NH+]C=C2CCC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)CN21	REAL300024604245	1	47	0.0	-66.12	399.07	0.48	-65.64
CC(C)[NH+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024604258	0	51	0.0	-72.29	405.96	0.33	-71.96
CC[N@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604298	0	44	0.0	-72.75	370.82	-1.07	-73.82
CC[N@@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604298	1	44	0.0	-72.77	370.82	-1.08	-73.85
CC(C)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024604341	0	51	0.0	-69.15	400.10	0.68	-68.47
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300024604344	0	55	0.0	-71.59	435.38	1.59	-70.00
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300024604344	1	55	0.0	-70.80	436.33	1.63	-69.17
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[NH+]2CCC1CC2	REAL300024604362	0	46	0.0	-75.66	372.09	-0.49	-76.15
C[NH+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024604467	0	45	0.0	-74.99	375.32	-0.62	-75.61
CC(C)[C@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024604490	0	47	0.0	-69.52	379.78	-0.03	-69.55
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[NH+](CC2CC2)CC1	REAL300024604599	0	52	0.0	-75.19	424.51	1.58	-73.61
CC[NH+](CC)CC(F)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604653	0	47	0.0	-72.37	394.04	-0.28	-72.65
C[NH+](C)CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300024604654	0	45	0.0	-64.35	395.84	0.33	-64.02
CC(C)C[N@@H+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024604704	0	51	0.0	-71.36	415.82	0.68	-70.68
CC(C)C[N@H+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024604704	1	51	0.0	-71.78	416.69	0.66	-71.12
C[NH+](C)C1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024604708	0	45	0.0	-73.44	361.57	-0.74	-74.18
CCC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024604750	0	50	0.0	-65.54	393.32	-0.27	-65.81
CC1CCC[N@@H+]1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604783	0	45	0.0	-67.97	369.43	-0.90	-68.87
CC1CCC[N@H+]1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604783	1	45	0.0	-68.61	375.88	-0.52	-69.13
CC(C)C1=[NH+]C=CN1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604896	1	49	0.0	-66.33	416.13	0.86	-65.47
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300024604904	0	51	0.0	-68.08	401.81	0.49	-67.59
CC(C)[N@@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604907	0	51	0.0	-65.19	403.81	0.21	-64.98
CC(C)[N@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604907	1	51	0.0	-65.83	397.68	0.28	-65.55
CC(C)[N@@H+]1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604943	0	48	0.0	-66.13	392.54	-0.07	-66.20
CC(C)[N@H+]1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604943	1	48	0.0	-68.43	383.16	-0.01	-68.44
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC[N@@H+]1C1CCOCC1	REAL300024604952	0	53	0.0	-70.80	422.62	-0.71	-71.51
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC[N@H+]1C1CCOCC1	REAL300024604952	1	53	0.0	-70.85	422.50	-0.72	-71.57
C[NH+](C)C(CN1C=CC=N1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604954	1	48	0.0	-68.09	403.24	-1.04	-69.13
CC(C)[N@@H+]1CCCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604961	0	51	0.0	-64.97	399.67	-0.23	-65.20
CC(C)[N@H+]1CCCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024604961	1	51	0.0	-69.59	410.06	0.34	-69.25
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300024604962	0	52	0.0	-69.79	406.75	1.07	-68.72
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC[N@H+]1C1CCCC1	REAL300024604962	1	52	0.0	-69.71	408.08	1.12	-68.59
CC(C)[C@@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024604992	0	47	0.0	-69.46	380.02	-0.06	-69.52
CC1CC[N@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024605030	0	45	0.0	-70.66	376.79	-0.55	-71.21
CC1CC[N@@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024605030	1	45	0.0	-70.64	376.75	-0.56	-71.20
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024605031	0	51	0.0	-67.69	412.51	0.01	-67.68
CC(C)(C)[N@H+]1CCC(F)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024605031	1	51	0.0	-67.35	412.54	0.02	-67.33
CC1=[NH+]C=C2CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300024605033	1	47	0.0	-68.91	399.95	0.46	-68.45
C[NH+](C)CCC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024605035	0	51	0.0	-79.90	431.36	2.04	-77.86
CC1(C)CC[N@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024605037	0	48	0.0	-70.78	396.29	-0.03	-70.81
CC1(C)CC[N@@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024605037	1	48	0.0	-70.81	396.29	-0.03	-70.84
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024605038	0	50	0.0	-71.36	398.56	0.12	-71.24
C[N@@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024605038	1	50	0.0	-71.10	400.50	0.26	-70.84
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605039	0	51	0.0	-75.58	429.86	2.15	-73.43
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605039	1	51	0.0	-75.54	429.86	2.15	-73.39
CC[C@@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024605051	0	44	0.0	-68.37	360.96	-1.27	-69.64
CC(COCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCC1	REAL300024605059	0	52	0.0	-70.09	429.30	0.47	-69.62
CN(CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=[NH+]C=C1	REAL300024605244	0	47	0.0	-69.28	405.46	-0.62	-69.90
CC1=[NH+]C=CN1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605386	1	40	0.0	-68.14	360.15	-0.68	-68.82
CC(C[NH+]1CCOCC1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605388	0	49	0.0	-73.62	402.03	-1.55	-75.17
O=C(CCC[NH+]1CCCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605411	0	51	0.0	-72.55	415.77	0.91	-71.64
C[NH+](C)CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024605437	1	44	0.0	-79.57	388.82	-1.32	-80.89
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=CC2=C[NH+]=CN21	REAL300024605439	0	43	0.0	-73.31	383.04	1.46	-71.85
CC(C)C1=[NH+]C=CN1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605503	1	46	0.0	-66.69	396.37	0.44	-66.25
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCCC2CCC[N@@H+]21	REAL300024605568	0	49	0.0	-64.61	395.31	0.54	-64.07
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCCC2CCC[N@H+]21	REAL300024605568	1	49	0.0	-64.71	395.24	0.54	-64.17
CC[N@@H+]1CCOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024605617	1	46	0.0	-78.76	385.88	-1.19	-79.95
CC[N@H+]1CCOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024605617	1	46	0.0	-78.77	385.88	-1.19	-79.96
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024605711	0	40	0.0	-72.29	360.89	1.20	-71.09
CC1=C[NH+]=CN1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605716	1	40	0.0	-70.90	359.44	0.01	-70.89
C[NH+](C)CCN1C=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024605722	0	48	0.0	-79.55	415.04	-0.79	-80.34
C[NH+](C)CCN1C=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024605739	0	48	0.0	-82.01	415.41	-0.79	-82.80
C[C@@H]1[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024605746	0	45	0.0	-74.39	367.26	-1.32	-75.71
C[C@@H]1[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024605746	1	45	0.0	-71.72	372.76	-0.78	-72.50
CCC1=[NH+]C=CN1C(C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605750	1	49	0.0	-66.45	416.67	0.92	-65.53
CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024605753	0	48	0.0	-72.42	387.42	-0.57	-72.99
CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024605753	1	48	0.0	-70.31	391.74	-0.08	-70.39
CC1CCC(C)[NH+]1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605785	0	48	0.0	-67.22	387.76	-0.41	-67.63
O=C(CCC[NH+]1CCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605796	0	48	0.0	-72.29	400.55	0.25	-72.04
C[NH+](C)CC1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024605797	0	48	0.0	-74.73	408.88	1.20	-73.53
C#CC[NH+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024605808	0	47	0.0	-76.06	400.49	0.58	-75.48
O=C(CC[NH+]1CCCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605810	0	48	0.0	-72.30	394.27	0.11	-72.19
C[NH+](C)CC1=CC=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605815	0	48	0.0	-63.64	401.80	1.46	-62.18
CC[N@@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605827	0	48	0.0	-67.70	381.09	-0.20	-67.90
CC[N@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605827	1	48	0.0	-67.63	381.07	-0.20	-67.83
CC(C)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024605828	0	54	0.0	-65.92	416.36	1.69	-64.23
C[NH+](C)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024605832	1	48	0.0	-69.40	405.41	1.21	-68.19
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1C=[NH+]C2=C1CCCC2	REAL300024605842	1	47	0.0	-69.99	402.31	1.78	-68.21
C[NH+](C)CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024605891	0	54	0.0	-73.64	415.39	1.37	-72.27
C[NH+](C)CCC1=CC=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605892	0	51	0.0	-65.88	420.36	1.95	-63.93
C[N@H+](CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024605899	0	54	0.0	-73.72	429.13	1.29	-72.43
C[N@@H+](CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024605899	1	54	0.0	-73.72	429.13	1.31	-72.41
C[NH+](C)C1(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024605903	0	51	0.0	-73.87	394.55	0.14	-73.73
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024606195	0	45	0.0	-69.27	376.94	-0.31	-69.58
C[N@@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024606195	1	45	0.0	-69.51	376.84	-0.31	-69.82
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300024606237	0	51	0.0	-65.10	400.08	0.20	-64.90
CC[NH+](CC)CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024606254	0	51	0.0	-74.59	430.92	0.90	-73.69
O=C(CCCC[NH+]1CCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606259	0	51	0.0	-72.79	422.05	1.03	-71.76
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024606262	1	48	0.0	-75.80	407.38	1.30	-74.50
C[N@@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024606262	1	48	0.0	-75.78	407.43	1.30	-74.48
C[NH+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024606280	0	45	0.0	-74.99	375.32	-0.62	-75.61
C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606366	0	42	0.0	-70.28	350.72	-1.74	-72.02
C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606366	1	42	0.0	-68.32	356.67	-1.24	-69.56
C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606391	1	44	0.0	-68.75	377.34	-0.51	-69.26
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606391	1	44	0.0	-68.64	383.25	-0.01	-68.65
C[N@@H+]1CCCC1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606402	0	48	0.0	-73.81	398.11	0.21	-73.60
C[N@H+]1CCCC1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606402	1	48	0.0	-71.14	392.67	-0.26	-71.40
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCC[NH+](CCC1)C2	REAL300024606419	0	49	0.0	-71.88	388.11	-0.09	-71.97
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC2CCCC[N@@H+]21	REAL300024606427	0	49	0.0	-65.89	398.60	0.66	-65.23
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC2CCCC[N@H+]21	REAL300024606427	1	49	0.0	-67.60	391.51	0.18	-67.42
CCC[N@@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024606545	0	51	0.0	-70.97	414.47	0.73	-70.24
CCC[N@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024606545	1	51	0.0	-65.70	408.22	0.93	-64.77
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300024606558	0	55	0.0	-65.74	427.60	1.48	-64.26
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300024606558	1	55	0.0	-65.71	428.26	1.52	-64.19
CC(C)[N@@H+]1CCOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024606571	0	49	0.0	-71.11	395.55	-0.82	-71.93
CC(C)[N@H+]1CCOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024606571	1	49	0.0	-76.73	402.66	-0.68	-77.41
CC(C)(C[NH+]1CCOCC1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606594	0	52	0.0	-69.62	411.53	-1.20	-70.82
C[N@@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606617	0	45	0.0	-69.13	363.36	-0.87	-70.00
C[N@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606617	1	45	0.0	-69.12	363.38	-0.86	-69.98
CC(C)C[N@@H+]1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606655	0	51	0.0	-68.82	409.64	0.37	-68.45
CC(C)C[N@H+]1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606655	1	51	0.0	-68.00	415.38	0.92	-67.08
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCC(CO)CC1	REAL300024606678	0	49	0.0	-72.98	404.51	-3.11	-76.09
C[NH+]1C2CCC1CC(=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024606727	0	50	0.0	-71.18	403.76	0.66	-70.52
CC1C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024606749	0	45	0.0	-71.68	372.94	-0.85	-72.53
CC1C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024606749	1	45	0.0	-71.57	377.20	-0.88	-72.45
C[N@@H+]1CCCCC1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606753	0	51	0.0	-70.70	412.09	0.63	-70.07
C[N@H+]1CCCCC1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606753	1	51	0.0	-70.86	411.75	0.62	-70.24
[N-]=[N+]=NCC(F)(F)CCC(=O)NCCNC(=O)CSC1=NC(=O)NN1	REAL300024606880	0	41	0.0	-22.77	382.61	-4.32	-27.09
CC(C)(C)[N@@H+]1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606901	0	48	0.0	-68.67	375.20	-0.74	-69.41
CC(C)(C)[N@H+]1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606901	1	48	0.0	-67.97	376.09	-1.14	-69.11
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300024606923	0	48	0.0	-69.56	406.69	-1.77	-71.33
C[C@@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024606929	0	41	0.0	-69.72	348.83	-1.90	-71.62
C[NH+](C)CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024606952	1	47	0.0	-72.02	404.85	-0.64	-72.66
C=CCC(C)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024606958	0	48	0.0	-65.94	386.10	-0.23	-66.17
CC[NH+](CC)CCSCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606997	0	51	0.0	-75.23	428.86	0.73	-74.50
NC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=[NH+]C2=CC=CC=C21	REAL300024606998	1	44	0.0	-66.61	381.65	-1.60	-68.21
O=C(CC[NH+]1CCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607003	0	45	0.0	-72.34	379.05	-0.56	-72.90
C[N@H+](CCO)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607013	1	42	0.0	-71.94	358.80	-4.86	-76.80
C[N@@H+](CCO)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607013	1	42	0.0	-71.57	358.59	-4.86	-76.43
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024607064	0	48	0.0	-76.24	378.89	-2.98	-79.22
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[N@H+]2CCN1CCC2	REAL300024607064	1	48	0.0	-78.90	377.53	-2.49	-81.39
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300024607112	1	46	0.0	-72.12	386.10	-0.44	-72.56
C[N@H+]1CC=C(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024607173	0	46	0.0	-71.14	389.87	0.04	-71.10
C[N@@H+]1CC=C(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024607173	1	46	0.0	-69.65	389.85	0.04	-69.61
C[S+](C)CCC(O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607195	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	REAL300024607229	0	46	0.0	-73.55	378.83	-4.22	-77.77
C[N@H+]1CC(O)CC1(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607229	1	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	REAL300024607248	0	50	0.0	-69.14	402.99	-2.10	-71.24
CN1CC[N@@H+](C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024607248	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	REAL300024607249	0	49	0.0	-68.42	401.59	-3.40	-71.82
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCCC(O)C1	REAL300024607249	1	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	REAL300024607297	0	49	0.0	-68.01	391.34	-2.13	-70.14
C[N@H+]1CCCC(O)(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024607297	1	49	0.0	-67.64	401.04	-1.94	-69.58
CC1C[NH+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024607304	1	42	0.0	-71.37	361.99	-1.20	-72.57
CC[N@@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024607313	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	REAL300024607313	1	48	0.0	-70.30	392.97	-0.01	-70.31
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC[N@@H+]1C1CC1	REAL300024607347	0	46	0.0	-69.13	383.18	-0.28	-69.41
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC[N@H+]1C1CC1	REAL300024607347	1	46	0.0	-68.69	381.14	-0.42	-69.11
CC1C[N@@H+](C2CCC2C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024607384	0	53	0.0	-69.50	426.91	0.08	-69.42
CC1C[N@H+](C2CCC2C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024607384	1	53	0.0	-71.87	434.47	-0.43	-72.30
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(C[NH+]2CCCC2)O1	REAL300024607407	0	49	0.0	-76.21	420.67	0.64	-75.57
O=C(C=CC[NH+]1CCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607414	0	46	0.0	-74.38	391.28	-0.01	-74.39
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[NH+](C2CC2)CC1	REAL300024607449	0	49	0.0	-72.52	400.17	0.58	-71.94
CC[N@H+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607512	0	41	0.0	-71.02	348.45	-1.62	-72.64
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1CC2C=CC1C2	REAL300024607597	0	44	0.0	-69.47	369.84	-0.33	-69.80
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024607597	1	44	0.0	-67.84	369.81	-0.42	-68.26
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@H+]1CC2C=CC1C2	REAL300024607597	1	44	0.0	-67.84	369.81	-0.42	-68.26
CC1=CC=C(NCCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024607624	0	47	0.0	-67.92	409.59	-0.89	-68.81
CC1=CC=C(NCCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)[NH+]=C1	REAL300024607624	1	47	0.0	-67.92	409.59	-0.89	-68.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(C[NH+]2CCCC2)CCCC1	REAL300024607684	0	55	0.0	-64.52	424.80	1.85	-62.67
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[NH+]2CCN1CC2	REAL300024607715	0	45	0.0	-76.85	367.00	-3.82	-80.67
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCC[N@@H+]1CCCC2	REAL300024607787	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	REAL300024607787	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	REAL300024607799	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	REAL300024607799	1	47	0.0	-70.69	376.72	0.59	-70.10
CC(OCC[NH+](C)C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607815	0	48	0.0	-72.18	406.38	-0.55	-72.73
C[NH+](C)CCOCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607829	0	48	0.0	-71.98	407.55	-1.50	-73.48
COCCN(C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607831	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	REAL300024607831	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	REAL300024607831	1	45	0.0	-72.09	381.06	-2.46	-74.55
CC(CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024607840	0	47	0.0	-71.64	388.01	-0.56	-72.20
CC[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024607887	0	45	0.0	-69.74	372.12	-0.38	-70.12
CC1C[N@@H+]2CCN1C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024607908	0	48	0.0	-76.64	383.71	-3.23	-79.87
CC1C[N@H+]2CCN1C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024607908	1	48	0.0	-76.64	383.71	-3.23	-79.87
C[N@@H+]1CC2CC1(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024607951	0	43	0.0	-72.13	363.51	-1.21	-73.34
CC1=NC(N)=CC=C1C=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607965	0	45	0.0	-70.52	395.71	-1.62	-72.14
CC1=[NH+]C(N)=CC=C1C=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607965	1	45	0.0	-70.52	395.71	-1.62	-72.14
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=NN1CC[NH+](C)C	REAL300024607972	0	51	0.0	-80.02	430.86	-0.29	-80.31
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@@H+]1CC2CCC1C2	REAL300024607975	0	46	0.0	-68.60	374.89	-0.38	-68.98
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@H+]1CC2CCC1C2	REAL300024607975	1	46	0.0	-68.60	374.89	-0.38	-68.98
CC(C)[NH+]1CCC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024607996	0	54	0.0	-69.51	424.59	1.03	-68.48
CC(C[NH+](C)C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608013	0	44	0.0	-72.51	369.12	-1.01	-73.52
C[N@@H+]1CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(C(F)(F)F)C1	REAL300024608032	0	45	0.0	-77.78	388.11	-0.78	-78.56
C[N@H+]1CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(C(F)(F)F)C1	REAL300024608032	1	45	0.0	-77.78	388.11	-0.78	-78.56
CCN1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608085	0	42	0.0	-69.04	355.52	-1.56	-70.60
CC[N@@H+]1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608085	1	42	0.0	-70.08	362.35	-1.26	-71.34
CC[N@H+]1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608085	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	REAL300024608106	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	REAL300024608106	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	REAL300024608108	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	REAL300024608108	1	49	0.0	-64.66	416.82	0.15	-64.51
CCC(C)(C)[NH2+]C(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608137	0	50	0.0	-69.82	396.15	-1.64	-71.46
C#CC[N@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608202	1	47	0.0	-68.55	388.58	0.34	-68.21
C#CC[N@@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608202	1	47	0.0	-67.81	398.01	0.50	-67.31
NC1=CC=[NH+]C=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608208	0	38	0.0	-71.75	338.84	-3.81	-75.56
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608214	0	51	0.0	-73.54	424.25	2.35	-71.19
CCCC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024608225	0	47	0.0	-69.49	382.63	-0.51	-70.00
C[NH+](C)C(C)(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608235	0	44	0.0	-72.59	358.19	-1.11	-73.70
CC(CC[NH+](C)C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608266	0	47	0.0	-72.96	390.76	-0.39	-73.35
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300024608339	0	52	0.0	-71.62	401.12	0.47	-71.15
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300024608339	1	52	0.0	-64.98	405.43	1.18	-63.80
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024608380	0	47	0.0	-68.49	387.68	0.33	-68.16
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024608380	1	47	0.0	-69.88	388.76	1.03	-68.85
COCCCC[N@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608437	0	54	0.0	-77.43	447.49	-0.48	-77.91
COCCCC[N@@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608437	1	54	0.0	-77.42	447.49	-0.48	-77.90
C[NH+](C)C12CCC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)(CC1)CC2	REAL300024608443	0	55	0.0	-76.18	420.37	0.95	-75.23
C[N@@H+]1CC(C)(C)CC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608452	0	48	0.0	-67.71	396.73	-0.16	-67.87
C[N@H+]1CC(C)(C)CC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608452	1	48	0.0	-69.70	391.11	-0.69	-70.39
C[NH+](C)CCCCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608458	0	50	0.0	-73.49	417.58	0.64	-72.85
O=C(CC[NH+]1CCC(O)CC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608464	0	49	0.0	-76.03	405.36	-3.24	-79.27
CCC[N@@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608470	0	51	0.0	-68.12	402.57	0.54	-67.58
CCC[N@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608470	1	51	0.0	-67.32	412.01	0.69	-66.63
CC[NH+]1CCN(CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024608481	0	53	0.0	-73.28	428.17	-1.78	-75.06
CCN1CC[NH+](CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024608481	1	53	0.0	-73.69	429.33	-1.63	-75.32
C[NH+]1CCN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024608485	1	47	0.0	-72.25	390.13	-2.77	-75.02
CC(C)C[NH+]1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024608643	0	54	0.0	-74.65	431.79	1.47	-73.18
CC1C[N@H+](C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024608647	1	46	0.0	-81.59	382.08	-1.53	-83.12
CC1C[N@@H+](C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024608647	1	46	0.0	-74.21	382.17	-1.25	-75.46
CCC1CCC[N@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024608693	0	51	0.0	-71.48	411.70	0.83	-70.65
CCC1CCC[N@@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024608693	1	51	0.0	-71.44	411.70	0.83	-70.61
C[NH+](C)CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024608705	0	46	0.0	-80.33	397.30	-0.86	-81.19
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CC2CC2C1	REAL300024608731	0	43	0.0	-71.36	366.07	-0.41	-71.77
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1([NH+]2CCCC2)CC1	REAL300024608756	0	49	0.0	-68.27	395.83	0.45	-67.82
CC([NH2+]C1(CO)CCCC1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608782	0	52	0.0	-70.87	413.44	-4.11	-74.98
C[N@@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608823	0	45	0.0	-69.13	363.36	-0.87	-70.00
C[N@H+]1CCCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608823	1	45	0.0	-69.12	363.38	-0.86	-69.98
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300024608832	1	49	0.0	-74.28	422.27	1.70	-72.58
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300024608832	1	49	0.0	-70.59	414.45	1.59	-69.00
CC(C)C[N@@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024608839	0	54	0.0	-70.39	431.93	1.42	-68.97
CC(C)C[N@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024608839	1	54	0.0	-66.05	425.60	1.63	-64.42
C[NH+](C)C1CCN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024608926	0	53	0.0	-72.12	424.06	-1.58	-73.70
C[N@@H+]1CCC(=CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609021	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	REAL300024609021	1	43	0.0	-75.01	369.57	-0.74	-75.75
O=C(CNC1=CC=[NH+]C=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609029	0	41	0.0	-71.08	366.44	-3.02	-74.10
[N-]=[N+]=NCC(=O)NCCNC(=O)CSC1=NC(=O)NN1	REAL300024609099	0	32	0.0	-24.17	307.69	-6.69	-30.86
CC[NH+]1CCN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609108	0	50	0.0	-70.88	407.48	-2.10	-72.98
O=C(C=C1C[NH+]2CCC1CC2)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609113	0	47	0.0	-68.56	386.86	0.11	-68.45
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(CC[NH+]2CCCCC2)CC1	REAL300024610233	0	55	0.0	-72.02	448.12	2.13	-69.89
CC1(O)CC[N@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024610275	0	46	0.0	-71.65	387.12	-3.89	-75.54
CC1(O)CC[N@@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024610275	1	46	0.0	-71.61	386.94	-3.89	-75.50
C[NH+](C)CCN1N=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610286	0	48	0.0	-69.45	410.50	-0.83	-70.28
C[NH+]1CC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024610329	0	42	0.0	-72.46	362.16	-1.47	-73.93
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@@H+]1C1CCCC1	REAL300024610335	0	49	0.0	-70.95	403.15	0.68	-70.27
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@H+]1C1CCCC1	REAL300024610335	1	49	0.0	-69.51	396.77	0.15	-69.36
C[NH+](C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610345	0	38	0.0	-71.78	330.72	-2.29	-74.07
C[N@H+](CCO)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610397	0	45	0.0	-72.66	381.17	-4.30	-76.96
C[N@@H+](CCO)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610397	1	45	0.0	-72.42	381.15	-4.31	-76.73
C[C@@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024610398	0	41	0.0	-69.72	348.83	-1.90	-71.62
C[N@@H+]1CCCCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610426	0	48	0.0	-73.52	389.96	-0.09	-73.61
C[N@H+]1CCCCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610426	1	48	0.0	-73.56	389.98	-0.10	-73.66
CC1=C2C=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024610461	1	43	0.0	-74.02	383.08	1.79	-72.23
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024610462	0	45	0.0	-69.51	381.07	-0.62	-70.13
CC1CC[N@@H+]1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610468	1	42	0.0	-69.17	356.51	-1.47	-70.64
CC1CC[N@H+]1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610468	1	42	0.0	-70.11	362.06	-1.21	-71.32
C[NH+](C)CC=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610489	0	42	0.0	-75.62	367.95	-1.04	-76.66
CC1(C)C[NH+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024610507	1	45	0.0	-71.43	381.56	-0.62	-72.05
O=C(CCCC[NH+]1CCCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610522	0	54	0.0	-73.00	437.27	1.70	-71.30
CC1=C(C)[NH+]=C(CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024610540	1	46	0.0	-66.98	400.96	-1.00	-67.98
C[N@@H+]1CCC2=C(C1)SC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)=C2	REAL300024610541	1	46	0.0	-79.14	404.81	0.78	-78.36
C[N@H+]1CCC2=C(C1)SC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)=C2	REAL300024610541	1	46	0.0	-79.15	404.81	0.78	-78.37
C[NH+]1CCC(C2(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024610555	0	52	0.0	-67.48	419.01	1.39	-66.09
CC1=C2C=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024610566	1	43	0.0	-74.02	383.08	1.79	-72.23
C[NH+](C)CCSCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610582	0	45	0.0	-77.02	397.62	-0.36	-77.38
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300024610604	0	51	0.0	-71.55	425.68	1.71	-69.84
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300024610604	1	51	0.0	-71.53	425.61	1.72	-69.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@H+]1CCCC1CO	REAL300024610617	0	46	0.0	-70.04	385.56	-3.75	-73.79
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@@H+]1CCCC1CO	REAL300024610617	1	46	0.0	-70.57	383.73	-3.73	-74.30
CC[NH+](CC)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610620	0	44	0.0	-69.57	366.82	-0.93	-70.50
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCSC1	REAL300024610637	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	REAL300024610637	1	46	0.0	-77.19	390.06	-0.07	-77.26
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCC1	REAL300024610639	1	39	0.0	-71.49	340.82	-1.87	-73.36
CC[NH+](CC)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610707	0	47	0.0	-72.18	384.32	-0.65	-72.83
NC(=O)C1CC[NH+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024610733	0	49	0.0	-81.33	408.37	-3.75	-85.08
C[NH+](C)CC1=CNC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024610797	0	46	0.0	-76.02	397.11	-0.96	-76.98
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300024610823	0	49	0.0	-72.61	401.61	-3.39	-76.00
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2COCC[N@@H+]2C1	REAL300024610832	0	47	0.0	-70.70	389.13	-1.91	-72.61
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2COCC[N@H+]2C1	REAL300024610832	1	47	0.0	-72.91	389.46	-1.96	-74.87
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024610854	1	42	0.0	-69.43	360.73	-1.36	-70.79
CCC(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024610868	0	50	0.0	-73.76	402.23	0.18	-73.58
C[NH+](C)CC(C)(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610878	0	47	0.0	-67.85	378.25	-0.59	-68.44
C[NH+](C)C(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024610925	0	51	0.0	-76.62	420.47	1.71	-74.91
C[N@@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610968	0	45	0.0	-69.10	363.36	-0.87	-69.97
C[N@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610968	1	45	0.0	-67.94	372.66	-0.70	-68.64
CC1CN2CC[N@@H+]1CC2C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610986	0	48	0.0	-74.64	383.56	-3.31	-77.95
CC1CN2CC[N@H+]1CC2C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024610986	1	48	0.0	-75.51	382.10	-3.42	-78.93
C[NH+](C)CC(O)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611022	0	45	0.0	-76.38	383.32	-3.25	-79.63
C[NH+]1C2CCC1CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024611025	0	49	0.0	-69.11	373.65	0.25	-68.86
C#CC1(O)CC[NH+](C(C)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024611067	0	51	0.0	-73.35	416.93	-2.50	-75.85
C=CCC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024611082	0	45	0.0	-67.89	374.39	-0.81	-68.70
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024611098	0	49	0.0	-71.28	398.26	0.47	-70.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024611098	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	REAL300024611116	0	48	0.0	-70.13	387.98	-0.21	-70.34
C[NH+]1CCC(O)(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024611122	0	49	0.0	-70.12	398.35	-1.89	-72.01
COCC[N@@H+]1CCCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611141	0	52	0.0	-71.87	419.65	-0.96	-72.83
COCC[N@H+]1CCCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611141	1	52	0.0	-70.05	429.13	-0.85	-70.90
C[NH+]1C2CCC1CC(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024611157	0	52	0.0	-72.15	396.41	0.16	-71.99
NC(=[NH2+])SCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611176	0	36	0.0	-73.02	338.64	-5.34	-78.36
CC[N@@H+]1CCOCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611231	0	49	0.0	-73.06	394.10	-1.92	-74.98
C[NH+](C)CCC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024611253	0	54	0.0	-74.81	431.93	1.30	-73.51
CC1CCCC(C)[NH+]1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611255	0	54	0.0	-69.59	421.31	0.81	-68.78
C[NH+](C)C1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024611258	0	51	0.0	-75.30	409.55	0.56	-74.74
C[NH+](C)CCC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024611259	0	48	0.0	-73.84	405.14	0.22	-73.62
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024611263	0	51	0.0	-68.41	403.02	0.41	-68.00
C[N@@H+]1CC=CCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611264	0	46	0.0	-74.34	381.97	-0.23	-74.57
C[N@H+]1CC=CCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611264	1	46	0.0	-74.34	381.97	-0.23	-74.57
C[C@@H](OCC[NH+](C)C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611301	0	48	0.0	-70.17	406.39	-0.54	-70.71
C[NH+]1C2CCC1CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024611345	0	49	0.0	-69.11	373.65	0.25	-68.86
C[NH+]1CCC(O)(C2(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024611473	0	53	0.0	-69.56	421.26	-1.36	-70.92
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(CC[NH+]2CCCCC2)CC1	REAL300024611502	0	55	0.0	-72.02	448.12	2.13	-69.89
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300024611528	1	46	0.0	-72.12	386.10	-0.44	-72.56
CCC1C[NH+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024611531	1	45	0.0	-72.20	383.38	-0.43	-72.63
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[NH+](C2CCOCC2)C1	REAL300024611533	0	50	0.0	-76.45	413.91	-1.34	-77.79
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1([NH+]2CCCC2)CCC1	REAL300024611535	0	49	0.0	-70.05	390.74	0.42	-69.63
C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611547	1	42	0.0	-70.21	350.68	-1.74	-71.95
O=C(CC[N@@H+]1CCC(F)C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611557	1	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	REAL300024611568	1	49	0.0	-72.41	400.39	-1.62	-74.03
O=C(CC[NH+]1CCCCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611582	0	51	0.0	-74.10	404.74	0.34	-73.76
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCCCC1	REAL300024611586	0	45	0.0	-70.89	372.83	-0.40	-71.29
CC1C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024611596	0	45	0.0	-71.68	372.94	-0.85	-72.53
CC1C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024611596	1	45	0.0	-71.57	377.20	-0.88	-72.45
C[N@@H+]1CCCCC1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611599	0	51	0.0	-70.70	412.09	0.63	-70.07
C[N@H+]1CCCCC1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611599	1	51	0.0	-70.86	411.75	0.62	-70.24
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@@H+]2CCOCC12	REAL300024611644	0	47	0.0	-69.22	385.82	-1.97	-71.19
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@H+]2CCOCC12	REAL300024611644	1	47	0.0	-69.14	385.95	-1.96	-71.10
CC1=[NH+]C=C2C=CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300024611653	0	43	0.0	-68.65	382.31	0.98	-67.67
CN1CCOCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611676	0	46	0.0	-68.37	373.85	-2.61	-70.98
C[N@@H+]1CCOCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611676	1	46	0.0	-68.36	373.85	-2.61	-70.97
C[N@H+]1CCOCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611676	1	46	0.0	-68.37	373.85	-2.61	-70.98
CC1=C(C)[NH+]=C(CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024611690	1	46	0.0	-66.98	400.96	-1.00	-67.98
CCOCC(N=[N+]=[N-])C(=O)NCCNC(=O)CSC1=NC(=O)NN1	REAL300024611700	0	42	0.0	-23.76	383.91	-6.01	-29.77
C[NH+](C)CCC1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024611703	0	51	0.0	-75.85	431.37	2.04	-73.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCN1CC1=CC=CC=C1	REAL300024611708	0	49	0.0	-70.59	414.45	1.59	-69.00
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@@H+]1CC1=CC=CC=C1	REAL300024611708	1	49	0.0	-74.28	422.27	1.70	-72.58
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC[N@H+]1CC1=CC=CC=C1	REAL300024611708	1	49	0.0	-70.59	414.45	1.59	-69.00
CC(C)C[N@@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024611712	0	54	0.0	-70.39	431.93	1.42	-68.97
CC(C)C[N@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024611712	1	54	0.0	-66.05	425.60	1.63	-64.42
C[NH+](C)CCN1N=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611764	0	48	0.0	-69.45	410.50	-0.83	-70.28
CN1CCC2=C(C1)SC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)=C2	REAL300024611806	0	46	0.0	-79.15	404.81	0.78	-78.37
C[N@@H+]1CCC2=C(C1)SC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)=C2	REAL300024611806	1	46	0.0	-79.14	404.81	0.78	-78.36
C[N@H+]1CCC2=C(C1)SC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)=C2	REAL300024611806	1	46	0.0	-79.15	404.81	0.78	-78.37
C[NH+]1CCC(C2(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024611818	0	52	0.0	-67.48	419.01	1.39	-66.09
CC1=C2C=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024611831	1	43	0.0	-74.02	383.08	1.79	-72.23
C[NH+](C)CCSCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024611846	0	45	0.0	-77.02	397.62	-0.36	-77.38
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2COCC[N@@H+]2C1	REAL300024611858	0	47	0.0	-70.70	389.13	-1.91	-72.61
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2COCC[N@H+]2C1	REAL300024611858	1	47	0.0	-72.91	389.46	-1.96	-74.87
C[N@@H+]1CCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612021	0	45	0.0	-73.07	372.23	-0.96	-74.03
C[N@H+]1CCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612021	1	45	0.0	-73.13	372.25	-0.95	-74.08
CN1CCOC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024612045	0	46	0.0	-77.51	382.49	-1.21	-78.72
C[N@@H+]1CCOC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024612045	1	46	0.0	-85.34	389.60	-1.06	-86.40
C[N@H+]1CCOC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024612045	1	46	0.0	-77.51	382.49	-1.21	-78.72
CC(C)C1=[NH+]C=CN1CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612220	1	52	0.0	-69.15	437.63	1.64	-67.51
CC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300024612227	0	54	0.0	-70.91	423.31	1.27	-69.64
CC(C)[N@@H+]1CCCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612229	0	54	0.0	-68.02	425.34	0.98	-67.04
CC(C)[N@H+]1CCCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612229	1	54	0.0	-68.11	425.28	0.98	-67.13
CC(C)[N@@H+]1CCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612255	0	51	0.0	-71.59	405.09	0.77	-70.82
CC(C)[N@H+]1CCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612255	1	51	0.0	-69.25	411.00	0.61	-68.64
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024612279	0	52	0.0	-75.04	419.76	1.25	-73.79
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024612279	1	52	0.0	-71.30	419.54	1.23	-70.07
CC(C)C1=[NH+]C=CN1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612306	1	49	0.0	-69.46	417.86	1.21	-68.25
CC1=[NH+]C=CN1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612353	1	43	0.0	-70.87	381.65	0.10	-70.77
CC(C[NH+]1CCOCC1)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612355	0	52	0.0	-76.48	423.53	-0.78	-77.26
O=C(CCC[NH+]1CCCCC1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612374	0	54	0.0	-75.45	437.27	1.68	-73.77
CC(C)(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024612397	0	54	0.0	-73.61	421.60	1.46	-72.15
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1C[NH+]2CCC1CC2	REAL300024612411	0	49	0.0	-79.66	393.59	0.29	-79.37
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CCCC2CCC[N@@H+]21	REAL300024612461	0	52	0.0	-67.29	416.81	1.32	-65.97
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CCCC2CCC[N@H+]21	REAL300024612461	1	52	0.0	-67.42	416.77	1.32	-66.10
C[NH+](C)CCN1C=C(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024612463	0	51	0.0	-82.39	436.54	-0.02	-82.41
C[NH+](C)CCN1C=CC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024612473	0	51	0.0	-86.43	436.91	-0.01	-86.44
C[C@@H]1[C@H](C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024612479	0	48	0.0	-77.80	388.76	-0.55	-78.35
C[C@@H]1[C@H](C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024612479	1	48	0.0	-74.85	394.31	-0.02	-74.87
CCC1=[NH+]C=CN1C(C)CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612482	1	52	0.0	-69.32	438.17	1.69	-67.63
CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024612485	0	51	0.0	-75.46	409.23	0.16	-75.30
CC[C@@H]1[C@@H](C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024612485	1	51	0.0	-74.90	414.68	0.48	-74.42
CC[N@@H+]1CCOC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024612508	1	49	0.0	-76.70	400.28	-0.57	-77.27
CC[N@H+]1CCOC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024612508	1	49	0.0	-76.63	400.31	-0.57	-77.20
CC[NH+](CC)CC(F)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612560	0	50	0.0	-75.64	415.54	0.49	-75.15
C[NH+](C)CC1=C(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300024612561	0	48	0.0	-65.64	417.85	1.08	-64.56
CC1CCC(C)[NH+]1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612652	0	51	0.0	-69.94	409.25	0.37	-69.57
O=C(CCC[NH+]1CCCC1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612658	0	51	0.0	-75.22	422.05	1.02	-74.20
C[NH+](C)CC1=CC=CC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024612659	0	51	0.0	-77.40	430.38	1.98	-75.42
C#CC[NH+]1CCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024612665	0	50	0.0	-79.56	421.99	1.36	-78.20
O=C(CC[NH+]1CCCCC1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612666	0	51	0.0	-75.27	415.77	0.89	-74.38
C[NH+](C)CC1=CC=CC=C1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612670	0	51	0.0	-64.72	423.30	2.24	-62.48
CC[N@@H+]1CCCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612676	0	51	0.0	-70.21	402.56	0.58	-69.63
CC[N@H+]1CCCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612676	1	51	0.0	-70.23	402.57	0.58	-69.65
CC(C)C(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024612677	0	57	0.0	-68.61	441.26	1.95	-66.66
C[NH+](C)C(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024612680	1	51	0.0	-72.08	426.91	1.98	-70.10
CC(C)C[N@@H+]1CCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024612700	0	54	0.0	-74.64	437.11	1.44	-73.20
CC(C)C[N@H+]1CCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024612700	1	54	0.0	-74.90	438.19	1.44	-73.46
C[NH+](C)C1(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024612704	0	48	0.0	-78.51	383.07	0.03	-78.48
C[NH+](C)C(CN1C=CC=N1)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612705	1	51	0.0	-68.40	421.39	0.08	-68.32
CC(C)[N@@H+]1CCCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612710	0	54	0.0	-66.51	421.44	1.02	-65.49
CC(C)[N@H+]1CCCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612710	1	54	0.0	-72.60	431.56	1.11	-71.49
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300024612711	0	55	0.0	-73.08	428.25	1.84	-71.24
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CCC[N@H+]1C1CCCC1	REAL300024612711	1	55	0.0	-71.20	438.19	1.87	-69.33
CC(C)[C@@H](C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024612727	0	50	0.0	-72.08	401.39	0.72	-71.36
C[N@H+](CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024612781	0	48	0.0	-71.83	398.44	0.47	-71.36
C[N@@H+](CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024612781	1	48	0.0	-72.12	398.34	0.46	-71.66
CC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300024612854	0	54	0.0	-67.76	421.58	0.96	-66.80
CN(CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=[NH+]C=C1	REAL300024612915	0	50	0.0	-72.33	426.96	0.16	-72.17
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612923	1	47	0.0	-71.66	398.84	0.27	-71.39
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024612923	1	47	0.0	-71.54	404.77	0.78	-70.76
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CC(C)(C)[N@@H+]1CCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614532	0	51	0.0	-71.75	396.92	0.00	-71.75
CC(C)(C)[N@H+]1CCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614532	1	51	0.0	-70.67	397.56	-0.35	-71.02
C[C@@H](C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024614544	0	44	0.0	-72.45	370.33	-1.12	-73.57
[N-]=[N+]=NCC(=O)NCCCNC(=O)CSC1=NC(=O)NN1	REAL300024614559	0	35	0.0	-26.16	329.19	-5.92	-32.08
CCC1CCC[N@H+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614591	0	54	0.0	-74.29	426.18	1.57	-72.72
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[NH2+]=C1SC=CN1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614653	0	41	0.0	-70.54	379.29	-1.33	-71.87
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C[N@@H+](CCO)CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614665	1	48	0.0	-75.19	402.65	-3.54	-78.73
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C[N@@H+]1CCCC[C@@H]1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614670	0	48	0.0	-71.52	384.86	-0.09	-71.61
C[N@H+]1CCCC[C@@H]1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614670	1	48	0.0	-70.63	394.18	0.08	-70.55
CC1CN2CC[N@@H+]1CC2C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614680	0	51	0.0	-79.70	403.57	-2.62	-82.32
CC1CN2CC[N@H+]1CC2C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614680	1	51	0.0	-79.61	403.60	-2.64	-82.25
COC1C[N@@H+]2CCCC2(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614721	0	53	0.0	-78.11	429.77	-0.47	-78.58
COC1C[N@H+]2CCCC2(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614721	1	53	0.0	-76.02	430.10	-0.54	-76.56
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300024614733	0	46	0.0	-73.50	406.62	2.67	-70.83
C[N@H+](CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCSC1	REAL300024614760	0	49	0.0	-79.78	412.94	0.71	-79.07
C[N@@H+](CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCSC1	REAL300024614760	1	49	0.0	-80.02	411.56	0.71	-79.31
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[NH+]1CCC1	REAL300024614761	1	42	0.0	-74.21	362.32	-1.09	-75.30
C[NH+](C)CC1=CC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024614796	1	50	0.0	-75.11	426.37	0.52	-74.59
C[N@@H+]1CCC(=CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614798	0	46	0.0	-77.88	390.11	0.05	-77.83
C[N@H+]1CCC(=CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614798	1	46	0.0	-77.70	391.07	0.03	-77.67
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1C[NH+](C2CCCCC2)C1	REAL300024614824	0	55	0.0	-74.79	443.64	1.84	-72.95
C[NH+](C)CCOCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614839	0	48	0.0	-74.69	408.09	-0.46	-75.15
CCCCC[N@H+](C)CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614845	0	56	0.0	-77.56	456.81	1.99	-75.57
CCCCC[N@@H+](C)CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614845	1	56	0.0	-77.54	456.81	1.99	-75.55
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024614855	0	52	0.0	-75.68	431.06	0.42	-75.26
C=CCC(C)(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024614862	0	51	0.0	-68.14	407.60	0.54	-67.60
C[S+](C)CCC(O)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614867	0	47	0.0	-79.54	417.08	-1.85	-81.39
C[N@@H+]1CC(O)CC1(C)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614897	0	49	0.0	-78.40	400.09	-3.08	-81.48
CN1CC[N@H+](C)CC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614911	0	53	0.0	-72.29	422.35	-1.35	-73.64
CN1CC[N@@H+](C)CC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614911	1	53	0.0	-72.29	422.35	-1.35	-73.64
CC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(O)C1	REAL300024614912	0	52	0.0	-73.45	423.09	-2.63	-76.08
C[N@@H+]1CCCC(O)(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614934	0	52	0.0	-69.80	422.53	-1.16	-70.96
C[N@H+]1CCCC(O)(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614934	1	52	0.0	-69.80	422.53	-1.16	-70.96
CC1CN(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614937	0	45	0.0	-74.10	383.49	-0.42	-74.52
CC1C[NH+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614937	1	45	0.0	-74.10	383.49	-0.42	-74.52
CN(CCO)CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614965	0	45	0.0	-74.59	380.30	-4.08	-78.67
C[N@H+](CCO)CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614965	1	45	0.0	-74.33	380.08	-4.09	-78.42
C[N@@H+](CCO)CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024614965	1	45	0.0	-74.33	380.08	-4.09	-78.42
C[NH+]1C2CCC1CC(=CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024614986	0	53	0.0	-73.49	425.26	1.43	-72.06
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024614991	0	51	0.0	-83.49	399.03	-1.71	-85.20
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1C[N@H+]2CCN1CCC2	REAL300024614991	1	51	0.0	-83.49	399.03	-1.71	-85.20
CC[N@@H+]1CCCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614998	0	51	0.0	-73.22	414.48	0.77	-72.45
CC[N@H+]1CCCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024614998	1	51	0.0	-73.22	414.48	0.77	-72.45
CC(CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024615000	0	50	0.0	-76.30	409.41	0.49	-75.81
CC[N@H+](C)CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615015	0	44	0.0	-73.61	369.95	-0.84	-74.45
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C12CCC[N@@H+]1CCCC2	REAL300024615043	0	52	0.0	-69.02	407.74	1.04	-67.98
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C12CCC[N@H+]1CCCC2	REAL300024615043	1	52	0.0	-69.02	407.74	1.04	-67.98
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024615052	0	50	0.0	-75.66	398.22	1.36	-74.30
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C12CCC[N@H+]1CC=CC2	REAL300024615052	1	50	0.0	-75.66	398.22	1.36	-74.30
CC[N@H+](CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024615076	0	48	0.0	-72.28	393.62	0.39	-71.89
CC[NH+](CC)CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615099	0	50	0.0	-74.86	410.17	0.40	-74.46
CC1(C)CN(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024615128	0	48	0.0	-74.31	402.83	0.11	-74.20
CC1(C)C[NH+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024615128	1	48	0.0	-74.31	402.83	0.11	-74.20
O=C(CCCC[NH+]1CCCCC1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615134	0	57	0.0	-76.00	458.76	2.48	-73.52
CC1(O)CC[N@H+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024615165	0	49	0.0	-74.37	408.62	-3.11	-77.48
CC1(O)CC[N@@H+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024615165	1	49	0.0	-74.39	408.43	-3.11	-77.50
C[NH+](C)CC=CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615174	0	45	0.0	-78.63	388.18	-0.30	-78.93
CC(OCC[NH+](C)C)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615198	0	51	0.0	-75.09	427.87	0.24	-74.85
C[NH+](C)CCOCCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615209	0	51	0.0	-74.99	429.04	-0.72	-75.71
COCC[N@H+](C)CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615210	1	48	0.0	-74.18	402.34	-1.68	-75.86
COCC[N@@H+](C)CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615210	1	48	0.0	-74.86	402.56	-1.68	-76.54
C[NH+](C)C1(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024615258	0	51	0.0	-78.83	403.34	0.69	-78.14
CC(CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024615261	0	50	0.0	-74.39	409.50	0.22	-74.17
CC[N@@H+]1CCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615271	1	45	0.0	-71.65	377.02	-0.79	-72.44
CC[N@H+]1CCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615271	1	45	0.0	-73.05	383.85	-0.48	-73.53
CC(C)[N@@H+]1CCCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024615282	0	54	0.0	-66.80	424.87	1.48	-65.32
CC(C)[N@H+]1CCCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024615282	1	54	0.0	-72.13	431.12	1.28	-70.85
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[N@H+]1CCCC1CO	REAL300024615296	0	49	0.0	-72.95	407.06	-2.97	-75.92
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[N@@H+]1CCCC1CO	REAL300024615296	1	49	0.0	-73.41	405.23	-2.96	-76.37
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024615322	0	52	0.0	-75.04	419.76	1.25	-73.79
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024615322	1	52	0.0	-71.30	419.54	1.23	-70.07
C[NH+]1CCC(C)(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024615329	0	51	0.0	-72.93	409.47	0.56	-72.37
C[NH+](C)CC1=CNC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024615335	0	49	0.0	-79.48	418.61	-0.18	-79.66
CC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300024615353	0	52	0.0	-75.02	417.70	-2.74	-77.76
C=CCC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024615365	0	48	0.0	-70.35	395.89	-0.03	-70.38
C[N@@H+]1CC(C)(C)CC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615382	0	51	0.0	-72.42	412.11	0.20	-72.22
C[N@H+]1CC(C)(C)CC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615382	1	51	0.0	-72.56	412.61	0.09	-72.47
C[NH+](C)CCCCCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615386	0	53	0.0	-76.48	439.08	1.40	-75.08
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[NH+]1CC2CC2C1	REAL300024615396	0	46	0.0	-74.05	387.57	0.36	-73.69
CC1C[N@@H+]2CCN1C(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024615430	0	51	0.0	-80.44	405.23	-2.54	-82.98
CC1C[N@H+]2CCN1C(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024615430	1	51	0.0	-80.82	405.19	-2.46	-83.28
CCCC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024615431	0	50	0.0	-71.95	404.13	0.26	-71.69
C[NH+](C)C(C)(C)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615436	0	47	0.0	-77.33	379.68	-0.37	-77.70
C[N@@H+]1CCCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615481	0	48	0.0	-71.54	384.86	-0.09	-71.63
C[N@H+]1CCCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615481	1	48	0.0	-71.48	384.87	-0.10	-71.58
[N-]=[N+]=NCC(F)(F)CCC(=O)NCCCNC(=O)CSC1=NC(=O)NN1	REAL300024615493	0	44	0.0	-24.20	404.11	-3.54	-27.74
C[N@H+]1CC=C(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024615528	0	49	0.0	-73.55	411.37	0.82	-72.73
C[N@@H+]1CC=C(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024615528	1	49	0.0	-71.79	411.35	0.82	-70.97
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)CC1([NH+]2CCCC2)CC1	REAL300024615537	0	52	0.0	-71.90	416.21	1.15	-70.75
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024615589	0	57	0.0	-76.16	442.22	1.62	-74.54
C[N@H+]1CCCC(C(C)(C)C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024615589	1	57	0.0	-76.16	442.22	1.62	-74.54
CN(C)CC1=CC=C(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024615594	0	48	0.0	-81.70	416.80	0.30	-81.40
C[NH+](C)CC1=CC=C(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024615594	1	48	0.0	-81.70	416.80	0.30	-81.40
O=C(C=CC[NH+]1CCCC1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615613	0	49	0.0	-77.55	412.78	0.77	-76.78
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC[NH+](C2CC2)CC1	REAL300024615638	0	52	0.0	-76.29	421.67	1.36	-74.93
O=C(CC[NH+]1CCCC1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615661	0	48	0.0	-75.28	400.55	0.22	-75.06
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1C[NH+]2CCN1CC2	REAL300024615703	0	48	0.0	-80.94	388.49	-3.05	-83.99
C[N@@H+]1CC2CC1(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024615713	0	46	0.0	-77.08	382.41	-0.16	-77.24
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[N@@H+]1CC2CCC1C2	REAL300024615727	0	49	0.0	-72.04	398.63	0.58	-71.46
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[N@H+]1CC2CCC1C2	REAL300024615727	1	49	0.0	-72.04	398.63	0.58	-71.46
CC(C)[NH+]1CCC(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024615738	0	57	0.0	-72.12	446.08	1.81	-70.31
O=C(C=C1C[NH+]2CCC1CC2)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615785	0	50	0.0	-70.31	408.36	0.88	-69.43
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)CN1CC2C=CC1C2	REAL300024615796	0	47	0.0	-72.18	391.33	0.45	-71.73
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024615796	1	47	0.0	-70.36	391.31	0.36	-70.00
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[N@H+]1CC2C=CC1C2	REAL300024615796	1	47	0.0	-70.36	391.31	0.36	-70.00
CC(C[NH+](C)C)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615855	0	47	0.0	-75.39	390.63	-0.24	-75.63
C[N@@H+]1CCCCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615944	0	51	0.0	-76.67	411.48	0.68	-75.99
C[N@H+]1CCCCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615944	1	51	0.0	-76.67	411.48	0.68	-75.99
CC1=C2C=C(C(=O)NCCCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=N1	REAL300024615964	0	46	0.0	-77.98	404.57	2.57	-75.41
CC1=C2C=C(C(=O)NCCCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024615964	1	46	0.0	-77.98	404.57	2.57	-75.41
CC1CCN1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615969	0	45	0.0	-71.89	378.01	-0.70	-72.59
CC1CC[N@@H+]1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615969	1	45	0.0	-72.85	383.55	-0.43	-73.28
CC1CC[N@H+]1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615969	1	45	0.0	-72.85	383.55	-0.43	-73.28
C[NH+](C)CC(O)CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024615974	0	48	0.0	-79.51	404.82	-2.47	-81.98
CC1CN(C)CC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024616007	0	49	0.0	-77.95	403.70	-0.48	-78.43
CC1C[N@H+](C)CC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024616007	1	49	0.0	-77.90	403.67	-0.47	-78.37
CC1C[N@@H+](C)CC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024616007	1	49	0.0	-77.90	403.67	-0.47	-78.37
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CC[N@@H+]1CCOC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024617989	1	49	0.0	-76.70	400.28	-0.57	-77.27
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CC[N@@H+]1CCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024619779	1	45	0.0	-73.05	383.85	-0.48	-73.53
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CC(C)[N@@H+]1CCCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024619793	0	54	0.0	-72.13	431.12	1.28	-70.85
CC(C)[N@H+]1CCCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024619793	1	54	0.0	-72.13	431.12	1.28	-70.85
CCC(C)(C)[NH2+]C(C)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024619812	0	53	0.0	-72.56	417.66	-0.88	-73.44
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C#CC[N@H+]1CCCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024619864	1	50	0.0	-70.77	419.49	1.29	-69.48
C#CC[N@@H+]1CCCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024619864	1	50	0.0	-70.77	419.49	1.29	-69.48
CCCC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024619879	0	50	0.0	-71.95	404.13	0.26	-71.69
C[NH+](C)C(C)(C)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024619887	0	47	0.0	-77.33	379.68	-0.37	-77.70
CC(CC[NH+](C)C)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024619911	0	50	0.0	-75.67	412.26	0.38	-75.29
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300024619965	0	55	0.0	-66.97	426.93	1.96	-65.01
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300024619965	1	55	0.0	-66.97	426.93	1.96	-65.01
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024619999	0	50	0.0	-74.51	410.26	1.81	-72.70
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C[NH+](C)CCCCCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620053	0	53	0.0	-76.48	439.08	1.40	-75.08
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CCC[N@@H+]1CCCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620064	0	54	0.0	-70.07	433.49	1.47	-68.60
CCC[N@H+]1CCCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620064	1	54	0.0	-70.07	433.49	1.47	-68.60
CC[NH+]1CCN(CCC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024620073	0	56	0.0	-76.64	450.83	-0.86	-77.50
CCN1CC[NH+](CCC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024620073	1	56	0.0	-76.64	450.83	-0.86	-77.50
CN1CCN(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024620076	0	50	0.0	-74.93	411.62	-1.99	-76.92
C[NH+]1CCN(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024620076	1	50	0.0	-74.93	411.62	-1.99	-76.92
CC(C)C[NH+]1CCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024620197	0	57	0.0	-78.43	453.29	2.24	-76.19
CC1C[N@H+](C)CC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024620200	1	49	0.0	-77.95	403.70	-0.48	-78.43
CC1C[N@@H+](C)CC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024620200	1	49	0.0	-77.90	403.67	-0.47	-78.37
CCC1CCC[N@H+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024620234	0	54	0.0	-74.29	426.18	1.57	-72.72
CCC1CCC[N@@H+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024620234	1	54	0.0	-74.15	433.20	1.60	-72.55
C[NH+](C)CC1=CC=C(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024620243	0	49	0.0	-85.52	418.80	-0.08	-85.60
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[NH+]1CC2CC2C1	REAL300024620264	0	46	0.0	-74.05	387.57	0.36	-73.69
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)CC1([NH+]2CCCC2)CC1	REAL300024620282	0	52	0.0	-71.90	416.21	1.15	-70.75
C[N@@H+]1CCCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620329	0	48	0.0	-71.54	384.86	-0.09	-71.63
C[N@H+]1CCCCC1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620329	1	48	0.0	-71.48	384.87	-0.10	-71.58
CC(C)C[N@@H+]1CCCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024620341	0	57	0.0	-73.27	453.43	2.20	-71.07
CC(C)C[N@H+]1CCCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024620341	1	57	0.0	-68.09	447.15	2.39	-65.70
C[NH+](C)C1CCN(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024620405	0	56	0.0	-74.60	445.56	-0.81	-75.41
C[N@@H+]1CCC(=CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024620475	0	46	0.0	-77.88	390.11	0.05	-77.83
C[N@H+]1CCC(=CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024620475	1	46	0.0	-77.70	391.07	0.03	-77.67
O=C(CNC1=CC=[NH+]C=C1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620481	0	44	0.0	-74.28	387.94	-2.25	-76.53
[N-]=[N+]=NCC(=O)NCCCNC(=O)CSC1=NC(=O)NN1	REAL300024620540	0	35	0.0	-26.16	329.19	-5.92	-32.08
CC[NH+]1CCN(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024620549	0	53	0.0	-73.49	428.98	-1.33	-74.82
O=C(C=C1C[NH+]2CCC1CC2)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620552	0	50	0.0	-70.31	408.36	0.88	-69.43
C[NH+](C)C1(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024620600	0	51	0.0	-78.83	403.34	0.69	-78.14
C[N@H+](CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300024620612	0	52	0.0	-71.56	423.22	-2.31	-73.87
C[N@@H+](CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300024620612	1	52	0.0	-71.89	423.00	-2.13	-74.02
CCC1C[NH+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024620618	1	48	0.0	-74.88	404.88	0.34	-74.54
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1C[NH+](C2CCOCC2)C1	REAL300024620622	0	53	0.0	-79.66	435.41	-0.56	-80.22
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1([NH+]2CCCC2)CCC1	REAL300024620624	0	52	0.0	-74.84	412.24	1.19	-73.65
C[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620638	0	45	0.0	-70.31	377.92	-0.55	-70.86
C[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620638	1	45	0.0	-73.10	372.26	-0.96	-74.06
CC[N@@H+]1CCOCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620677	0	52	0.0	-77.91	420.03	-1.02	-78.93
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1C[NH+](C2CCCCC2)C1	REAL300024620702	0	55	0.0	-74.79	443.64	1.84	-72.95
COC1C[N@@H+]2CCCC2(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024620718	0	53	0.0	-76.02	430.10	-0.54	-76.56
COC1C[N@H+]2CCCC2(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024620718	1	53	0.0	-76.02	430.10	-0.54	-76.56
NC1=NC2=CC(C(=O)NCCCNC(=O)CSC3=NNC(=O)[N-]3)=CC=C2N1	REAL300024620784	0	45	0.0	-74.75	396.37	-0.25	-75.00
NC1=[NH+]C2=CC(C(=O)NCCCNC(=O)CSC3=NNC(=O)[N-]3)=CC=C2N1	REAL300024620784	1	45	0.0	-74.75	396.37	-0.25	-75.00
C[NH+](C)[C@H]1C[C@H](C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024620831	0	48	0.0	-75.02	401.78	0.22	-74.80
C[NH+](C)CCC1(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024620844	0	57	0.0	-79.07	453.43	2.07	-77.00
CC1CCCC(C)[NH+]1CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620846	0	57	0.0	-72.64	442.81	1.59	-71.05
C[NH+](C)C1CCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024620849	0	54	0.0	-79.13	431.04	1.33	-77.80
C[NH+](C)CCC1(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024620850	0	51	0.0	-78.45	426.64	0.99	-77.46
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024620852	0	54	0.0	-70.90	424.51	1.18	-69.72
C[N@@H+]1CC=CCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620853	0	49	0.0	-77.43	403.44	0.54	-76.89
C[N@H+]1CC=CCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620853	1	49	0.0	-77.45	403.47	0.54	-76.91
CC1=CC(C=CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)=C[NH+]=C1N	REAL300024620911	1	48	0.0	-76.95	417.40	-0.55	-77.50
C[NH+](C)CCOCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620925	0	48	0.0	-74.69	408.09	-0.46	-75.15
CCCCC[N@H+](C)CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620931	0	56	0.0	-77.56	456.81	1.99	-75.57
CCCCC[N@@H+](C)CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620931	1	56	0.0	-77.54	456.81	1.99	-75.55
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024620944	0	52	0.0	-75.68	431.06	0.42	-75.26
[NH2+]=C1SC=CN1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024620971	0	41	0.0	-70.54	379.29	-1.33	-71.87
C[C@@H](OCC[NH+](C)C)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621059	0	51	0.0	-72.83	427.89	0.23	-72.60
O=C(CC[NH+]1CCCCCC1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621123	0	54	0.0	-77.12	426.24	1.11	-76.01
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[NH+]1CCCCC1	REAL300024621127	0	48	0.0	-73.58	394.33	0.38	-73.20
C[N@@H+]1CCCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024621129	0	48	0.0	-74.80	396.80	0.11	-74.69
C[N@H+]1CCCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024621129	1	48	0.0	-74.81	396.79	0.10	-74.71
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[NH+]1CCC(CO)CC1	REAL300024621130	0	52	0.0	-75.56	426.01	-2.33	-77.89
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[NH+]1CCCCCC1	REAL300024621136	0	51	0.0	-73.26	403.30	0.55	-72.71
CN1C=C[N+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024621143	0	43	0.0	-72.08	383.45	2.00	-70.08
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024621160	0	57	0.0	-76.14	442.21	1.61	-74.53
C[N@H+]1CCCC(C(C)(C)C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024621160	1	57	0.0	-76.16	442.22	1.62	-74.54
C[NH+](C)CC1=CC=C(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024621165	1	48	0.0	-81.70	416.80	0.30	-81.40
C[NH+](C)CC1=CC=C(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024621172	0	50	0.0	-80.39	426.15	0.50	-79.89
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[NH+]1CCC(O)CC1	REAL300024621189	1	49	0.0	-78.51	405.03	-2.99	-81.50
C[N@H+](CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024621195	0	45	0.0	-71.59	381.63	-0.11	-71.70
C[N@@H+](CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024621195	1	45	0.0	-71.54	381.62	-0.11	-71.65
CC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024621197	1	53	0.0	-74.38	425.48	-1.68	-76.06
O=C(CC[N@H+]1CCC(F)C1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621201	0	48	0.0	-77.91	406.82	0.30	-77.61
O=C(CC[N@@H+]1CCC(F)C1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621201	1	48	0.0	-80.02	406.26	0.25	-79.77
COC1C[N@H+](C)C(C)(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024621216	0	52	0.0	-76.33	422.17	-0.70	-77.03
COC1C[N@@H+](C)C(C)(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024621216	1	52	0.0	-76.96	422.62	-1.05	-78.01
CCOCC(N=[N+]=[N-])C(=O)NCCCNC(=O)CSC1=NC(=O)NN1	REAL300024621230	0	45	0.0	-25.79	405.39	-5.23	-31.02
CC(CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024621238	0	50	0.0	-76.30	409.41	0.49	-75.81
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC[N@@H+]2CCOCC12	REAL300024621260	0	50	0.0	-71.66	407.32	-1.20	-72.86
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC[N@H+]2CCOCC12	REAL300024621260	1	50	0.0	-71.57	407.47	-1.20	-72.77
CC1=[NH+]C=C2C=CC(C(=O)NCCCNC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300024621266	0	46	0.0	-71.79	403.81	1.76	-70.03
C[N@@H+]1CCOCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621286	1	49	0.0	-70.54	395.35	-1.84	-72.38
C[N@H+]1CCOCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621286	1	49	0.0	-70.56	395.35	-1.84	-72.40
CC[NH+]1CCN(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024621297	0	53	0.0	-73.49	428.98	-1.33	-74.82
CC1(O)CC[N@H+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024621420	0	49	0.0	-74.37	408.62	-3.11	-77.48
CC1(O)CC[N@@H+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024621420	1	49	0.0	-74.39	408.43	-3.11	-77.50
C[NH+](C)CCN1N=CC=C1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621428	0	51	0.0	-70.91	431.99	-0.05	-70.96
C[NH+]1CC(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024621461	0	45	0.0	-75.18	383.66	-0.69	-75.87
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC[N@@H+]1C1CCCC1	REAL300024621467	0	52	0.0	-74.02	424.65	1.45	-72.57
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC[N@H+]1C1CCCC1	REAL300024621467	1	52	0.0	-72.25	418.27	0.93	-71.32
C[NH+](C)CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621475	0	41	0.0	-74.28	352.22	-1.52	-75.80
C[N@H+](CCO)CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621512	0	48	0.0	-75.49	402.67	-3.52	-79.01
C[N@@H+](CCO)CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621512	1	48	0.0	-75.19	402.65	-3.54	-78.73
C[C@@H](C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024621513	0	44	0.0	-72.45	370.33	-1.12	-73.57
C[N@@H+]1CCCCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621537	0	51	0.0	-76.67	411.46	0.68	-75.99
C[N@H+]1CCCCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621537	1	51	0.0	-76.67	411.48	0.68	-75.99
CC1=C2C=C(C(=O)NCCCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024621565	1	46	0.0	-77.98	404.57	2.57	-75.41
CC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024621566	0	48	0.0	-72.41	402.56	0.15	-72.26
CC1CC[N@@H+]1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621571	1	45	0.0	-71.89	378.01	-0.70	-72.59
CC1CC[N@H+]1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621571	1	45	0.0	-72.85	383.55	-0.43	-73.28
C[NH+](C)CC=CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621588	0	45	0.0	-78.63	388.18	-0.30	-78.93
CC1(C)C[NH+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024621602	1	48	0.0	-74.31	402.83	0.11	-74.20
O=C(CCCC[NH+]1CCCCC1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621616	0	57	0.0	-76.00	458.76	2.48	-73.52
CC1=C(C)[NH+]=C(CCC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024621629	1	49	0.0	-69.98	422.46	-0.23	-70.21
C[NH+]1CCC(C2(C(=O)NCCCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024621638	0	55	0.0	-69.31	440.51	2.17	-67.14
CC1=C2C=C(C(=O)NCCCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024621646	1	46	0.0	-77.98	404.57	2.57	-75.41
C[NH+](C)CCSCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621657	0	48	0.0	-80.35	419.12	0.42	-79.93
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[N@H+]1CCCC1CO	REAL300024621685	0	49	0.0	-72.95	407.06	-2.97	-75.92
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[N@@H+]1CCCC1CO	REAL300024621685	1	49	0.0	-73.41	405.23	-2.96	-76.37
CC[NH+](CC)CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621689	0	47	0.0	-72.14	388.32	-0.15	-72.29
C[N@H+](CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCSC1	REAL300024621700	0	49	0.0	-79.78	412.94	0.71	-79.07
C[N@@H+](CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCSC1	REAL300024621700	1	49	0.0	-80.02	411.56	0.71	-79.31
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[NH+]1CCC1	REAL300024621702	1	42	0.0	-74.21	362.32	-1.09	-75.30
CC[NH+](CC)CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621759	0	50	0.0	-74.86	410.17	0.40	-74.46
NC(=O)C1CC[NH+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024621782	0	52	0.0	-83.99	429.87	-2.97	-86.96
C[NH+](C)CC1=CNC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024621834	0	49	0.0	-79.48	418.61	-0.18	-79.66
CC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300024621855	0	52	0.0	-75.02	417.70	-2.74	-77.76
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC2COCC[N@@H+]2C1	REAL300024621862	0	50	0.0	-73.58	410.64	-1.13	-74.71
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC2COCC[N@H+]2C1	REAL300024621862	1	50	0.0	-76.12	410.96	-1.19	-77.31
CC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024621880	1	45	0.0	-72.36	382.22	-0.58	-72.94
CCC(CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024621890	0	53	0.0	-76.58	423.73	0.96	-75.62
C[NH+](C)CC(C)(C)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621899	0	50	0.0	-72.10	401.36	0.35	-71.75
C[N@@H+]1CCCC[C@@H]1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621970	0	48	0.0	-71.52	384.86	-0.09	-71.61
C[N@H+]1CCCC[C@@H]1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621970	1	48	0.0	-70.63	394.18	0.08	-70.55
CC1CN2CC[N@@H+]1CC2C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621987	0	51	0.0	-79.70	403.57	-2.62	-82.32
CC1CN2CC[N@H+]1CC2C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024621987	1	51	0.0	-79.61	403.60	-2.64	-82.25
C[NH+](C)CC(O)CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622014	0	48	0.0	-79.51	404.82	-2.47	-81.98
C[NH+]1C2CCC1CC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024622017	0	52	0.0	-72.96	395.15	1.03	-71.93
C=CCC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024622058	0	48	0.0	-70.35	395.89	-0.03	-70.38
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024622070	0	52	0.0	-75.04	419.76	1.25	-73.79
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024622070	1	52	0.0	-71.30	419.54	1.23	-70.07
C[NH+]1CCC(C)(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024622084	0	51	0.0	-72.93	409.47	0.56	-72.37
C[NH+]1CCC(O)(CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024622088	0	52	0.0	-72.36	419.85	-1.11	-73.47
C[NH+]1C2CCC1CC(CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024622111	0	55	0.0	-75.42	417.91	0.94	-74.48
NC(=[NH2+])SCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622125	0	39	0.0	-76.41	360.14	-4.56	-80.97
CC[N@@H+]1CCOCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622169	0	52	0.0	-77.91	420.03	-1.02	-78.93
C[NH+](C)CCC1(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024622187	0	57	0.0	-79.07	453.43	2.07	-77.00
CC1CCCC(C)[NH+]1CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622189	0	57	0.0	-72.64	442.81	1.59	-71.05
C[NH+](C)C1CCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024622192	0	54	0.0	-79.13	431.04	1.33	-77.80
C[NH+](C)CCC1(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024622193	0	51	0.0	-78.45	426.64	0.99	-77.46
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024622195	0	54	0.0	-70.90	424.51	1.18	-69.72
C[N@@H+]1CC=CCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622196	0	49	0.0	-77.45	403.47	0.54	-76.91
C[N@H+]1CC=CCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622196	1	49	0.0	-77.45	403.47	0.54	-76.91
C[C@@H](OCC[NH+](C)C)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622221	0	51	0.0	-72.83	427.89	0.23	-72.60
C[NH+]1C2CCC1CC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024622253	0	52	0.0	-72.96	395.15	1.03	-71.93
CC(C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300024622389	1	49	0.0	-74.76	407.60	0.34	-74.42
CCC1C[NH+](CC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024622391	1	48	0.0	-74.88	404.88	0.34	-74.54
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1C[NH+](C2CCOCC2)C1	REAL300024622393	0	53	0.0	-79.66	435.41	-0.56	-80.22
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1([NH+]2CCCC2)CCC1	REAL300024622395	0	52	0.0	-74.84	412.24	1.19	-73.65
C[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622404	0	45	0.0	-70.31	377.92	-0.55	-70.86
C[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622404	1	45	0.0	-73.10	372.26	-0.96	-74.06
O=C(CC[N@@H+]1CCC(F)C1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622413	1	48	0.0	-80.02	406.26	0.25	-79.77
COC1C[N@@H+](C)C(C)(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024622421	1	52	0.0	-76.96	422.62	-1.05	-78.01
O=C(CC[NH+]1CCCCCC1)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622434	0	54	0.0	-77.12	426.24	1.11	-76.01
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C[NH+]1CCCCC1	REAL300024622436	0	48	0.0	-73.58	394.33	0.38	-73.20
CC1C(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024622446	0	48	0.0	-73.22	393.39	-0.28	-73.50
CC1C(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024622446	1	48	0.0	-74.65	398.70	-0.11	-74.76
C[N@@H+]1CCCCC1CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622448	0	54	0.0	-73.48	433.58	1.41	-72.07
C[N@H+]1CCCCC1CCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622448	1	54	0.0	-73.63	433.25	1.40	-72.23
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC[N@@H+]2CCOCC12	REAL300024622481	0	50	0.0	-71.66	407.32	-1.20	-72.86
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC[N@H+]2CCOCC12	REAL300024622481	1	50	0.0	-71.57	407.47	-1.20	-72.77
CC1=[NH+]C=C2C=CC(C(=O)NCCCNC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300024622486	0	46	0.0	-71.79	403.81	1.76	-70.03
CN1CCOCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622505	0	49	0.0	-70.56	395.35	-1.84	-72.40
C[N@@H+]1CCOCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622505	1	49	0.0	-70.54	395.35	-1.84	-72.38
C[N@H+]1CCOCC1CC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622505	1	49	0.0	-70.56	395.35	-1.84	-72.40
CC1=C(C)[NH+]=C(CCC(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024622514	1	49	0.0	-69.98	422.46	-0.23	-70.21
CCOCC(N=[N+]=[N-])C(=O)NCCCNC(=O)CSC1=NC(=O)NN1	REAL300024622520	0	45	0.0	-25.79	405.39	-5.23	-31.02
CC(C)C[N@@H+]1CCCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024622528	0	57	0.0	-73.27	453.43	2.20	-71.07
CC(C)C[N@H+]1CCCC(C(=O)NCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024622528	1	57	0.0	-68.09	447.15	2.39	-65.70
C[NH+](C)CCN1N=CC=C1C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622569	0	51	0.0	-70.91	431.99	-0.05	-70.96
C[NH+]1CCC(C2(C(=O)NCCCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024622612	0	55	0.0	-69.31	440.51	2.17	-67.14
CC1=C2C=C(C(=O)NCCCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024622620	1	46	0.0	-77.98	404.57	2.57	-75.41
C[NH+](C)CCSCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622630	0	48	0.0	-80.35	419.12	0.42	-79.93
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC2COCC[N@@H+]2C1	REAL300024622640	0	50	0.0	-73.58	410.64	-1.13	-74.71
O=C(CSC1=NNC(=O)[N-]1)NCCCNC(=O)C1CC2COCC[N@H+]2C1	REAL300024622640	1	50	0.0	-76.12	410.96	-1.19	-77.31
C[N@@H+]1CCCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622798	0	54	0.0	-72.30	436.72	1.37	-70.93
C[N@H+]1CCCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622798	1	54	0.0	-72.39	436.75	1.38	-71.01
CC1=[NH+]C=CN1CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024622949	1	52	0.0	-70.28	446.15	2.43	-67.85
C[C@@H]1[C@H](C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024622967	0	57	0.0	-77.00	453.26	1.79	-75.21
C[C@@H]1[C@H](C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024622967	1	57	0.0	-74.12	458.80	2.31	-71.81
C[NH+](C)C1(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024622984	0	57	0.0	-76.27	450.89	1.98	-74.29
C[N@H+](CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024622994	0	57	0.0	-71.11	462.93	2.80	-68.31
C[N@@H+](CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024622994	1	57	0.0	-71.37	462.84	2.79	-68.58
C[NH+]1CCC(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024623015	0	57	0.0	-78.00	461.32	2.49	-75.51
C[N@H+]1CCCCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623021	1	57	0.0	-70.77	449.37	2.24	-68.53
CC1=C[NH+]=CN1CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623038	1	52	0.0	-72.97	445.43	3.12	-69.85
C[N@@H+]1CCC(CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623047	0	57	0.0	-76.69	463.26	2.41	-74.28
C[N@H+]1CCC(CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623047	1	57	0.0	-75.67	462.88	2.43	-73.24
CCC(C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024623050	0	56	0.0	-70.17	447.37	1.81	-68.36
CCC[N@H+](C)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623066	0	56	0.0	-73.22	455.95	2.23	-70.99
CCC[N@@H+](C)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623066	1	56	0.0	-73.20	455.94	2.23	-70.97
C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623080	0	54	0.0	-72.33	436.75	1.38	-70.95
C[N@H+]1CCC[C@@H]1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623080	1	54	0.0	-70.20	443.00	1.89	-68.31
CC[NH+](CC)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623092	0	56	0.0	-71.36	452.82	2.18	-69.18
C[NH+](C)CC1(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024623144	0	57	0.0	-75.28	468.52	2.59	-72.69
C[NH+]1CCC(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024623165	0	57	0.0	-78.00	461.32	2.49	-75.51
CC[N@H+](C)CCC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623202	0	56	0.0	-75.16	456.81	2.04	-73.12
CC[N@@H+](C)CCC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623202	1	56	0.0	-75.17	456.81	2.03	-73.14
CC1CCC[N@@H+]1CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623210	0	57	0.0	-69.85	455.43	2.21	-67.64
CC1CCC[N@H+]1CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623210	1	57	0.0	-70.41	461.87	2.59	-67.82
CC1CC[N@H+](CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623211	0	57	0.0	-72.54	462.59	2.58	-69.96
CC1CC[N@@H+](CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623211	1	57	0.0	-72.22	462.10	2.50	-69.72
CC[C@@H](C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024623213	0	56	0.0	-71.22	450.97	2.42	-68.80
C[NH+](C)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623244	0	50	0.0	-73.43	416.72	0.82	-72.61
CN1C=C[N+](CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024623245	0	52	0.0	-71.34	447.95	4.33	-67.01
C[N@@H+]1CCCC(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623248	0	57	0.0	-67.61	455.08	2.64	-64.97
C[N@H+]1CCCC(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623248	1	57	0.0	-67.63	455.04	2.64	-64.99
CC(C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024623255	1	54	0.0	-71.63	446.72	1.75	-69.88
C[N@H+](CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024623263	0	54	0.0	-70.82	446.12	2.23	-68.59
C[N@@H+](CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024623263	1	54	0.0	-70.82	446.12	2.23	-68.59
C[NH+]1CC(CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623273	0	54	0.0	-74.76	448.16	1.64	-73.12
C[C@@H](C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024623284	0	53	0.0	-71.62	434.82	1.21	-70.41
[N-]=[N+]=NCC(=O)NCCCCCCNC(=O)CSC1=NC(=O)NN1	REAL300024623291	0	44	0.0	-25.04	393.68	-3.59	-28.63
C[C@@H](C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024623322	0	53	0.0	-71.62	434.82	1.21	-70.41
C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623325	0	57	0.0	-70.75	449.36	2.24	-68.51
C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623325	1	57	0.0	-69.89	458.68	2.41	-67.48
O=C(CSC1=NNC(=O)[N-]1)NCCCCCCNC(=O)C[NH+]1CCC1	REAL300024623350	1	51	0.0	-73.42	426.81	1.24	-72.18
C[N@@H+]1CCC(=CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623357	0	55	0.0	-77.46	455.56	2.37	-75.09
C[N@H+]1CCC(=CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623357	1	55	0.0	-77.40	455.57	2.37	-75.03
C[C@H](C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024623374	0	53	0.0	-71.68	434.88	1.22	-70.46
CC1C[NH+](CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623388	1	54	0.0	-73.36	447.99	1.91	-71.45
C[N@H+](CCO)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623401	1	54	0.0	-73.80	444.80	-1.75	-75.55
C[N@@H+](CCO)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623401	1	54	0.0	-73.53	444.58	-1.75	-75.28
CC[N@H+](C)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623413	0	53	0.0	-72.84	434.45	1.48	-71.36
CC[N@@H+](C)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623413	1	53	0.0	-72.81	434.45	1.49	-71.32
CC[N@H+](CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024623423	0	57	0.0	-69.34	461.96	2.62	-66.72
CC[N@@H+](CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024623423	1	57	0.0	-71.48	458.11	2.73	-68.75
CC1(C)C[NH+](CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623435	1	57	0.0	-73.50	467.32	2.44	-71.06
C[NH+](C)CC=CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623442	0	54	0.0	-78.29	453.94	2.07	-76.22
CC[N@@H+]1CCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623459	1	54	0.0	-70.92	441.52	1.55	-69.37
CC[N@H+]1CCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623459	1	54	0.0	-72.24	448.35	1.84	-70.40
C=CCC(C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024623478	0	57	0.0	-69.69	460.39	2.30	-67.39
O=C(CSC1=NNC(=O)[N-]1)NCCCCCCNC(=O)C[NH+]1CC2CC2C1	REAL300024623485	0	55	0.0	-73.16	452.06	2.70	-70.46
C[NH+](C)C(C)(C)C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623490	0	56	0.0	-75.94	444.17	1.99	-73.95
C[N@@H+]1CCCCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623500	0	57	0.0	-70.78	449.36	2.24	-68.54
C[N@H+]1CCCCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623500	1	57	0.0	-70.77	449.37	2.24	-68.53
C[NH+](C)C1(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024623532	0	54	0.0	-76.67	439.15	2.52	-74.15
O=C(CC[NH+]1CCCC1)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623533	0	57	0.0	-74.65	465.04	2.55	-72.10
C[N@@H+]1CC2CC1(C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024623543	0	55	0.0	-75.61	448.76	2.02	-73.59
C[N@H+]1CC2CC1(C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024623543	1	55	0.0	-75.82	446.91	2.18	-73.64
CC(C[NH+](C)C)C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623577	0	56	0.0	-68.97	454.91	2.18	-66.79
CC(C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024623596	0	57	0.0	-71.66	467.06	2.49	-69.17
CC1CC[N@@H+]1CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623597	1	54	0.0	-71.14	442.50	1.64	-69.50
CC1CC[N@H+]1CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623597	1	54	0.0	-72.14	448.05	1.90	-70.24
C[NH+](C)[C@H]1C[C@H](C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623625	0	57	0.0	-74.78	466.44	2.54	-72.24
C[N@@H+]1CCCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623785	0	54	0.0	-72.30	436.72	1.37	-70.93
C[N@H+]1CCCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623785	1	54	0.0	-72.39	436.75	1.38	-71.01
C[N@@H+]1CCC(CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623952	0	57	0.0	-76.69	463.26	2.41	-74.28
C[N@H+]1CCC(CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024623952	1	57	0.0	-75.67	462.88	2.43	-73.24
CCC(C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024623955	0	56	0.0	-70.17	447.37	1.81	-68.36
CCC[N@H+](C)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623967	0	56	0.0	-73.22	455.95	2.23	-70.99
CCC[N@@H+](C)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024623967	1	56	0.0	-73.20	455.94	2.23	-70.97
C[NH+](C)CC1(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024624003	0	57	0.0	-75.28	468.52	2.59	-72.69
CC[N@H+](C)CCC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624008	0	56	0.0	-75.16	456.81	2.04	-73.12
CC[N@@H+](C)CCC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624008	1	56	0.0	-75.17	456.81	2.03	-73.14
C[NH+]1CCC(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024624030	0	57	0.0	-78.00	461.32	2.49	-75.51
C[NH+](C)C1(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024624062	0	57	0.0	-76.27	450.89	1.98	-74.29
CC1CCC[N@@H+]1CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624084	0	57	0.0	-69.85	455.43	2.21	-67.64
CC1CCC[N@H+]1CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624084	1	57	0.0	-70.41	461.87	2.59	-67.82
CC1CC[N@H+](CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024624101	0	57	0.0	-72.54	462.59	2.58	-69.96
CC1CC[N@@H+](CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024624101	1	57	0.0	-72.22	462.10	2.50	-69.72
CC[C@@H](C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024624103	0	56	0.0	-71.22	450.97	2.42	-68.80
CC1=[NH+]C=CN1CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624138	1	52	0.0	-70.28	446.15	2.43	-67.85
CC1=C[NH+]=CN1CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624156	1	52	0.0	-72.97	445.43	3.12	-69.85
C[C@@H]1[C@H](C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024624157	0	57	0.0	-77.00	453.26	1.79	-75.21
C[C@@H]1[C@H](C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024624157	1	57	0.0	-74.12	458.80	2.31	-71.81
C[N@H+](CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024624184	0	57	0.0	-71.11	462.93	2.80	-68.31
C[N@@H+](CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024624184	1	57	0.0	-71.37	462.84	2.79	-68.58
C[NH+]1CCC(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024624189	0	57	0.0	-78.00	461.32	2.49	-75.51
C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624201	0	54	0.0	-72.33	436.75	1.38	-70.95
C[N@H+]1CCC[C@@H]1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624201	1	54	0.0	-70.20	443.00	1.89	-68.31
C[N@@H+]1CCCCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624241	0	57	0.0	-70.78	449.36	2.24	-68.54
C[N@H+]1CCCCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624241	1	57	0.0	-70.77	449.37	2.24	-68.53
CC1C(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024624269	0	57	0.0	-72.68	457.88	2.05	-70.63
CC1C(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024624269	1	57	0.0	-72.58	457.92	2.02	-70.56
C[C@@H](C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024624306	0	53	0.0	-71.62	434.82	1.21	-70.41
O=C(CC[NH+]1CCCC1)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624323	0	57	0.0	-74.65	465.04	2.55	-72.10
C[N@H+](CCO)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624328	1	54	0.0	-73.80	444.80	-1.75	-75.55
C[N@@H+](CCO)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624328	1	54	0.0	-73.53	444.58	-1.75	-75.28
CC1C[NH+](CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024624366	1	54	0.0	-73.36	447.99	1.91	-71.45
CC[N@H+](C)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624395	0	53	0.0	-72.84	434.45	1.48	-71.36
CC[N@@H+](C)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624395	1	53	0.0	-72.81	434.45	1.49	-71.32
CC[N@H+](CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024624448	0	57	0.0	-69.34	461.96	2.62	-66.72
CC[N@@H+](CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024624448	1	57	0.0	-71.48	458.11	2.73	-68.75
C[N@@H+]1CC2CC1(C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024624460	0	55	0.0	-75.61	448.76	2.02	-73.59
C[N@H+]1CC2CC1(C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024624460	1	55	0.0	-75.82	446.91	2.18	-73.64
CC(C[NH+](C)C)C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624469	0	56	0.0	-68.97	454.91	2.18	-66.79
C[NH+](C)C1(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024624475	0	54	0.0	-76.67	439.15	2.52	-74.15
C[C@H](C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024624484	0	53	0.0	-71.68	434.88	1.22	-70.46
CC[N@@H+]1CCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624487	1	54	0.0	-70.92	441.52	1.55	-69.37
CC[N@H+]1CCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624487	1	54	0.0	-72.24	448.35	1.84	-70.40
NC1=CC=[NH+]C=C1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624497	0	50	0.0	-74.71	424.83	-0.70	-75.41
C[NH+](C)C(C)(C)C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624503	0	56	0.0	-75.94	444.17	1.99	-73.95
O=C(CSC1=NNC(=O)[N-]1)NCCCCCCNC(=O)C[NH+]1CC2CC2C1	REAL300024624564	0	55	0.0	-73.16	452.06	2.70	-70.46
C[N@@H+]1CCCCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624570	0	57	0.0	-70.78	449.36	2.24	-68.54
C[N@H+]1CCCCC1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624570	1	57	0.0	-70.77	449.37	2.24	-68.53
C[N@@H+]1CCC(=CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024624591	0	55	0.0	-77.46	455.56	2.37	-75.09
C[N@H+]1CCC(=CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024624591	1	55	0.0	-77.40	455.57	2.37	-75.03
[N-]=[N+]=NCC(=O)NCCCCCCNC(=O)CSC1=NC(=O)NN1	REAL300024624598	0	44	0.0	-25.04	393.68	-3.59	-28.63
CCC1C[NH+](CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024624612	1	57	0.0	-74.13	469.38	2.68	-71.45
C[N@@H+]1CCC[C@H]1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624617	0	54	0.0	-69.64	442.41	1.78	-67.86
C[N@H+]1CCC[C@H]1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624617	1	54	0.0	-72.29	436.68	1.37	-70.92
C[NH+](C)[C@H]1C[C@H](C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024624650	0	57	0.0	-74.78	466.44	2.54	-72.24
O=C(CSC1=NNC(=O)[N-]1)NCCCCCCNC(=O)C[NH+]1CCCCC1	REAL300024624688	0	57	0.0	-72.69	458.82	2.71	-69.98
C[N@@H+]1CCCC(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024624689	0	57	0.0	-67.61	455.08	2.64	-64.97
C[N@H+]1CCCC(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024624689	1	57	0.0	-67.63	455.04	2.64	-64.99
CN1C=C[N+](CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024624690	0	52	0.0	-71.34	447.95	4.33	-67.01
C[N@H+](CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024624700	0	54	0.0	-70.82	446.12	2.23	-68.59
C[N@@H+](CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024624700	1	54	0.0	-70.82	446.12	2.23	-68.59
C[NH+]1CC(CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024624749	0	54	0.0	-74.76	448.16	1.64	-73.12
C[NH+](C)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624755	0	50	0.0	-73.43	416.72	0.82	-72.61
C[C@@H](C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024624763	0	53	0.0	-71.62	434.82	1.21	-70.41
CC(C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024624777	0	57	0.0	-71.66	467.06	2.49	-69.17
CC1CC[N@@H+]1CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624778	1	54	0.0	-71.14	442.50	1.64	-69.50
CC1CC[N@H+]1CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624778	1	54	0.0	-72.14	448.05	1.90	-70.24
C[NH+](C)CC=CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624780	0	54	0.0	-78.29	453.94	2.07	-76.22
CC1(C)C[NH+](CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024624784	1	57	0.0	-73.50	467.32	2.44	-71.06
CC[NH+](CC)CC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624796	0	56	0.0	-71.36	452.82	2.18	-69.18
O=C(CSC1=NNC(=O)[N-]1)NCCCCCCNC(=O)C[NH+]1CCC1	REAL300024624801	1	51	0.0	-73.42	426.81	1.24	-72.18
CC(C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024624840	1	54	0.0	-71.63	446.72	1.75	-69.88
C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624861	0	57	0.0	-70.75	449.36	2.24	-68.51
C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624861	1	57	0.0	-69.89	458.68	2.41	-67.48
C=CCC(C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024624880	0	57	0.0	-69.69	460.39	2.30	-67.39
NC(=[NH2+])SCC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624901	0	48	0.0	-75.40	424.64	-2.23	-77.63
CCC1C[NH+](CC(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024624950	1	57	0.0	-74.13	469.38	2.68	-71.45
C[N@@H+]1CCC[C@H]1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624954	0	54	0.0	-69.64	442.41	1.78	-67.86
C[N@H+]1CCC[C@H]1C(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024624954	1	54	0.0	-72.29	436.68	1.37	-70.92
O=C(CSC1=NNC(=O)[N-]1)NCCCCCCNC(=O)C[NH+]1CCCCC1	REAL300024624960	0	57	0.0	-72.69	458.82	2.71	-69.98
CC1C(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024624964	0	57	0.0	-72.68	457.88	2.05	-70.63
CC1C(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024624964	1	57	0.0	-72.58	457.92	2.02	-70.56
C[N@@H+]1CCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625162	0	46	0.0	-70.99	372.63	0.59	-70.40
C[N@H+]1CCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625162	1	46	0.0	-70.12	371.52	0.59	-69.53
C[N@@H+]1CCOC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024625186	1	47	0.0	-82.05	386.39	0.41	-81.64
C[N@H+]1CCOC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024625186	1	47	0.0	-75.38	379.11	0.18	-75.20
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024625342	0	55	0.0	-67.39	416.35	2.44	-64.95
CC(C)[N@@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625344	0	55	0.0	-66.04	415.94	2.32	-63.72
CC(C)[N@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625344	1	55	0.0	-65.22	424.60	2.55	-62.67
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625364	0	52	0.0	-66.92	407.60	2.04	-64.88
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625364	1	52	0.0	-66.76	410.87	2.02	-64.74
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024625380	0	53	0.0	-70.57	417.98	2.63	-67.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024625380	1	53	0.0	-69.69	417.32	2.69	-67.00
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625398	1	50	0.0	-67.07	422.20	2.87	-64.20
CC1=[NH+]C=CN1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625423	1	44	0.0	-68.47	383.56	1.71	-66.76
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625424	0	53	0.0	-71.69	426.69	0.67	-71.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300024625439	0	55	0.0	-73.44	437.86	3.31	-70.13
CC(C)(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024625453	0	55	0.0	-68.00	411.93	2.87	-65.13
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024625461	0	50	0.0	-75.92	390.84	1.65	-74.27
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024625496	0	53	0.0	-67.74	406.39	2.21	-65.53
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024625496	1	53	0.0	-67.58	405.52	2.13	-65.45
C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024625506	0	49	0.0	-73.40	389.15	1.55	-71.85
C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024625506	1	49	0.0	-74.50	394.56	1.29	-73.21
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024625510	0	52	0.0	-73.55	406.00	1.60	-71.95
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024625510	1	52	0.0	-72.95	413.14	1.98	-70.97
CC[N@@H+]1CCOC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024625519	1	50	0.0	-73.04	396.47	0.84	-72.20
CC[N@H+]1CCOC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024625519	1	50	0.0	-73.29	396.78	0.87	-72.42
CC[NH+](CC)CC(F)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625558	0	51	0.0	-74.49	409.86	1.67	-72.82
CC1CCC(C)[NH+]1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625617	0	52	0.0	-67.79	411.09	2.14	-65.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024625623	0	52	0.0	-73.11	422.61	2.65	-70.46
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024625627	0	51	0.0	-76.70	422.86	2.82	-73.88
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024625628	0	52	0.0	-72.77	417.67	2.52	-70.25
CC[N@@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625632	0	52	0.0	-66.50	412.37	2.29	-64.21
CC[N@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625632	1	52	0.0	-66.97	411.21	2.28	-64.69
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024625644	0	55	0.0	-72.42	435.87	2.93	-69.49
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024625644	1	55	0.0	-72.14	433.89	2.83	-69.31
C[NH+](C)C1(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024625647	0	49	0.0	-71.90	382.10	1.28	-70.62
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625649	0	55	0.0	-64.91	424.76	2.25	-62.66
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625649	1	55	0.0	-66.24	423.12	2.17	-64.07
CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024625660	0	51	0.0	-68.65	393.77	1.49	-67.16
C[N@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024625697	0	49	0.0	-69.71	398.94	2.07	-67.64
C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024625697	1	49	0.0	-69.45	400.36	2.10	-67.35
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024625741	0	55	0.0	-66.43	421.59	2.39	-64.04
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625792	1	48	0.0	-67.76	399.35	1.78	-65.98
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625792	1	48	0.0	-70.37	405.89	2.30	-68.07
C[N@@H+]1CCCC1CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625797	0	52	0.0	-71.72	416.01	2.16	-69.56
C[N@H+]1CCCC1CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625797	1	52	0.0	-75.78	417.51	2.50	-73.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024625804	0	53	0.0	-72.39	400.60	1.74	-70.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024625807	0	53	0.0	-66.71	413.51	2.52	-64.19
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024625807	1	53	0.0	-67.79	413.56	2.51	-65.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300024625822	0	55	0.0	-73.53	444.14	3.43	-70.10
C[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024625833	0	49	0.0	-76.05	398.45	1.63	-74.42
C[NH+](C)CC1=CC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024625862	1	48	0.0	-82.76	409.09	1.23	-81.53
C[N@@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625886	0	49	0.0	-67.73	394.62	1.66	-66.07
C[N@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625886	1	49	0.0	-68.78	393.43	1.60	-67.18
CC(C)C[N@@H+]1CCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625905	0	55	0.0	-68.01	434.06	3.09	-64.92
CC(C)C[N@H+]1CCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625905	1	55	0.0	-69.06	424.07	3.32	-65.74
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024625990	0	44	0.0	-78.54	388.33	3.50	-75.04
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024625996	1	50	0.0	-70.32	424.98	3.05	-67.27
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024626000	1	50	0.0	-76.31	409.24	0.15	-76.16
CC1=C[NH+]=CN1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626025	1	44	0.0	-71.10	382.58	2.42	-68.68
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024626057	0	50	0.0	-67.03	389.97	1.49	-65.54
C[NH+](C)C1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626077	0	55	0.0	-72.94	432.04	2.78	-70.16
C[N@@H+]1CCC(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626079	0	49	0.0	-74.22	401.13	1.69	-72.53
C[N@H+]1CCC(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626079	1	49	0.0	-75.18	400.36	1.75	-73.43
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626090	0	48	0.0	-83.26	402.74	0.10	-83.16
CCC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024626095	0	48	0.0	-70.43	383.70	1.11	-69.32
C[NH+](C)C1(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024626105	0	55	0.0	-74.77	417.87	2.56	-72.21
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024626139	1	44	0.0	-80.76	388.42	3.53	-77.23
C[NH+](C)CCCCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626184	0	51	0.0	-74.80	418.18	2.25	-72.55
CC(C)C(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024626202	0	51	0.0	-69.98	396.95	1.90	-68.08
CCC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626204	0	51	0.0	-74.07	415.72	2.09	-71.98
CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626204	1	51	0.0	-74.66	414.41	2.08	-72.58
CCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626209	0	48	0.0	-71.78	393.20	1.53	-70.25
CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626209	1	48	0.0	-71.87	392.09	1.50	-70.37
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024626229	0	50	0.0	-77.26	385.58	0.94	-76.32
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024626229	1	50	0.0	-77.13	384.91	0.93	-76.20
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626261	0	46	0.0	-71.13	372.58	0.59	-70.54
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626261	1	46	0.0	-68.29	376.13	0.90	-67.39
CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626308	0	57	0.0	-73.15	457.69	3.87	-69.28
CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626308	1	57	0.0	-73.26	456.58	3.85	-69.41
CC[NH+](CC)C(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024626311	0	57	0.0	-68.27	426.74	3.12	-65.15
CC[NH+](CC)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626319	0	48	0.0	-69.89	385.55	1.20	-68.69
CCC[N@@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626350	0	55	0.0	-66.09	427.29	3.13	-62.96
CCC[N@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626350	1	55	0.0	-66.51	426.54	3.04	-63.47
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626364	1	53	0.0	-77.99	420.98	1.51	-76.48
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626364	1	53	0.0	-79.44	420.94	1.51	-77.93
CC1CC[NH+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024626391	0	52	0.0	-71.97	416.54	2.60	-69.37
C[NH+]1CCC(OCC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024626414	0	53	0.0	-78.36	434.06	2.26	-76.10
C[NH+](C)CC1(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024626424	0	49	0.0	-70.66	401.28	1.68	-68.98
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024626487	0	55	0.0	-73.47	430.89	2.80	-70.67
C[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024626503	0	49	0.0	-76.05	398.45	1.63	-74.42
CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024626521	0	51	0.0	-70.61	397.31	1.83	-68.78
CCC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024626551	0	54	0.0	-65.37	414.80	2.22	-63.15
CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626601	0	48	0.0	-73.86	392.91	1.34	-72.52
CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626601	1	48	0.0	-73.83	392.91	1.34	-72.49
CC1CCC[N@@H+]1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626650	0	49	0.0	-68.96	398.22	1.88	-67.08
CC1CCC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626650	1	49	0.0	-68.47	399.08	1.77	-66.70
CC1CC[N@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626652	0	49	0.0	-71.06	399.24	1.87	-69.19
CC1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626652	1	49	0.0	-70.97	400.00	1.84	-69.13
CC1(C)CC[N@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626656	0	52	0.0	-71.10	418.10	2.32	-68.78
CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626656	1	52	0.0	-70.55	419.24	2.34	-68.21
C[N@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024626657	0	54	0.0	-71.63	421.87	2.53	-69.10
C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024626657	1	54	0.0	-71.43	422.99	2.67	-68.76
CC[C@@H](C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024626665	0	48	0.0	-69.50	383.80	1.11	-68.39
C[NH+]1CCC(O)(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024626807	0	53	0.0	-74.15	423.05	0.46	-73.69
C[NH+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626818	0	42	0.0	-72.06	354.15	0.10	-71.96
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300024626822	0	53	0.0	-73.13	427.72	-0.70	-73.83
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024626823	0	52	0.0	-71.02	404.95	2.18	-68.84
CN1C=C[N+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024626827	0	44	0.0	-69.54	385.38	3.61	-65.93
C[N@@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626833	0	49	0.0	-66.25	387.82	1.74	-64.51
C[N@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626833	1	49	0.0	-72.83	398.49	1.60	-71.23
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024626838	0	50	0.0	-69.20	403.78	2.04	-67.16
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024626838	1	50	0.0	-66.07	403.65	2.33	-63.74
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024626862	0	46	0.0	-70.08	378.64	0.97	-69.11
CCC(CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024626866	0	54	0.0	-74.35	423.89	2.61	-71.74
C[NH+](C)CC(C)(C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626873	0	51	0.0	-69.02	390.39	1.25	-67.77
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024626888	0	51	0.0	-69.07	407.42	2.58	-66.49
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024626888	1	51	0.0	-69.99	406.27	3.46	-66.53
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024626896	1	50	0.0	-75.14	406.78	-1.37	-76.51
C[N@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024626897	0	46	0.0	-69.59	382.23	1.51	-68.08
C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024626897	1	46	0.0	-69.04	383.57	1.52	-67.52
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024626898	1	54	0.0	-71.45	419.47	-0.39	-71.84
C[NH+]1CC(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626916	0	46	0.0	-72.90	385.42	0.96	-71.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024626920	0	53	0.0	-69.31	418.73	2.52	-66.79
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024626920	1	53	0.0	-69.72	418.14	2.52	-67.20
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626928	0	52	0.0	-67.32	399.01	1.15	-66.17
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024626928	1	52	0.0	-68.37	393.93	1.02	-67.35
C[C@@H](C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024626939	0	45	0.0	-69.92	369.76	0.44	-69.48
[N-]=[N+]=NCC(=O)N1CC[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024626946	0	36	0.0	-26.85	330.96	-4.27	-31.12
CCC1CCC[N@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626971	0	55	0.0	-71.77	433.85	3.20	-68.57
CCC1CCC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024626971	1	55	0.0	-71.70	434.96	3.23	-68.47
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024626978	0	50	0.0	-88.48	415.16	1.46	-87.02
[NH2+]=C1SC=CN1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627020	0	42	0.0	-68.13	379.89	0.27	-67.86
C[N@H+](CCO)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627030	0	49	0.0	-73.69	403.27	-1.88	-75.57
C[N@@H+](CCO)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627030	1	49	0.0	-72.72	404.55	-1.90	-74.62
C[C@@H](C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024627031	0	45	0.0	-69.92	369.76	0.44	-69.48
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627035	0	49	0.0	-69.73	381.63	1.18	-68.55
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627035	1	49	0.0	-68.37	393.33	1.63	-66.74
CC1CN2CC[N@@H+]1CC2C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627043	0	52	0.0	-77.62	401.37	-1.34	-78.96
CC1CN2CC[N@H+]1CC2C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627043	1	52	0.0	-76.20	402.77	-1.24	-77.44
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024627105	1	43	0.0	-71.87	364.24	0.52	-71.35
C[N@@H+]1CCC(=CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627130	0	47	0.0	-79.31	392.16	1.64	-77.67
C[N@H+]1CCC(=CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627130	1	47	0.0	-79.56	391.14	1.68	-77.88
C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627161	0	49	0.0	-76.20	409.03	1.23	-74.97
CCCCC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627166	0	57	0.0	-75.17	458.72	3.65	-71.52
CCCCC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627166	1	57	0.0	-75.65	457.41	3.64	-72.01
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024627175	0	53	0.0	-73.08	428.90	1.95	-71.13
C=CCC(C)(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024627182	0	52	0.0	-64.89	399.45	1.60	-63.29
C[S+](C)CCC(O)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627186	0	48	0.0	-76.17	413.95	-0.43	-76.60
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627211	0	50	0.0	-69.55	394.12	-2.41	-71.96
CN1CC[N@H+](C)CC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627221	0	54	0.0	-70.57	424.52	0.02	-70.55
CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627221	1	54	0.0	-70.57	424.52	0.02	-70.55
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024627222	0	53	0.0	-68.55	422.31	-1.03	-69.58
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627239	0	53	0.0	-68.15	422.77	0.47	-67.68
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627239	1	53	0.0	-68.15	422.77	0.47	-67.68
CC1CN(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627242	0	46	0.0	-72.41	382.97	1.26	-71.15
CC1C[NH+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627242	1	46	0.0	-72.41	382.97	1.26	-71.15
CN(CCO)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627265	0	46	0.0	-72.40	380.94	-2.47	-74.87
C[N@H+](CCO)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627265	1	46	0.0	-72.26	381.85	-2.45	-74.71
C[N@@H+](CCO)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627265	1	46	0.0	-72.26	381.85	-2.45	-74.71
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024627286	0	52	0.0	-76.16	400.58	-0.66	-76.82
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024627286	1	52	0.0	-76.16	400.58	-0.66	-76.82
CC[N@@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627291	0	52	0.0	-71.62	414.28	2.24	-69.38
CC[N@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627291	1	52	0.0	-71.62	414.28	2.24	-69.38
CC(CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024627293	0	51	0.0	-74.07	410.06	2.12	-71.95
CC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627300	0	45	0.0	-71.21	371.88	0.77	-70.44
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024627319	0	53	0.0	-66.61	400.75	1.94	-64.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024627319	1	53	0.0	-66.61	400.75	1.94	-64.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024627324	0	51	0.0	-65.98	394.22	1.68	-64.30
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024627324	1	51	0.0	-65.98	394.22	1.68	-64.30
CC[N@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024627343	0	49	0.0	-68.94	398.99	2.11	-66.83
CC[NH+](CC)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627356	0	51	0.0	-73.23	406.41	1.76	-71.47
CC1(C)CN(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627376	0	49	0.0	-71.89	403.48	1.71	-70.18
CC1(C)C[NH+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627376	1	49	0.0	-71.89	403.48	1.71	-70.18
CC1(O)CC[N@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627400	0	50	0.0	-70.69	409.90	-1.47	-72.16
C[NH+](C)CC=CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627407	0	46	0.0	-80.64	390.53	1.35	-79.29
CC(OCC[NH+](C)C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627425	0	52	0.0	-72.62	425.00	1.68	-70.94
C[NH+](C)CCOCCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627432	0	52	0.0	-72.31	429.66	0.91	-71.40
COCCN(C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627433	0	49	0.0	-72.15	404.10	-0.04	-72.19
COCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627433	1	49	0.0	-72.59	403.19	-0.07	-72.66
COCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627433	1	49	0.0	-72.59	403.19	-0.07	-72.66
C[NH+](C)C1(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024627460	0	52	0.0	-69.09	387.76	1.27	-67.82
CC(CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024627463	0	51	0.0	-76.24	407.31	1.88	-74.36
CCN1CCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627469	0	46	0.0	-71.20	385.56	1.07	-70.13
CC[N@@H+]1CCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627469	1	46	0.0	-69.13	376.32	0.70	-68.43
CC[N@H+]1CCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627469	1	46	0.0	-69.13	376.32	0.70	-68.43
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627477	0	55	0.0	-70.29	432.79	2.79	-67.50
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024627477	1	55	0.0	-70.29	432.79	2.79	-67.50
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024627488	0	50	0.0	-70.46	403.75	-1.85	-72.31
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024627510	0	53	0.0	-69.69	417.32	2.69	-67.00
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024627510	1	53	0.0	-69.69	417.32	2.69	-67.00
C[NH+]1CCC(C)(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024627516	0	52	0.0	-71.12	400.72	1.60	-69.52
C[NH+](C)CC1=CNC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024627522	0	50	0.0	-81.71	414.96	1.49	-80.22
C=CCC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024627542	0	49	0.0	-69.24	395.88	1.55	-67.69
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627552	0	52	0.0	-69.35	411.95	1.66	-67.69
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627552	1	52	0.0	-69.35	411.95	1.66	-67.69
C[NH+](C)CCCCCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627555	0	54	0.0	-73.95	439.68	3.04	-70.91
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024627563	0	47	0.0	-71.64	389.43	2.01	-69.63
CC1C[N@@H+]2CCN1C(C(=O)N1CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024627588	0	52	0.0	-79.17	402.84	-1.17	-80.34
CCCC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024627589	0	51	0.0	-68.82	403.23	1.77	-67.05
C[NH+](C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627593	0	48	0.0	-73.60	371.83	1.12	-72.48
C[N@@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627627	0	49	0.0	-68.78	393.43	1.60	-67.18
C[N@H+]1CC=C(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024627659	0	50	0.0	-69.79	413.27	2.44	-67.35
C[N@@H+]1CC=C(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024627659	1	50	0.0	-69.79	413.27	2.44	-67.35
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300024627667	0	53	0.0	-68.93	417.95	2.87	-66.06
CN(C)CC1=CC=C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024627706	0	49	0.0	-85.19	413.63	1.88	-83.31
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024627706	1	49	0.0	-85.19	413.63	1.88	-83.31
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024627720	0	50	0.0	-79.24	415.56	2.52	-76.72
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024627739	0	53	0.0	-73.29	422.36	2.84	-70.45
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024627759	0	49	0.0	-73.17	402.29	1.87	-71.30
C[N@@H+]1CC2CC1(C(=O)N1CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024627801	0	47	0.0	-72.39	377.33	1.27	-71.12
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024627812	0	50	0.0	-68.80	396.76	1.99	-66.81
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024627812	1	50	0.0	-68.80	396.76	1.99	-66.81
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300024627849	0	51	0.0	-70.41	408.73	2.51	-67.90
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300024627859	0	48	0.0	-68.07	393.02	1.98	-66.09
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024627859	1	48	0.0	-68.23	391.80	1.95	-66.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024627859	1	48	0.0	-68.23	391.80	1.95	-66.28
CC(C[NH+](C)C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627901	0	48	0.0	-73.00	389.97	1.10	-71.90
C[N@@H+]1CCCCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627964	0	52	0.0	-65.69	404.61	2.18	-63.51
C[N@H+]1CCCCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627964	1	52	0.0	-65.69	404.61	2.18	-63.51
CC1CCN1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627981	0	46	0.0	-70.82	384.13	1.17	-69.65
CC1CC[N@@H+]1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627981	1	46	0.0	-69.25	379.92	0.91	-68.34
CC1CC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627981	1	46	0.0	-69.25	379.92	0.91	-68.34
C[NH+](C)CC(O)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024627984	0	49	0.0	-77.01	406.74	-0.82	-77.83
CC1CN(C)CC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024628008	0	50	0.0	-74.47	399.79	0.93	-73.54
CC1C[N@H+](C)CC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024628008	1	50	0.0	-83.95	407.90	1.14	-82.81
CC1C[N@@H+](C)CC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024628008	1	50	0.0	-83.95	407.90	1.14	-82.81
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300024628016	0	53	0.0	-76.77	429.06	-0.78	-77.55
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628018	0	55	0.0	-67.43	432.71	3.03	-64.40
CCC[N@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628018	1	55	0.0	-67.43	432.71	3.03	-64.40
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024628078	0	49	0.0	-73.97	403.47	1.85	-72.12
CC(CC[NH+](C)C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628085	0	51	0.0	-74.97	414.65	1.84	-73.13
C[N@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024628103	0	53	0.0	-69.75	423.47	-0.52	-70.27
C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024628103	1	53	0.0	-69.75	423.47	-0.52	-70.27
C#CCN1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628108	0	51	0.0	-68.40	418.68	2.80	-65.60
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628108	1	51	0.0	-69.01	406.78	2.38	-66.63
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628108	1	51	0.0	-69.01	406.78	2.38	-66.63
CN1CCN(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024628111	0	51	0.0	-72.29	412.99	-0.39	-72.68
C[NH+]1CCN(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024628111	1	51	0.0	-72.29	412.99	-0.39	-72.68
C[N@@H+]1CCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628289	0	46	0.0	-75.02	374.00	0.72	-74.30
C[N@H+]1CCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628289	1	46	0.0	-72.76	373.96	0.72	-72.04
C[N@@H+]1CCOC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024628315	1	47	0.0	-85.56	390.57	0.61	-84.95
C[N@H+]1CCOC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024628315	1	47	0.0	-81.11	384.26	0.45	-80.66
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628472	1	50	0.0	-71.67	424.17	3.05	-68.62
O=C(CC[NH+]1CCOCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628476	1	50	0.0	-77.54	408.45	0.16	-77.38
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024628496	0	50	0.0	-75.78	397.76	2.13	-73.65
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024628504	1	44	0.0	-78.45	383.48	3.67	-74.78
C[NH+](C)C1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024628552	0	55	0.0	-68.25	426.32	2.83	-65.42
C[N@@H+]1CCC(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024628554	0	49	0.0	-75.54	399.71	1.76	-73.78
C[N@H+]1CCC(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024628554	1	49	0.0	-76.64	399.56	1.75	-74.89
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628565	0	48	0.0	-80.68	403.83	0.95	-79.73
CCC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024628570	0	48	0.0	-72.97	384.70	1.12	-71.85
C[NH+](C)CCCCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628622	0	51	0.0	-76.00	418.55	2.30	-73.70
CC(C)C(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024628642	0	51	0.0	-71.66	401.41	2.39	-69.27
CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628644	0	51	0.0	-77.16	415.64	2.13	-75.03
CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628644	1	51	0.0	-77.25	415.63	2.12	-75.13
CCC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628649	0	48	0.0	-74.92	393.22	1.59	-73.33
CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628649	1	48	0.0	-74.86	393.22	1.58	-73.28
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024628669	0	50	0.0	-76.36	396.07	1.35	-75.01
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024628669	1	50	0.0	-73.84	395.10	1.36	-72.48
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628692	0	57	0.0	-76.25	457.72	3.94	-72.31
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628692	1	57	0.0	-76.14	457.71	3.93	-72.21
CC[NH+](CC)C(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024628695	0	57	0.0	-71.68	434.73	3.20	-68.48
CC1CC[NH+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024628724	0	52	0.0	-73.96	415.75	2.64	-71.32
C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024628747	0	53	0.0	-81.84	433.91	2.26	-79.58
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024628786	0	53	0.0	-75.79	420.72	2.90	-72.89
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024628786	1	53	0.0	-72.20	421.31	2.92	-69.28
C[NH+](C)CC1(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024628795	0	49	0.0	-78.51	404.92	1.94	-76.57
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024628805	0	55	0.0	-73.77	428.27	2.77	-71.00
CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628821	0	48	0.0	-76.37	394.14	1.39	-74.98
CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024628821	1	48	0.0	-76.45	394.14	1.38	-75.07
CC(C)(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024628842	0	55	0.0	-75.47	423.34	3.13	-72.34
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024628850	0	50	0.0	-80.95	394.46	1.93	-79.02
C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024628913	0	49	0.0	-78.34	397.76	1.81	-76.53
CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024628931	0	51	0.0	-72.77	397.60	1.71	-71.06
CC[NH+](CC)CC(F)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629014	0	51	0.0	-72.98	416.49	2.17	-70.81
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024629042	0	55	0.0	-73.54	437.61	3.14	-70.40
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024629042	1	55	0.0	-73.77	438.28	3.16	-70.61
C[NH+](C)C1(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024629045	0	49	0.0	-68.73	387.37	1.63	-67.10
CCC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024629075	0	54	0.0	-68.51	416.58	2.20	-66.31
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629092	0	49	0.0	-71.02	398.42	1.94	-69.08
CC1CCC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629092	1	49	0.0	-70.12	391.82	1.53	-68.59
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024629140	0	55	0.0	-70.17	423.24	2.57	-67.60
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629142	0	55	0.0	-68.24	427.13	2.67	-65.57
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629142	1	55	0.0	-68.96	420.95	2.73	-66.23
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629162	0	52	0.0	-70.00	412.94	2.27	-67.73
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629162	1	52	0.0	-67.95	411.39	2.19	-65.76
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629168	0	55	0.0	-71.83	431.08	2.80	-69.03
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629168	1	55	0.0	-71.68	431.31	2.80	-68.88
CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024629179	0	51	0.0	-71.66	401.41	2.39	-69.27
CC1CC[N@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024629197	0	49	0.0	-74.30	400.11	1.92	-72.38
CC1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024629197	1	49	0.0	-74.33	400.35	1.90	-72.43
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024629201	0	52	0.0	-72.68	418.20	2.41	-70.27
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024629201	1	52	0.0	-74.15	418.87	2.42	-71.73
C[N@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024629202	0	54	0.0	-73.40	422.73	2.65	-70.75
C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024629202	1	54	0.0	-74.54	424.13	2.75	-71.79
CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024629210	0	48	0.0	-70.82	384.23	1.20	-69.62
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629380	1	44	0.0	-71.67	383.40	1.78	-69.89
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629381	0	53	0.0	-77.03	425.29	0.89	-76.14
O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629396	0	55	0.0	-75.86	439.62	3.38	-72.48
C[NH+](C)CC1=CC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024629408	1	48	0.0	-81.21	411.23	1.12	-80.09
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629437	1	50	0.0	-70.08	419.64	2.91	-67.17
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024629465	0	53	0.0	-68.28	418.23	3.00	-65.28
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024629465	1	53	0.0	-66.30	417.75	2.99	-63.31
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024629479	1	50	0.0	-86.05	409.24	1.25	-84.80
CC[N@H+]1CCOC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024629479	1	50	0.0	-79.05	401.23	1.09	-77.96
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024629519	0	44	0.0	-74.38	383.34	3.66	-70.72
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629524	1	44	0.0	-73.49	383.87	2.49	-71.00
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024629533	0	49	0.0	-75.41	391.53	1.38	-74.03
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024629533	1	49	0.0	-74.59	396.04	1.40	-73.19
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024629537	0	52	0.0	-75.49	410.69	1.88	-73.61
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024629537	1	52	0.0	-73.14	415.37	2.17	-70.97
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629548	0	52	0.0	-71.05	411.15	2.06	-68.99
O=C(CCC[NH+]1CCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629554	0	52	0.0	-75.50	423.84	2.70	-72.80
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024629559	0	51	0.0	-78.78	422.93	3.02	-75.76
O=C(CC[NH+]1CCCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629560	0	52	0.0	-74.25	417.17	2.58	-71.67
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629565	0	52	0.0	-67.83	412.83	2.40	-65.43
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629565	1	52	0.0	-70.12	412.96	2.40	-67.72
C[NH+](C)C1(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024629598	0	55	0.0	-76.37	417.03	2.59	-73.78
C[N@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024629719	0	49	0.0	-72.78	400.09	2.16	-70.62
C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024629719	1	49	0.0	-72.80	400.10	2.15	-70.65
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024629736	0	55	0.0	-69.51	426.08	2.49	-67.02
O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629748	0	55	0.0	-76.11	445.37	3.48	-72.63
C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024629759	0	49	0.0	-78.34	397.76	1.81	-76.53
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629794	0	46	0.0	-73.89	373.09	0.69	-73.20
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629794	1	46	0.0	-70.48	378.14	1.22	-69.26
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629815	1	48	0.0	-70.00	399.76	1.93	-68.07
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629815	1	48	0.0	-70.36	405.57	2.44	-67.92
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629820	0	52	0.0	-73.09	414.99	2.18	-70.91
C[N@H+]1CCCC1CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629820	1	52	0.0	-73.91	416.05	2.18	-71.73
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024629827	0	53	0.0	-74.68	411.37	2.37	-72.31
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024629830	0	53	0.0	-69.70	421.98	3.13	-66.57
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024629830	1	53	0.0	-67.90	421.02	3.10	-64.80
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024629892	0	55	0.0	-67.93	430.64	3.38	-64.55
CCC[N@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024629892	1	55	0.0	-72.58	436.86	3.19	-69.39
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024629906	1	53	0.0	-70.75	417.85	1.60	-69.15
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024629906	1	53	0.0	-81.83	425.93	1.78	-80.05
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629927	0	49	0.0	-73.00	386.77	1.58	-71.42
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629927	1	49	0.0	-71.75	386.63	1.59	-70.16
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629947	0	55	0.0	-73.60	432.92	2.82	-70.78
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629947	1	55	0.0	-71.82	438.63	3.37	-68.45
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024629960	1	53	0.0	-77.10	426.59	-0.67	-77.77
CC1C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024630001	0	49	0.0	-75.43	391.52	1.38	-74.05
CC1C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024630001	1	49	0.0	-74.46	395.17	1.39	-73.07
C[N@@H+]1CCCCC1CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630003	0	55	0.0	-73.42	435.06	3.09	-70.33
C[N@H+]1CCCCC1CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630003	1	55	0.0	-73.84	435.50	3.08	-70.76
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630081	0	52	0.0	-70.43	414.69	1.85	-68.58
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630081	1	52	0.0	-71.02	415.55	1.92	-69.10
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024630099	0	45	0.0	-70.97	371.28	0.56	-70.41
C=CCC(C)(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024630113	0	52	0.0	-68.00	409.52	2.19	-65.81
O=C(CC[NH+]1CCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630133	0	49	0.0	-74.56	400.47	1.81	-72.75
C[N@H+](CCO)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630143	1	46	0.0	-75.19	382.07	-2.39	-77.58
C[N@@H+](CCO)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630143	1	46	0.0	-75.56	381.86	-2.40	-77.96
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024630176	0	52	0.0	-80.00	400.02	-0.04	-80.04
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024630176	1	52	0.0	-76.30	401.16	-0.53	-76.83
C[N@H+]1CC=C(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024630222	0	50	0.0	-73.06	413.12	2.51	-70.55
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024630222	1	50	0.0	-71.21	413.12	2.51	-68.70
C[S+](C)CCC(O)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630236	0	48	0.0	-76.06	417.90	-0.21	-76.27
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630254	0	50	0.0	-80.07	401.53	-1.75	-81.82
C[N@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630254	1	50	0.0	-79.93	399.62	-1.68	-81.61
CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024630264	0	54	0.0	-71.30	423.17	0.32	-70.98
CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024630264	1	54	0.0	-72.59	423.90	0.32	-72.27
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024630265	0	53	0.0	-72.83	422.18	-0.74	-73.57
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300024630265	1	53	0.0	-72.04	422.03	-0.72	-72.76
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024630293	0	53	0.0	-74.00	421.46	0.60	-73.40
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024630293	1	53	0.0	-70.91	424.42	0.50	-70.41
CC1C[NH+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024630297	1	46	0.0	-75.57	384.37	1.34	-74.23
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024630303	0	52	0.0	-72.49	415.37	2.44	-70.05
CC[N@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024630303	1	52	0.0	-72.04	415.43	2.44	-69.60
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024630319	0	50	0.0	-69.89	411.42	2.70	-67.19
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024630319	1	50	0.0	-68.29	405.63	2.51	-65.78
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630354	0	50	0.0	-76.08	415.47	2.58	-73.50
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024630372	0	53	0.0	-75.58	420.46	2.93	-72.65
CC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630410	0	45	0.0	-72.98	370.77	0.83	-72.15
O=C(CN1CC2C=CC1C2)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630455	0	48	0.0	-70.28	392.26	2.03	-68.25
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630455	1	48	0.0	-71.76	392.25	2.13	-69.63
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630455	1	48	0.0	-71.76	392.25	2.13	-69.63
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024630561	0	53	0.0	-70.26	409.44	2.75	-67.51
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024630561	1	53	0.0	-70.26	409.44	2.75	-67.51
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024630567	0	51	0.0	-72.55	400.72	2.66	-69.89
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024630567	1	51	0.0	-72.55	400.72	2.66	-69.89
CC(OCC[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630576	0	52	0.0	-73.70	429.66	1.91	-71.79
C[NH+](C)CCOCCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630584	0	52	0.0	-75.02	430.87	0.96	-74.06
COCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630586	0	49	0.0	-75.49	404.11	0.01	-75.48
COCC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630586	1	49	0.0	-73.77	403.38	-0.01	-73.78
COCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630586	1	49	0.0	-73.77	403.38	-0.01	-73.78
CC(CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024630591	0	51	0.0	-74.58	411.40	1.88	-72.70
CC[N@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024630613	0	49	0.0	-72.06	400.04	2.19	-69.87
CC1C[N@@H+]2CCN1C(C(=O)N[C@@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024630628	0	52	0.0	-82.37	405.96	-0.78	-83.15
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024630650	0	47	0.0	-77.88	384.89	1.28	-76.60
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630663	0	50	0.0	-70.41	397.33	2.07	-68.34
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630663	1	50	0.0	-70.41	397.33	2.07	-68.34
CC(C[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630682	0	48	0.0	-76.33	392.56	1.42	-74.91
CCN1CCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630726	0	46	0.0	-72.73	378.84	0.90	-71.83
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630726	1	46	0.0	-72.26	378.60	0.82	-71.44
CC[N@H+]1CCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630726	1	46	0.0	-72.26	378.60	0.82	-71.44
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024630736	0	55	0.0	-65.49	425.74	3.16	-62.33
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024630736	1	55	0.0	-65.49	425.74	3.16	-62.33
CCC(C)(C)[NH2+]C(C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630748	0	54	0.0	-71.03	418.78	0.79	-70.24
C#CCN1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630787	0	51	0.0	-71.33	420.46	2.95	-68.38
C#CC[N@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630787	1	51	0.0	-71.50	410.90	2.78	-68.72
C#CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630787	1	51	0.0	-71.50	410.90	2.78	-68.72
CCCC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024630798	0	51	0.0	-74.88	408.10	2.09	-72.79
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630805	0	48	0.0	-79.54	381.46	1.33	-78.21
CC(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630823	0	51	0.0	-75.61	414.02	2.06	-73.55
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024630880	0	51	0.0	-73.62	408.77	3.45	-70.17
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630909	0	52	0.0	-72.10	414.33	1.78	-70.32
C[NH+](C)CCCCCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630912	0	54	0.0	-76.81	440.97	3.07	-73.74
O=C(CC[NH+]1CCC(O)CC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630916	0	53	0.0	-77.91	427.80	-0.79	-78.70
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630920	0	55	0.0	-70.49	434.46	3.15	-67.34
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024630920	1	55	0.0	-70.49	434.46	3.15	-67.34
CN1CCN(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024630929	0	51	0.0	-72.74	412.20	-0.34	-73.08
C[NH+]1CCN(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024630929	1	51	0.0	-72.74	412.20	-0.34	-73.08
CC1CN(C)CC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024631011	0	50	0.0	-81.55	404.88	1.32	-80.23
CC1C[N@H+](C)CC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024631011	1	50	0.0	-86.95	405.31	0.92	-86.03
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024631011	1	50	0.0	-86.95	405.31	0.92	-86.03
CCC1CCC[N@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024631040	0	55	0.0	-72.58	426.68	2.83	-69.75
CCC1CCC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024631040	1	55	0.0	-72.58	426.68	2.83	-69.75
O=C(CC1([NH+]2CCCC2)CC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631072	0	53	0.0	-70.75	419.30	2.90	-67.85
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631105	0	49	0.0	-71.75	386.63	1.59	-70.16
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024631204	0	47	0.0	-76.70	390.94	1.71	-74.99
C[N@H+]1CCC(=CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024631204	1	47	0.0	-76.77	391.08	1.72	-75.05
O=C(CNC1=CC=[NH+]C=C1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631209	0	45	0.0	-74.95	389.71	-0.56	-75.51
[N-]=[N+]=NCC(=O)N[C@@H]1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024631253	0	36	0.0	-25.35	330.09	-4.25	-29.60
CC[NH+]1CCN(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024631260	0	54	0.0	-71.82	429.44	0.30	-71.52
O=C(C=C1C[NH+]2CCC1CC2)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631263	0	51	0.0	-69.41	409.49	2.55	-66.86
C[NH+](C)C1(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024631296	0	52	0.0	-77.07	406.43	2.62	-74.45
C[N@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024631304	0	53	0.0	-70.96	424.17	-0.64	-71.60
C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024631304	1	53	0.0	-72.36	424.15	-0.63	-72.99
CCC1C[NH+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024631307	1	49	0.0	-74.41	405.36	2.00	-72.41
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024631310	0	53	0.0	-67.62	415.44	2.93	-64.69
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631322	0	46	0.0	-71.45	379.95	1.18	-70.27
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631322	1	46	0.0	-72.96	374.14	0.69	-72.27
CC[N@@H+]1CCOCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631344	0	53	0.0	-76.80	420.99	0.64	-76.16
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024631448	0	49	0.0	-76.59	403.65	1.88	-74.71
C[NH+](C)C1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024631459	0	55	0.0	-78.41	432.00	2.97	-75.44
C[NH+](C)CCC1(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024631460	0	52	0.0	-80.64	427.29	2.81	-77.83
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024631461	0	55	0.0	-67.78	426.30	2.83	-64.95
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631462	0	50	0.0	-69.35	400.18	2.18	-67.17
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631462	1	50	0.0	-69.35	400.18	2.18	-67.17
C[NH+](C)CCOCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631514	0	49	0.0	-75.11	409.86	1.23	-73.88
CCCCC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631519	0	57	0.0	-78.25	458.63	3.69	-74.56
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631519	1	57	0.0	-78.25	458.63	3.69	-74.56
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024631530	0	53	0.0	-75.45	432.84	2.11	-73.34
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631553	0	42	0.0	-71.54	381.06	0.35	-71.19
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631618	0	52	0.0	-73.60	429.64	1.91	-71.69
O=C(CC[NH+]1CCCCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631649	0	55	0.0	-75.96	427.19	2.78	-73.18
O=C(C[NH+]1CCCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631652	0	49	0.0	-73.08	394.91	2.03	-71.05
C[N@@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024631654	0	49	0.0	-74.16	397.70	1.79	-72.37
C[N@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024631654	1	49	0.0	-66.38	391.33	1.98	-64.40
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631655	1	53	0.0	-77.10	426.59	-0.67	-77.77
O=C(C[NH+]1CCCCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631656	0	52	0.0	-75.21	407.34	2.54	-72.67
CN1C=C[N+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024631661	0	44	0.0	-72.12	385.34	3.66	-68.46
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024631676	1	49	0.0	-81.35	417.70	1.96	-79.39
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631691	1	50	0.0	-77.01	406.01	-1.32	-78.33
C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024631695	1	46	0.0	-70.99	382.58	1.56	-69.43
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024631697	1	54	0.0	-71.75	424.11	-0.03	-71.78
O=C(CC[N@@H+]1CCC(F)C1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631699	1	49	0.0	-79.21	407.20	1.92	-77.29
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024631708	1	53	0.0	-78.32	420.11	1.14	-77.18
CCOCC(N=[N+]=[N-])C(=O)N[C@@H]1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024631716	0	46	0.0	-24.84	404.99	-3.37	-28.21
CC(CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024631724	0	51	0.0	-76.23	411.29	2.19	-74.04
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024631736	0	51	0.0	-71.72	408.17	0.43	-71.29
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024631736	1	51	0.0	-71.35	409.11	0.50	-70.85
CN1CCOCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631753	0	50	0.0	-81.28	404.63	-0.01	-81.29
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631753	1	50	0.0	-80.06	403.80	-0.03	-80.09
C[N@H+]1CCOCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631753	1	50	0.0	-81.28	404.63	-0.01	-81.29
CC[NH+]1CCN(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024631761	0	54	0.0	-71.82	429.44	0.30	-71.52
CC1(O)CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024631850	1	50	0.0	-73.38	409.57	-1.44	-74.82
C[NH+]1CC(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024631882	0	46	0.0	-75.03	385.54	0.97	-74.06
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024631886	1	53	0.0	-71.85	418.41	2.59	-69.26
C[NH+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631894	0	42	0.0	-75.17	353.99	0.17	-75.00
C[N@H+](CCO)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631920	0	49	0.0	-76.47	404.49	-1.84	-78.31
C[N@@H+](CCO)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631920	1	49	0.0	-75.60	404.47	-1.86	-77.46
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024631921	0	45	0.0	-70.97	371.28	0.56	-70.41
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631938	0	52	0.0	-76.30	412.41	2.34	-73.96
C[N@H+]1CCCCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631938	1	52	0.0	-68.87	405.74	2.23	-66.64
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024631955	1	49	0.0	-72.55	401.54	1.88	-70.67
CC1CCN1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631959	0	46	0.0	-71.09	378.89	0.97	-70.12
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631959	1	46	0.0	-71.28	378.83	0.98	-70.30
CC1CC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631959	1	46	0.0	-71.09	378.89	0.97	-70.12
C[NH+](C)CC=CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024631970	0	46	0.0	-76.83	389.00	1.37	-75.46
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024631996	1	50	0.0	-69.00	423.41	1.45	-67.55
C[NH+](C)CCSCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632013	0	49	0.0	-80.88	420.89	2.10	-78.78
O=C(C[N@@H+]1CCCC1CO)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632036	1	50	0.0	-74.24	408.20	-1.36	-75.60
CC[NH+](CC)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632040	0	48	0.0	-73.33	390.08	1.53	-71.80
O=C(C[NH+]1CCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632051	1	43	0.0	-73.51	363.48	0.63	-72.88
CC[NH+](CC)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632091	0	51	0.0	-76.03	407.71	1.79	-74.24
C[NH+](C)CC1=CNC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024632148	0	50	0.0	-78.71	419.56	1.42	-77.29
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024632165	0	53	0.0	-72.91	416.40	-1.01	-73.92
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024632169	0	51	0.0	-71.90	411.67	0.52	-71.38
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024632169	1	51	0.0	-74.49	412.39	0.53	-73.96
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024632180	1	46	0.0	-72.56	383.16	1.08	-71.48
CCC(CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024632185	0	54	0.0	-69.97	429.23	2.79	-67.18
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632193	0	51	0.0	-69.82	401.28	1.90	-67.92
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632245	0	49	0.0	-71.96	385.79	1.58	-70.38
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632245	1	49	0.0	-71.23	395.08	1.75	-69.48
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632259	0	52	0.0	-74.34	406.01	-0.86	-75.20
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632259	1	52	0.0	-79.00	405.88	-0.86	-79.86
C[NH+](C)CC(O)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632279	0	49	0.0	-80.01	406.59	-0.80	-80.81
C[NH+]1C2CCC1CC(C(=O)N[C@@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024632281	0	53	0.0	-75.33	396.94	2.64	-72.69
C=CCC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024632311	0	49	0.0	-70.46	397.66	1.67	-68.79
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024632318	0	53	0.0	-75.79	420.72	2.90	-72.89
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024632318	1	53	0.0	-72.20	421.31	2.92	-69.28
C[NH+]1CCC(C)(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024632329	0	52	0.0	-75.26	411.30	2.24	-73.02
C[NH+]1CCC(O)(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024632331	0	53	0.0	-76.10	423.71	0.45	-75.65
NC(=[NH2+])SCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632355	0	40	0.0	-78.00	361.93	-2.89	-80.89
CC[N@@H+]1CCOCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632382	0	53	0.0	-73.93	417.75	0.45	-73.48
C[NH+](C)C1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024632395	0	55	0.0	-65.91	423.24	2.77	-63.14
C[NH+](C)CCC1(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024632396	0	52	0.0	-76.88	424.70	2.50	-74.38
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024632397	0	55	0.0	-68.53	420.76	2.50	-66.03
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632398	0	50	0.0	-75.05	405.13	2.20	-72.85
C[N@H+]1CC=CCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632398	1	50	0.0	-75.05	405.13	2.20	-72.85
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632419	0	52	0.0	-70.58	423.95	1.64	-68.94
C[NH+]1C2CCC1CC(C(=O)N1CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024632443	0	53	0.0	-71.99	413.59	2.22	-69.77
CCC1C[NH+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024632535	0	49	0.0	-72.89	405.50	1.96	-70.93
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024632537	0	53	0.0	-70.00	405.24	2.50	-67.50
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632544	0	46	0.0	-68.70	375.47	0.94	-67.76
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632544	1	46	0.0	-70.07	371.57	0.59	-69.48
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300024632551	1	49	0.0	-77.79	408.72	1.93	-75.86
COC1C[N@@H+](C)C(C)(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024632559	1	53	0.0	-74.68	413.96	0.21	-74.47
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300024632566	0	55	0.0	-75.14	427.00	2.78	-72.36
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024632568	0	49	0.0	-71.15	395.70	1.98	-69.17
CC1C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024632577	0	49	0.0	-71.15	394.54	1.44	-69.71
CC1C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024632577	1	49	0.0	-72.48	393.42	1.68	-70.80
C[N@@H+]1CCCCC1CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632579	0	55	0.0	-75.71	426.78	2.84	-72.87
C[N@H+]1CCCCC1CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632579	1	55	0.0	-75.10	426.84	2.84	-72.26
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024632601	0	51	0.0	-69.31	404.48	0.24	-69.07
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024632601	1	51	0.0	-75.60	409.12	0.23	-75.37
CN1CCOCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632618	0	50	0.0	-69.04	397.26	-0.21	-69.25
C[N@@H+]1CCOCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632618	1	50	0.0	-67.61	397.10	-0.19	-67.80
C[N@H+]1CCOCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632618	1	50	0.0	-69.04	397.26	-0.21	-69.25
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024632625	1	50	0.0	-67.64	424.20	1.44	-66.20
CCOCC(N=[N+]=[N-])C(=O)N1CC[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024632629	0	46	0.0	-23.44	402.01	-3.58	-27.02
C[NH+](C)CCSCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024632699	0	49	0.0	-82.56	420.05	2.09	-80.47
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024632705	0	51	0.0	-71.04	408.30	0.31	-70.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024632705	1	51	0.0	-71.55	407.08	0.32	-71.23
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300024632867	0	49	0.0	-70.23	388.85	2.68	-67.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C)C1	REAL300024632867	1	49	0.0	-71.40	384.49	2.31	-69.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CN(C)CCO2)C1	REAL300024632891	0	50	0.0	-80.93	399.40	2.12	-78.81
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300024632891	1	50	0.0	-80.34	399.26	2.14	-78.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300024632891	1	50	0.0	-80.93	399.40	2.12	-78.81
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633035	0	55	0.0	-68.91	422.04	3.76	-65.15
CC(C)[N@H+]1CCCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633035	1	55	0.0	-69.71	417.36	4.24	-65.47
CC1=[NH+]C=CN1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633058	1	47	0.0	-69.86	396.22	3.42	-66.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024633078	0	53	0.0	-78.88	404.06	3.37	-75.51
C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024633106	0	52	0.0	-77.72	400.35	2.75	-74.97
C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024633106	1	52	0.0	-78.11	408.29	3.06	-75.05
CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024633108	0	55	0.0	-75.30	419.00	3.33	-71.97
CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024633108	1	55	0.0	-75.62	423.62	3.69	-71.93
CCN1CCOC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024633113	0	53	0.0	-84.70	416.69	2.75	-81.95
CC[N@@H+]1CCOC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024633113	1	53	0.0	-82.44	416.48	2.72	-79.72
CC[N@H+]1CCOC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024633113	1	53	0.0	-84.70	416.69	2.75	-81.95
CC1CCC(C)[NH+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633158	0	55	0.0	-69.62	423.93	3.84	-65.78
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024633160	0	55	0.0	-75.20	435.03	4.28	-70.92
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024633163	0	55	0.0	-75.40	430.52	4.31	-71.09
CC[N@@H+]1CCCCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633166	0	55	0.0	-70.99	415.99	3.73	-67.26
CC[N@H+]1CCCCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633166	1	55	0.0	-68.33	425.03	4.01	-64.32
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300024633176	0	52	0.0	-72.46	393.54	2.76	-69.70
CC(C)[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024633182	0	54	0.0	-71.46	406.98	3.23	-68.23
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300024633200	0	52	0.0	-71.59	412.94	3.80	-67.79
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300024633200	1	52	0.0	-71.47	412.72	3.85	-67.62
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633254	1	51	0.0	-69.41	411.99	3.53	-65.88
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633254	1	51	0.0	-70.46	414.88	3.93	-66.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300024633259	0	55	0.0	-73.91	427.33	3.86	-70.05
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300024633259	1	55	0.0	-76.95	434.20	4.35	-72.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300024633275	0	52	0.0	-78.63	411.05	3.36	-75.27
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300024633302	0	52	0.0	-70.88	406.18	3.32	-67.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300024633302	1	52	0.0	-72.77	398.18	3.08	-69.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024633355	1	53	0.0	-78.59	422.10	1.86	-76.73
CC1=C[NH+]=CN1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633367	1	47	0.0	-72.58	396.26	4.20	-68.38
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024633383	0	53	0.0	-68.92	402.75	3.21	-65.71
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300024633388	0	52	0.0	-77.63	413.07	3.45	-74.18
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300024633388	1	52	0.0	-77.09	412.08	3.42	-73.67
CCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024633394	0	51	0.0	-72.89	395.56	2.84	-70.05
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCCC[NH+](C)C)C1	REAL300024633441	0	54	0.0	-77.30	432.19	4.00	-73.30
CC(C)C(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024633452	0	54	0.0	-74.20	410.28	3.28	-70.92
CCC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633453	0	54	0.0	-76.68	428.38	3.82	-72.86
CCC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633453	1	54	0.0	-76.88	428.11	3.84	-73.04
CCC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633456	0	51	0.0	-73.53	406.05	3.23	-70.30
CCC[N@@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633456	1	51	0.0	-73.53	406.02	3.24	-70.29
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024633469	0	53	0.0	-76.45	398.54	2.63	-73.82
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024633469	1	53	0.0	-76.30	399.09	2.66	-73.64
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300024633491	0	49	0.0	-70.35	388.95	2.68	-67.67
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300024633491	1	49	0.0	-70.95	385.33	2.31	-68.64
CC[NH+](CC)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633518	0	51	0.0	-71.88	398.38	2.91	-68.97
CC1CC[NH+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024633571	0	55	0.0	-73.89	429.36	4.31	-69.58
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300024633589	0	52	0.0	-75.28	414.99	3.39	-71.89
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300024633635	0	52	0.0	-78.63	411.05	3.36	-75.27
CC(C)[C@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024633650	0	54	0.0	-73.81	409.29	3.37	-70.44
CCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024633677	0	57	0.0	-67.69	427.75	3.95	-63.74
CC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633707	0	51	0.0	-75.90	406.89	3.08	-72.82
CC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633707	1	51	0.0	-76.38	405.51	3.06	-73.32
CC1CCC[N@@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633730	0	52	0.0	-70.48	411.70	3.51	-66.97
CC1CCC[N@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024633730	1	52	0.0	-71.19	410.78	3.59	-67.60
CC1CC[N@H+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024633731	0	52	0.0	-72.64	411.16	3.48	-69.16
CC1CC[N@@H+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024633731	1	52	0.0	-72.85	411.91	3.52	-69.33
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300024633733	0	55	0.0	-72.79	430.73	4.06	-68.73
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300024633733	1	55	0.0	-72.84	432.35	4.09	-68.75
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300024633734	0	57	0.0	-73.29	436.28	4.41	-68.88
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300024633734	1	57	0.0	-73.42	434.65	4.23	-69.19
CC[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024633741	0	51	0.0	-70.32	392.21	2.67	-67.65
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)C1	REAL300024633813	0	45	0.0	-73.97	366.83	1.83	-72.14
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024633816	0	55	0.0	-72.40	417.74	3.88	-68.52
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300024633819	0	47	0.0	-70.91	398.02	5.35	-65.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300024633823	0	52	0.0	-72.29	400.43	3.20	-69.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300024633823	1	52	0.0	-75.48	405.60	3.16	-72.32
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024633828	0	53	0.0	-71.52	416.27	3.76	-67.76
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024633828	1	53	0.0	-68.63	415.09	4.03	-64.60
CC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024633840	0	49	0.0	-71.13	386.52	2.44	-68.69
CCC(CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024633844	0	57	0.0	-76.54	438.30	4.33	-72.21
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300024633849	0	54	0.0	-71.24	402.87	2.99	-68.25
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024633860	1	53	0.0	-78.25	419.68	0.38	-77.87
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CC2)C1	REAL300024633861	0	49	0.0	-70.91	396.20	3.25	-67.66
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300024633861	1	49	0.0	-70.64	395.79	3.26	-67.38
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2C[NH+](C)C2)C1	REAL300024633875	0	49	0.0	-75.98	398.08	2.67	-73.31
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300024633885	0	55	0.0	-70.61	428.33	3.54	-67.07
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300024633885	1	55	0.0	-71.51	405.58	2.86	-68.65
C[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024633895	0	48	0.0	-71.55	382.60	2.16	-69.39
CN(C(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])C1	REAL300024633902	0	39	0.0	-25.13	343.51	-2.56	-27.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300024633944	0	45	0.0	-70.26	393.88	2.00	-68.26
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[N@H+](C)CCO)C1	REAL300024633949	0	52	0.0	-76.06	416.97	-0.13	-76.19
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[N@@H+](C)CCO)C1	REAL300024633949	1	52	0.0	-75.31	417.18	-0.15	-75.46
C[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024633950	0	48	0.0	-71.55	382.60	2.16	-69.39
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300024633953	0	52	0.0	-70.88	405.92	3.36	-67.52
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300024633953	1	52	0.0	-74.63	399.24	3.08	-71.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024633998	1	46	0.0	-73.82	377.08	2.31	-71.51
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300024634012	0	50	0.0	-77.52	404.93	3.37	-74.15
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300024634012	1	50	0.0	-77.61	404.72	3.37	-74.24
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)COCC[NH+](C)C)C1	REAL300024634032	0	52	0.0	-73.55	422.62	2.95	-70.60
C=CCC(C)(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024634043	0	55	0.0	-66.91	411.66	3.39	-63.52
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300024634060	0	53	0.0	-80.30	404.52	-0.43	-80.73
CC1CN(CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024634077	0	49	0.0	-73.85	395.86	2.94	-70.91
CC1C[NH+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024634077	1	49	0.0	-73.85	395.86	2.94	-70.91
CN(CCO)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634094	0	49	0.0	-74.13	394.58	-0.70	-74.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CCO)C1	REAL300024634094	1	49	0.0	-73.72	394.69	-0.74	-74.46
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CCO)C1	REAL300024634094	1	49	0.0	-73.72	394.69	-0.74	-74.46
CC[N@@H+]1CCCC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024634113	0	55	0.0	-69.21	428.29	4.01	-65.20
CC[N@H+]1CCCC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024634113	1	55	0.0	-69.21	428.29	4.01	-65.20
CC(CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024634115	0	54	0.0	-76.15	423.85	3.87	-72.28
CC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634118	0	48	0.0	-73.26	384.52	2.50	-70.76
CC[N@H+](CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024634142	0	52	0.0	-69.70	411.63	3.58	-66.12
CC[NH+](CC)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634150	0	54	0.0	-75.17	420.43	3.50	-71.67
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[NH+](C)CC2)C1	REAL300024634157	0	53	0.0	-75.68	419.51	4.11	-71.57
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300024634164	1	52	0.0	-73.74	416.22	3.39	-70.35
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300024634180	0	53	0.0	-74.24	422.46	0.22	-74.02
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300024634180	1	53	0.0	-72.29	422.61	0.23	-72.06
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+](C)C)C1	REAL300024634183	0	49	0.0	-78.70	400.45	3.02	-75.68
COCC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634196	1	52	0.0	-73.44	416.95	1.68	-71.76
COCC[N@@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634196	1	52	0.0	-74.85	417.13	1.67	-73.18
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300024634213	0	55	0.0	-68.31	400.58	3.00	-65.31
CC(CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024634215	0	54	0.0	-79.51	420.47	3.59	-75.92
CC[N@@H+]1CCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634221	1	49	0.0	-73.27	398.37	2.78	-70.49
CC[N@H+]1CCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634221	1	49	0.0	-70.41	389.93	2.42	-67.99
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300024634231	0	53	0.0	-72.93	415.06	-0.13	-73.06
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024634231	1	53	0.0	-72.49	415.52	-0.12	-72.61
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300024634247	0	55	0.0	-74.97	413.43	3.33	-71.64
C=CCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024634263	0	52	0.0	-71.20	408.52	3.28	-67.92
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300024634270	0	55	0.0	-70.05	425.85	3.36	-66.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300024634270	1	55	0.0	-70.04	425.17	3.44	-66.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCCCC[NH+](C)C)C1	REAL300024634272	0	57	0.0	-76.39	453.69	4.77	-71.62
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024634277	0	50	0.0	-73.70	401.96	3.75	-69.95
CCCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024634289	0	54	0.0	-73.64	417.06	3.59	-70.05
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300024634292	0	51	0.0	-77.27	385.51	2.46	-74.81
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300024634315	0	52	0.0	-70.88	406.18	3.32	-67.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300024634315	1	52	0.0	-72.77	398.18	3.08	-69.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300024634334	0	53	0.0	-72.84	424.66	4.16	-68.68
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300024634334	1	53	0.0	-71.29	424.58	4.16	-67.13
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024634364	0	53	0.0	-77.53	425.07	4.09	-73.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CC2)C1	REAL300024634390	0	49	0.0	-73.85	387.44	2.37	-71.48
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024634391	0	52	0.0	-75.46	414.85	3.60	-71.86
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300024634412	0	52	0.0	-78.96	398.91	-0.04	-79.00
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300024634416	0	50	0.0	-75.91	390.08	2.99	-72.92
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300024634416	1	50	0.0	-74.92	390.08	3.05	-71.87
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024634421	0	53	0.0	-71.12	409.59	3.71	-67.41
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024634421	1	53	0.0	-70.67	411.15	3.74	-66.93
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024634456	1	51	0.0	-70.34	404.27	3.66	-66.68
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024634456	1	51	0.0	-69.81	405.96	3.73	-66.08
CC(C[NH+](C)C)C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634486	0	51	0.0	-76.44	405.49	2.98	-73.46
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300024634525	0	55	0.0	-76.82	425.45	4.04	-72.78
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300024634525	1	55	0.0	-76.55	424.75	4.01	-72.54
CC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024634534	0	52	0.0	-67.70	415.40	3.34	-64.36
CC1CC[N@@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634536	1	49	0.0	-72.55	398.03	2.90	-69.65
CC1CC[N@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634536	1	49	0.0	-72.70	397.21	2.89	-69.81
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC(O)C[NH+](C)C)C1	REAL300024634538	0	52	0.0	-79.65	419.42	0.90	-78.75
CC1C[N@H+](C)CC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024634555	1	53	0.0	-86.02	412.75	2.37	-83.65
CC1C[N@@H+](C)CC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024634555	1	53	0.0	-80.32	413.31	2.68	-77.64
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300024634593	0	52	0.0	-74.15	416.25	3.58	-70.57
CC(CC[NH+](C)C)C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634597	0	54	0.0	-76.45	427.15	3.61	-72.84
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300024634612	1	54	0.0	-73.74	425.66	1.35	-72.39
CN(C(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634782	0	49	0.0	-71.99	385.30	2.34	-69.65
CN(C(=O)C1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634782	1	49	0.0	-73.42	385.67	2.34	-71.08
CN(C(=O)C1C[N@H+](C)CCO1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634808	1	50	0.0	-77.72	391.29	1.84	-75.88
CN(C(=O)C1C[N@@H+](C)CCO1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634808	1	50	0.0	-86.54	400.41	2.12	-84.42
CN(C(=O)CC[NH+]1CCOCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634956	1	53	0.0	-78.50	421.98	1.86	-76.64
CN(C(=O)C12CCC[NH+]1CCC2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634964	0	53	0.0	-68.95	404.12	3.19	-65.76
CN(C(=O)CC1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634987	0	52	0.0	-74.85	412.48	3.43	-71.42
CN(C(=O)CC1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634987	1	52	0.0	-75.67	412.42	3.42	-72.25
CCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024634993	0	51	0.0	-69.75	391.95	2.65	-67.10
CN(C(=O)CCCC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635025	0	54	0.0	-75.14	430.79	3.97	-71.17
CC(C)C(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024635038	0	54	0.0	-70.51	406.40	3.21	-67.30
CCC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635039	0	54	0.0	-76.51	428.31	3.82	-72.69
CCC[N@@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635039	1	54	0.0	-76.74	428.12	3.84	-72.90
CCC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635042	0	51	0.0	-73.96	405.94	3.23	-70.73
CCC[N@@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635042	1	51	0.0	-73.90	405.94	3.24	-70.66
CN(C(=O)C12CC[N@H+](C1)CCC2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635055	0	53	0.0	-70.62	400.14	2.64	-67.98
CN(C(=O)C12CC[N@@H+](C1)CCC2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635055	1	53	0.0	-75.93	399.38	2.61	-73.32
CC1CC[NH+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024635080	0	55	0.0	-74.32	429.39	4.31	-70.01
CN(C(=O)C1(C[NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635117	0	52	0.0	-69.71	413.45	3.37	-66.34
CC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635134	0	51	0.0	-75.70	406.81	3.08	-72.62
CC[N@@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635134	1	51	0.0	-75.80	406.81	3.08	-72.72
CN(C(=O)C1C[NH+]2CCC1CC2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635146	0	53	0.0	-78.37	403.97	3.37	-75.00
CN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635184	0	52	0.0	-75.24	408.35	3.24	-72.00
CC(C)[C@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024635199	0	54	0.0	-70.05	407.17	3.23	-66.82
CN(C(=O)C1([NH+](C)C)CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635262	0	52	0.0	-76.51	395.64	2.87	-73.64
CCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024635289	0	57	0.0	-65.65	424.36	3.69	-61.96
CC1CCC[N@@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635298	0	52	0.0	-68.90	404.52	3.16	-65.74
CC1CCC[N@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635298	1	52	0.0	-70.99	412.11	3.61	-67.38
CC(C)[N@@H+]1CCCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635325	0	55	0.0	-69.71	417.18	4.14	-65.57
CC(C)[N@H+]1CCCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635325	1	55	0.0	-67.97	420.63	3.71	-64.26
CC(C)[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024635332	0	54	0.0	-69.83	407.28	3.24	-66.59
CC1CC[N@H+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024635342	0	52	0.0	-71.63	411.09	3.55	-68.08
CC1CC[N@@H+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024635342	1	52	0.0	-73.25	412.05	3.57	-69.68
CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635344	0	55	0.0	-73.36	431.96	4.06	-69.30
CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635344	1	55	0.0	-73.07	431.68	4.06	-69.01
CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635345	0	57	0.0	-73.49	436.84	4.38	-69.11
CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635345	1	57	0.0	-72.53	433.31	4.20	-68.33
CC[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024635352	0	51	0.0	-71.58	396.10	2.87	-68.71
CC1=[NH+]C=CN1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635432	1	47	0.0	-70.65	396.13	3.42	-67.23
CC[N@@H+]1CCOC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024635475	1	53	0.0	-78.13	410.71	2.59	-75.54
CC[N@H+]1CCOC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024635475	1	53	0.0	-78.21	408.66	2.46	-75.75
CC1=C[NH+]=CN1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635495	1	47	0.0	-72.62	395.41	4.13	-68.49
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024635500	0	52	0.0	-74.87	403.02	3.11	-71.76
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024635500	1	52	0.0	-74.00	407.72	3.35	-70.65
CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024635502	0	55	0.0	-76.27	419.00	3.37	-72.90
CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024635502	1	55	0.0	-74.08	423.36	3.83	-70.25
CC1CCC(C)[NH+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635507	0	55	0.0	-69.66	423.48	3.70	-65.96
CN(C(=O)CCC[NH+]1CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635509	0	55	0.0	-74.91	436.54	4.39	-70.52
CN(C(=O)CC[NH+]1CCCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635513	0	55	0.0	-75.14	430.71	4.28	-70.86
CC[N@@H+]1CCCCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635516	0	55	0.0	-67.69	423.59	3.96	-63.73
CC[N@H+]1CCCCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635516	1	55	0.0	-70.68	416.57	3.75	-66.93
CN(C(=O)C[N@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635596	0	52	0.0	-72.01	412.99	3.80	-68.21
CN(C(=O)C[N@@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635596	1	52	0.0	-71.73	412.82	3.80	-67.93
CN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635620	0	52	0.0	-75.24	408.35	3.24	-72.00
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635642	0	49	0.0	-69.63	386.23	2.58	-67.05
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635642	1	49	0.0	-71.44	385.73	2.36	-69.08
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635659	1	51	0.0	-69.72	412.33	3.59	-66.13
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635659	1	51	0.0	-71.85	418.44	3.99	-67.86
CN(C(=O)CCC1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635664	0	55	0.0	-73.64	428.73	3.87	-69.77
CN(C(=O)CCC1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635664	1	55	0.0	-76.93	434.04	4.36	-72.57
CN(C(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635727	0	52	0.0	-69.54	405.88	3.37	-66.17
CN(C(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635727	1	52	0.0	-70.93	407.10	3.42	-67.51
CC1C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024635776	0	52	0.0	-72.06	405.80	2.89	-69.17
CC1C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024635776	1	52	0.0	-74.01	407.42	3.36	-70.65
CN(C(=O)C1CC[N@@H+]1C(C)(C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635826	0	55	0.0	-70.67	427.21	3.49	-67.18
CN(C(=O)C1CC[N@H+]1C(C)(C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635826	1	55	0.0	-70.24	405.14	2.87	-67.37
C[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024635839	0	48	0.0	-71.70	382.53	2.18	-69.52
C=CCC(C)(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024635851	0	55	0.0	-67.94	411.92	3.39	-64.55
CN(C(=O)CC[NH+]1CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635863	0	52	0.0	-75.30	414.86	3.59	-71.71
CN(C(=O)C[N@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635871	1	49	0.0	-72.72	393.56	-0.76	-73.48
CN(C(=O)C[N@@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635871	1	49	0.0	-74.48	394.54	-0.74	-75.22
CN(C(=O)CC1=CC[N@H+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635917	0	53	0.0	-72.56	425.73	4.20	-68.36
CN(C(=O)CC1=CC[N@@H+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635917	1	53	0.0	-70.86	425.91	4.18	-66.68
CN(C(=O)C1(C)CC(O)C[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635935	0	53	0.0	-78.26	406.18	-0.36	-78.62
CN(C(=O)C1(C)CC(O)C[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635935	1	53	0.0	-69.26	407.54	-0.63	-69.89
CC1C[NH+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024635961	1	49	0.0	-74.05	398.03	2.90	-71.15
CC[N@@H+]1CCCC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024635967	0	55	0.0	-71.35	423.24	3.81	-67.54
CC[N@H+]1CCCC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024635967	1	55	0.0	-73.24	424.09	3.84	-69.40
CN(C(=O)C1CCC[N@@H+]1C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635978	0	53	0.0	-67.62	419.27	4.13	-63.49
CN(C(=O)C1CCC[N@H+]1C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635978	1	53	0.0	-68.27	417.40	4.03	-64.24
CN(C(=O)C=CC[NH+]1CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635999	0	53	0.0	-76.93	427.18	4.20	-72.73
CC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636036	0	48	0.0	-73.53	384.44	2.48	-71.05
CN(C(=O)CN1CC2C=CC1C2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636065	0	51	0.0	-69.60	405.81	3.70	-65.90
CN(C(=O)C[N@@H+]1CC2C=CC1C2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636065	1	51	0.0	-71.87	405.97	3.81	-68.06
CN(C(=O)C[N@H+]1CC2C=CC1C2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636065	1	51	0.0	-71.87	405.97	3.81	-68.06
COCCN(C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636140	0	52	0.0	-74.45	416.83	1.64	-72.81
COCC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636140	1	52	0.0	-72.96	415.81	1.64	-71.32
COCC[N@@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636140	1	52	0.0	-72.96	415.81	1.64	-71.32
CC(CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024636143	0	54	0.0	-72.52	422.72	3.58	-68.94
CN(C(=O)C=C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636151	0	53	0.0	-74.13	419.59	4.13	-70.00
CC[N@H+](CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024636156	0	52	0.0	-70.25	415.30	3.86	-66.39
CC[N@@H+](CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024636156	1	52	0.0	-70.19	415.55	3.87	-66.32
CN(C(=O)C12CC(C1)C[N@@H+]2C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636181	0	50	0.0	-76.37	392.80	3.10	-73.27
CN(C(=O)C12CC(C1)C[N@H+]2C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636181	1	50	0.0	-76.04	391.89	3.19	-72.85
CN(C(=O)C[N@@H+]1CC2CCC1C2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636188	0	53	0.0	-70.78	410.61	3.73	-67.05
CN(C(=O)C[N@H+]1CC2CCC1C2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636188	1	53	0.0	-71.78	413.13	3.91	-67.87
CC(C[NH+](C)C)C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636201	0	51	0.0	-65.50	403.42	2.88	-62.62
CN(C(=O)C1([NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636209	0	49	0.0	-74.04	388.23	2.57	-71.47
C[C@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024636225	0	48	0.0	-71.31	381.73	2.20	-69.11
CC[N@@H+]1CCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636229	1	49	0.0	-71.67	395.67	2.67	-69.00
CC[N@H+]1CCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636229	1	49	0.0	-72.94	398.01	2.79	-70.15
CCC(C)(C)[NH2+]C(C)C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636235	0	57	0.0	-67.17	430.00	2.29	-64.88
CN(C(=O)C1=C[NH+]=CC=C1N)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636258	0	45	0.0	-75.68	376.35	-0.26	-75.94
CCCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024636265	0	54	0.0	-71.03	414.91	3.51	-67.52
CN(C(=O)C(C)(C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636269	0	51	0.0	-71.69	383.93	2.81	-68.88
CC(CC[NH+](C)C)C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636282	0	54	0.0	-75.13	421.88	3.46	-71.67
CN(C(=O)C1CC(C)(C)C[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636330	0	55	0.0	-73.03	426.34	3.42	-69.61
CN(C(=O)C1CC(C)(C)C[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636330	1	55	0.0	-70.36	425.40	3.53	-66.83
CN(C(=O)CCCCC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636332	0	57	0.0	-74.33	452.30	4.77	-69.56
CN(C(=O)CN1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636339	1	54	0.0	-73.40	425.73	1.32	-72.08
CC1C[N@H+](C)CC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024636380	1	53	0.0	-84.87	413.77	2.41	-82.46
CC1C[N@@H+](C)CC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024636380	1	53	0.0	-79.62	414.12	2.66	-76.96
CN(C(=O)C[NH+]1CC2CC2C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636407	0	50	0.0	-74.00	402.04	3.69	-70.31
CN(C(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636424	0	52	0.0	-69.54	405.88	3.37	-66.17
CN(C(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636424	1	52	0.0	-70.93	407.10	3.42	-67.51
CN(C(=O)C=C1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636482	0	50	0.0	-75.81	403.79	3.36	-72.45
CN(C(=O)C=C1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636482	1	50	0.0	-75.84	403.64	3.32	-72.52
CN(C(=O)CNC1=CC=[NH+]C=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636484	0	48	0.0	-74.19	402.43	1.09	-73.10
CN(C(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024636507	0	39	0.0	-25.03	343.68	-2.58	-27.61
CN(C(=O)C1([NH+](C)C)CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636534	0	55	0.0	-68.37	404.36	3.24	-65.13
CCC1C[NH+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024636541	0	52	0.0	-74.84	419.42	3.67	-71.17
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636550	0	49	0.0	-71.97	385.28	2.34	-69.63
CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636550	1	49	0.0	-70.57	389.28	2.71	-67.86
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636628	0	52	0.0	-72.31	414.33	3.50	-68.81
CN(C(=O)C1(CC[NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636636	0	55	0.0	-76.82	437.42	4.18	-72.64
CN(C(=O)CC1CC=CC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636637	0	53	0.0	-77.80	418.16	3.93	-73.87
CN(C(=O)CC1CC=CC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636637	1	53	0.0	-77.95	417.68	3.92	-74.03
CN(C(=O)COCC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636665	0	52	0.0	-73.47	422.62	2.92	-70.55
CN(C(=O)CN1C=CSC1=[NH2+])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636689	0	45	0.0	-69.03	392.51	1.98	-67.05
CN(C(=O)C1CCC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636745	0	52	0.0	-73.44	405.12	3.15	-70.29
CN(C(=O)C1CCC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636745	1	52	0.0	-73.44	405.12	3.15	-70.29
CN(C(=O)C[NH+]1CCCCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636746	0	55	0.0	-73.30	417.67	3.87	-69.43
CN(C(=O)C[N+]1=CN(C)C=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636749	0	47	0.0	-71.77	397.94	5.33	-66.44
CN(C(=O)CN1CCC(O)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636768	0	53	0.0	-77.55	419.37	0.35	-77.20
CN(C(=O)C[NH+]1CCC(O)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636768	1	53	0.0	-77.55	419.37	0.35	-77.20
CN(C(=O)C[N@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636769	0	49	0.0	-71.56	396.12	3.23	-68.33
CC(CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024636787	0	54	0.0	-75.69	423.94	3.87	-71.82
CN(C(=O)CC1COCCN1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636804	0	53	0.0	-69.02	409.64	1.54	-67.48
CN(C(=O)CC1COCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636804	1	53	0.0	-80.85	417.07	1.67	-79.18
CN(C(=O)CC1COCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636804	1	53	0.0	-80.85	417.07	1.67	-79.18
CN(C(=O)C[N@@H+]1CCC(C)(O)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636865	0	53	0.0	-72.62	422.59	0.21	-72.41
CN(C(=O)CC1C[NH+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636886	0	49	0.0	-75.45	398.15	2.67	-72.78
CN(C(=O)CC[N@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636909	0	52	0.0	-74.89	417.11	-0.14	-75.03
CN(C(=O)CC[N@@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636909	1	52	0.0	-74.89	417.11	-0.14	-75.03
CN(C(=O)CC1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636924	0	55	0.0	-66.02	418.46	3.92	-62.10
CN(C(=O)CC1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636924	1	55	0.0	-66.02	418.46	3.92	-62.10
CC1CCN1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636936	0	49	0.0	-70.97	397.21	2.88	-68.09
CC1CC[N@@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636936	1	49	0.0	-71.42	392.60	2.61	-68.81
CC1CC[N@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636936	1	49	0.0	-71.42	392.60	2.61	-68.81
CN(C(=O)C=CC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636942	0	49	0.0	-79.01	403.15	3.10	-75.91
CN(C(=O)CN1CC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636947	0	52	0.0	-74.26	417.12	3.39	-70.87
CN(C(=O)C[NH+]1CC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636947	1	52	0.0	-74.26	417.12	3.39	-70.87
CN(C(=O)C[N@@H+]1CCCC1CO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636981	0	53	0.0	-73.21	419.75	0.37	-72.84
CC[NH+](CC)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636983	0	51	0.0	-70.61	397.02	2.87	-67.74
CN(C(=O)CN1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636992	0	46	0.0	-74.23	377.05	2.29	-71.94
CN(C(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636992	1	46	0.0	-74.23	377.05	2.29	-71.94
CC[NH+](CC)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024637020	0	54	0.0	-73.17	423.38	3.76	-69.41
CC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300024637070	0	49	0.0	-70.91	389.56	2.57	-68.34
CC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024637070	1	49	0.0	-70.91	389.56	2.57	-68.34
CCC(CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024637075	0	57	0.0	-67.97	442.06	4.49	-63.48
CN(C(=O)C(C)(C)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024637080	0	54	0.0	-68.31	401.13	2.90	-65.41
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024637109	0	52	0.0	-74.30	399.72	3.04	-71.26
CN(C(=O)CC(O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024637128	0	52	0.0	-79.12	419.45	0.84	-78.28
C=CCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024637148	0	52	0.0	-70.07	406.30	3.28	-66.79
CN(C(=O)C1(C)CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024637159	0	55	0.0	-74.00	412.95	3.19	-70.81
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CSC(N)=[NH2+])C1	REAL300024637180	0	43	0.0	-76.18	375.28	-1.24	-77.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300024637203	0	55	0.0	-78.40	438.18	4.18	-74.22
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300024637204	0	53	0.0	-78.03	416.26	3.88	-74.15
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300024637204	1	53	0.0	-78.37	416.95	3.90	-74.47
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300024637290	0	49	0.0	-70.32	391.56	2.72	-67.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300024637290	1	49	0.0	-70.32	391.56	2.72	-67.60
CC1C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024637312	0	52	0.0	-75.74	407.35	3.39	-72.35
CC1C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024637312	1	52	0.0	-75.74	407.35	3.39	-72.35
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2COCCN2C)C1	REAL300024637340	0	53	0.0	-80.56	416.83	1.68	-78.88
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300024637340	1	53	0.0	-71.04	409.91	1.53	-69.51
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2COCC[N@H+]2C)C1	REAL300024637340	1	53	0.0	-71.04	409.91	1.53	-69.51
C[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637552	0	49	0.0	-58.36	381.08	3.26	-55.10
CN1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024637576	0	50	0.0	-74.16	388.08	2.91	-71.25
C[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024637576	1	50	0.0	-76.31	384.06	2.82	-73.49
C[N@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024637576	1	50	0.0	-76.31	384.06	2.82	-73.49
CC(C)[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637720	0	55	0.0	-62.74	418.34	4.39	-58.35
CC(C)[N@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637720	1	55	0.0	-62.74	418.34	4.39	-58.35
CC1=NC=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637743	0	47	0.0	-71.83	391.10	4.39	-67.44
CC1=[NH+]C=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637743	1	47	0.0	-71.83	391.10	4.39	-67.44
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300024637763	0	53	0.0	-73.99	397.73	4.29	-69.70
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024637791	0	52	0.0	-61.11	396.35	3.67	-57.44
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024637791	1	52	0.0	-61.11	396.35	3.67	-57.44
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024637793	0	55	0.0	-68.72	420.47	4.59	-64.13
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024637793	1	55	0.0	-68.72	420.47	4.59	-64.13
CCN1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024637798	0	53	0.0	-61.61	406.58	3.22	-58.39
CC[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024637798	1	53	0.0	-74.20	408.44	3.29	-70.91
CC[N@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024637798	1	53	0.0	-74.20	408.44	3.29	-70.91
CC1CCC(C)[NH+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637843	0	55	0.0	-71.69	419.65	4.84	-66.85
O=C(CCC[NH+]1CCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637845	0	55	0.0	-75.21	429.89	5.25	-69.96
O=C(CC[NH+]1CCCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637848	0	55	0.0	-68.22	422.27	4.90	-63.32
CC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637851	0	55	0.0	-70.47	418.06	4.91	-65.56
CC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637851	1	55	0.0	-70.47	418.06	4.91	-65.56
C[NH+](C)C1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024637861	0	52	0.0	-72.18	386.44	3.83	-68.35
CC(C)[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024637867	0	54	0.0	-59.73	395.88	3.97	-55.76
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024637885	0	52	0.0	-73.69	407.92	4.77	-68.92
C[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024637885	1	52	0.0	-73.69	407.92	4.77	-68.92
C#CCN1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637939	0	51	0.0	-59.24	404.32	4.18	-55.06
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637939	1	51	0.0	-71.61	404.67	4.70	-66.91
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637939	1	51	0.0	-71.61	404.67	4.70	-66.91
C[N@@H+]1CCCC1CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637944	0	55	0.0	-64.94	420.09	4.49	-60.45
C[N@H+]1CCCC1CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637944	1	55	0.0	-64.94	420.09	4.49	-60.45
C[NH+]1CCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024637960	0	52	0.0	-78.21	402.14	4.27	-73.94
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024637987	0	52	0.0	-71.74	400.28	4.27	-67.47
O=C(CCN1CCOCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638040	0	53	0.0	-70.86	413.53	2.48	-68.38
O=C(CC[NH+]1CCOCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638040	1	53	0.0	-70.86	413.53	2.48	-68.38
CC1=CN=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638052	0	47	0.0	-73.75	391.48	5.12	-68.63
CC1=C[NH+]=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638052	1	47	0.0	-73.75	391.48	5.12	-68.63
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300024638068	0	53	0.0	-65.12	388.44	3.52	-61.60
C[N@@H+]1CCC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638073	0	52	0.0	-76.15	408.10	4.43	-71.72
C[N@H+]1CCC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638073	1	52	0.0	-76.15	408.10	4.43	-71.72
CCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024638079	0	51	0.0	-71.91	383.45	3.51	-68.40
C[NH+](C)CCCCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638126	0	54	0.0	-69.27	423.64	4.60	-64.67
CC(C)C(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024638137	0	54	0.0	-70.72	402.41	4.22	-66.50
CCC[N@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638138	0	54	0.0	-69.84	419.87	4.44	-65.40
CCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638138	1	54	0.0	-69.84	419.87	4.44	-65.40
CCC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638141	0	51	0.0	-75.97	400.91	4.19	-71.78
CCC[N@@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638141	1	51	0.0	-75.97	400.91	4.19	-71.78
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300024638154	0	53	0.0	-67.19	387.79	3.17	-64.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300024638154	1	53	0.0	-78.99	389.29	3.41	-75.58
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638176	0	49	0.0	-54.70	375.35	2.90	-51.80
C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638176	1	49	0.0	-58.38	380.91	3.24	-55.14
CC[NH+](CC)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638203	0	51	0.0	-65.37	389.86	3.50	-61.87
CC1CC[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024638256	0	55	0.0	-60.69	420.87	4.88	-55.81
C[NH+](C)CC1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024638274	0	52	0.0	-71.99	405.45	4.23	-67.76
C[NH+]1CCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024638320	0	52	0.0	-78.21	402.14	4.27	-73.94
CC(C)[C@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024638335	0	54	0.0	-74.17	405.76	4.35	-69.82
CCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](CC)CC	REAL300024638362	0	57	0.0	-67.40	421.85	4.99	-62.41
CC[N@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638392	0	51	0.0	-62.36	398.39	3.66	-58.70
CC[N@@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638392	1	51	0.0	-61.75	398.39	3.68	-58.07
CC1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638415	0	52	0.0	-71.98	400.37	4.16	-67.82
CC1CCC[N@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638415	1	52	0.0	-65.36	396.93	3.80	-61.56
CC1CC[N@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638416	0	52	0.0	-66.55	404.39	4.14	-62.41
CC1CC[N@@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638416	1	52	0.0	-67.85	403.56	4.11	-63.74
CC1(C)CC[N@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638418	0	55	0.0	-60.08	423.50	4.64	-55.44
CC1(C)CC[N@@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638418	1	55	0.0	-67.18	423.51	4.65	-62.53
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024638419	0	57	0.0	-75.59	431.82	5.34	-70.25
C[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024638419	1	57	0.0	-75.41	431.82	5.34	-70.07
CC[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024638426	0	51	0.0	-71.90	383.48	3.52	-68.38
C[NH+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638498	0	45	0.0	-67.86	358.27	2.42	-65.44
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300024638501	0	55	0.0	-59.30	409.26	4.46	-54.84
CN1C=C[N+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024638504	0	47	0.0	-73.16	392.92	6.30	-66.86
C[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638508	0	52	0.0	-59.92	391.57	4.15	-55.77
C[N@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638508	1	52	0.0	-75.12	402.20	4.23	-70.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300024638513	0	53	0.0	-68.74	413.23	4.90	-63.84
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300024638513	1	53	0.0	-56.93	399.83	4.31	-52.62
CC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024638525	1	49	0.0	-68.07	384.51	3.26	-64.81
CCC(CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024638529	0	57	0.0	-69.83	425.42	4.83	-65.00
C[NH+](C)CC(C)(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638534	0	54	0.0	-74.88	393.60	3.72	-71.16
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCC(O)CC2)CC1	REAL300024638545	1	53	0.0	-80.70	414.92	1.32	-79.38
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024638546	0	49	0.0	-72.59	390.97	4.19	-68.40
C[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024638546	1	49	0.0	-72.42	390.97	4.18	-68.24
C[NH+]1CC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638560	0	49	0.0	-75.60	393.13	3.64	-71.96
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638570	0	55	0.0	-66.06	417.72	4.01	-62.05
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638570	1	55	0.0	-70.66	421.81	4.45	-66.21
C[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024638580	0	48	0.0	-69.56	375.29	3.06	-66.50
[N-]=[N+]=NCC(=O)N1CCCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024638587	0	39	0.0	-26.62	335.24	-1.97	-28.59
[NH2+]=C1SC=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638629	0	45	0.0	-71.60	388.77	2.97	-68.63
C[N@H+](CCO)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638634	0	52	0.0	-60.59	408.74	0.47	-60.12
C[N@@H+](CCO)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638634	1	52	0.0	-66.91	408.70	0.45	-66.46
C[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024638635	0	48	0.0	-69.56	375.29	3.06	-66.50
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638638	0	52	0.0	-75.48	390.05	3.90	-71.58
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638638	1	52	0.0	-60.35	399.86	4.03	-56.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCC2)CC1	REAL300024638683	1	46	0.0	-76.16	371.83	3.21	-72.95
C[N@@H+]1CCC(=CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638697	0	50	0.0	-67.77	397.93	4.04	-63.73
C[N@H+]1CCC(=CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638697	1	50	0.0	-70.44	397.92	4.04	-66.40
C[NH+](C)CCOCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638717	0	52	0.0	-69.99	414.14	3.55	-66.44
C=CCC(C)(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024638728	0	55	0.0	-66.56	388.87	3.98	-62.58
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638745	0	53	0.0	-70.47	395.07	-0.38	-70.85
CC1CN(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638762	0	49	0.0	-67.90	389.55	3.51	-64.39
CC1C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638762	1	49	0.0	-67.90	389.55	3.51	-64.39
CN(CCO)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638779	0	49	0.0	-76.04	389.77	0.21	-75.83
C[N@H+](CCO)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638779	1	49	0.0	-76.09	389.56	0.23	-75.86
C[N@@H+](CCO)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638779	1	49	0.0	-76.09	389.56	0.23	-75.86
CC[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638798	0	55	0.0	-73.39	419.87	4.89	-68.50
CC[N@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638798	1	55	0.0	-73.39	419.87	4.89	-68.50
CC(CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024638800	0	54	0.0	-67.03	415.46	4.47	-62.56
CC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638803	0	48	0.0	-75.56	379.45	3.44	-72.12
CC[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024638827	0	52	0.0	-71.69	410.79	4.86	-66.83
CC[NH+](CC)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638835	0	54	0.0	-69.49	411.87	4.12	-65.37
CC1(C)CN(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638849	0	52	0.0	-76.08	412.13	4.36	-71.72
CC1(C)C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638849	1	52	0.0	-76.08	412.13	4.36	-71.72
CC1(O)CC[N@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024638865	0	53	0.0	-75.94	418.22	1.20	-74.74
C[NH+](C)CC=CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638868	0	49	0.0	-78.22	396.57	4.01	-74.21
COCCN(C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638881	0	52	0.0	-76.02	411.81	2.63	-73.39
COCC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638881	1	52	0.0	-76.32	412.02	2.61	-73.71
COCC[N@@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638881	1	52	0.0	-76.32	412.02	2.61	-73.71
C[NH+](C)C1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300024638898	0	55	0.0	-58.67	386.52	2.79	-55.88
CC(CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024638900	0	54	0.0	-67.85	411.92	4.20	-63.65
CCN1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638906	0	49	0.0	-72.64	385.60	3.49	-69.15
CC[N@@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638906	1	49	0.0	-73.99	391.91	3.74	-70.25
CC[N@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638906	1	49	0.0	-73.99	391.91	3.74	-70.25
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@H+]2CCCC2CO)CC1	REAL300024638916	0	53	0.0	-67.75	404.04	0.96	-66.79
C[NH+]1CCC(C)(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024638932	0	55	0.0	-56.68	401.67	3.70	-52.98
C=CCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024638948	0	52	0.0	-74.13	402.78	4.32	-69.81
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638955	0	55	0.0	-71.72	423.32	4.80	-66.92
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638955	1	55	0.0	-71.72	423.32	4.80	-66.92
C[NH+](C)CCCCCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638957	0	57	0.0	-69.28	445.14	5.39	-63.89
CCCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024638974	0	54	0.0	-72.56	409.64	4.53	-68.03
C[NH+](C)C(C)(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024638977	0	51	0.0	-72.61	376.92	3.07	-69.54
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639000	0	52	0.0	-71.74	400.28	4.27	-67.47
C[N@H+]1CC=C(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024639019	0	53	0.0	-64.74	417.37	4.78	-59.96
C[N@@H+]1CC=C(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024639019	1	53	0.0	-64.74	417.37	4.78	-59.96
O=C(C=CC[NH+]1CCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639049	0	53	0.0	-77.17	422.91	5.21	-71.96
O=C(CC[NH+]1CCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639076	0	52	0.0	-68.07	406.59	4.18	-63.89
C[N@@H+]1CC2CC1(C(=O)N1CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024639101	0	50	0.0	-64.78	380.19	3.41	-61.37
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300024639106	0	53	0.0	-59.82	404.66	4.51	-55.31
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300024639106	1	53	0.0	-59.82	404.66	4.51	-55.31
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)CN2CC3C=CC2C3)CC1	REAL300024639141	0	51	0.0	-73.72	401.08	4.78	-68.94
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300024639141	1	51	0.0	-74.01	401.12	4.77	-69.24
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300024639141	1	51	0.0	-74.01	401.12	4.77	-69.24
CC(C[NH+](C)C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639171	0	51	0.0	-79.43	397.75	3.89	-75.54
C[N@@H+]1CCCCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639210	0	55	0.0	-67.86	413.42	4.88	-62.98
C[N@H+]1CCCCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639210	1	55	0.0	-68.25	417.71	4.67	-63.58
CC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024639219	0	52	0.0	-65.88	402.19	3.78	-62.10
CC1CC[N@@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639221	1	49	0.0	-73.41	387.48	3.59	-69.82
CC1CC[N@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639221	1	49	0.0	-73.18	387.46	3.60	-69.58
C[NH+](C)CC(O)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639223	0	52	0.0	-71.71	410.98	1.45	-70.26
CC1C[N@H+](C)CC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024639240	1	53	0.0	-86.40	415.04	3.51	-82.89
CC1C[N@@H+](C)CC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024639240	1	53	0.0	-87.19	407.79	3.10	-84.09
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024639278	0	52	0.0	-73.09	406.36	4.10	-68.99
CC(CC[NH+](C)C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639282	0	54	0.0	-79.04	419.37	4.49	-74.55
C[NH+]1CCN(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024639297	1	54	0.0	-73.64	420.75	2.29	-71.35
C[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639467	0	49	0.0	-70.75	377.63	3.33	-67.42
C[N@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639467	1	49	0.0	-58.36	381.08	3.26	-55.10
C[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024639493	1	50	0.0	-74.16	388.08	2.91	-71.25
C[N@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024639493	1	50	0.0	-76.31	384.06	2.82	-73.49
O=C(CC[NH+]1CCOCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639641	1	53	0.0	-70.86	413.53	2.48	-68.38
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300024639649	0	53	0.0	-65.12	388.44	3.52	-61.60
C[N@@H+]1CCC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024639672	0	52	0.0	-76.99	408.00	4.43	-72.56
C[N@H+]1CCC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024639672	1	52	0.0	-76.15	408.10	4.43	-71.72
CCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024639678	0	51	0.0	-71.91	383.45	3.51	-68.40
C[NH+](C)CCCCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639710	0	54	0.0	-69.27	423.64	4.60	-64.67
CC(C)C(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024639723	0	54	0.0	-70.72	402.41	4.22	-66.50
CCC[N@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639724	0	54	0.0	-62.93	419.89	4.42	-58.51
CCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639724	1	54	0.0	-69.84	419.87	4.44	-65.40
CCC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639727	0	51	0.0	-75.95	400.92	4.18	-71.77
CCC[N@@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639727	1	51	0.0	-75.97	400.91	4.19	-71.78
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300024639740	0	53	0.0	-67.19	387.79	3.17	-64.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300024639740	1	53	0.0	-78.99	389.29	3.41	-75.58
CC1CC[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024639765	0	55	0.0	-60.69	420.87	4.88	-55.81
C[NH+](C)CC1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024639802	0	52	0.0	-71.99	405.45	4.23	-67.76
CC[N@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639819	0	51	0.0	-62.36	398.39	3.66	-58.70
CC[N@@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639819	1	51	0.0	-61.75	398.39	3.68	-58.07
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300024639831	0	53	0.0	-73.99	397.73	4.29	-69.70
C[NH+]1CCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024639869	0	52	0.0	-78.21	402.14	4.27	-73.94
CC(C)[C@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024639884	0	54	0.0	-74.17	405.76	4.35	-69.82
C[NH+](C)C1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024639947	0	52	0.0	-72.18	386.44	3.83	-68.35
CCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](CC)CC	REAL300024639974	0	57	0.0	-67.40	421.85	4.99	-62.41
CC1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639983	0	52	0.0	-71.98	400.37	4.16	-67.82
CC1CCC[N@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024639983	1	52	0.0	-65.36	396.93	3.80	-61.56
CC(C)[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640010	0	55	0.0	-69.80	410.22	4.86	-64.94
CC(C)[N@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640010	1	55	0.0	-62.74	418.34	4.39	-58.35
CC(C)[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024640017	0	54	0.0	-59.73	395.88	3.97	-55.76
CC1CC[N@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024640027	0	52	0.0	-66.55	404.39	4.14	-62.41
CC1CC[N@@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024640027	1	52	0.0	-67.85	403.56	4.11	-63.74
CC1(C)CC[N@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024640029	0	55	0.0	-60.08	423.50	4.64	-55.44
CC1(C)CC[N@@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024640029	1	55	0.0	-67.18	423.51	4.65	-62.53
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024640030	0	57	0.0	-75.59	431.82	5.34	-70.25
C[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024640030	1	57	0.0	-75.41	431.82	5.34	-70.07
CC[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024640037	0	51	0.0	-71.90	383.48	3.52	-68.38
CC1=[NH+]C=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640117	1	47	0.0	-71.83	391.10	4.39	-67.44
CC[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024640160	1	53	0.0	-61.61	406.58	3.22	-58.39
CC[N@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024640160	1	53	0.0	-74.20	408.44	3.29	-70.91
CC1=C[NH+]=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640180	1	47	0.0	-73.75	391.48	5.12	-68.63
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024640185	0	52	0.0	-65.64	385.43	3.18	-62.46
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024640185	1	52	0.0	-61.11	396.35	3.67	-57.44
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024640187	0	55	0.0	-64.90	411.59	3.92	-60.98
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024640187	1	55	0.0	-68.72	420.47	4.59	-64.13
CC1CCC(C)[NH+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640192	0	55	0.0	-71.69	419.65	4.84	-66.85
O=C(CCC[NH+]1CCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640194	0	55	0.0	-75.21	429.89	5.25	-69.96
O=C(CC[NH+]1CCCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640198	0	55	0.0	-68.22	422.27	4.90	-63.32
CC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640201	0	55	0.0	-69.69	406.52	4.29	-65.40
CC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640201	1	55	0.0	-70.47	418.06	4.91	-65.56
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024640281	0	52	0.0	-73.51	407.78	4.76	-68.75
C[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024640281	1	52	0.0	-73.69	407.92	4.77	-68.92
C[NH+]1CCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024640305	0	52	0.0	-78.21	402.14	4.27	-73.94
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640327	0	49	0.0	-54.70	375.35	2.90	-51.80
C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640327	1	49	0.0	-58.38	380.91	3.24	-55.14
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640344	1	51	0.0	-59.24	404.32	4.18	-55.06
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640344	1	51	0.0	-71.61	404.67	4.70	-66.91
C[N@@H+]1CCCC1CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640349	0	55	0.0	-77.57	429.07	5.31	-72.26
C[N@H+]1CCCC1CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640349	1	55	0.0	-64.94	420.09	4.49	-60.45
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640412	0	52	0.0	-68.02	397.82	4.20	-63.82
C[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640412	1	52	0.0	-71.74	400.28	4.27	-67.47
CC1C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024640461	0	52	0.0	-71.99	398.36	3.59	-68.40
CC1C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024640461	1	52	0.0	-70.47	403.19	3.75	-66.72
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640511	0	55	0.0	-66.06	417.72	4.01	-62.05
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640511	1	55	0.0	-70.66	421.81	4.45	-66.21
C[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024640524	0	48	0.0	-69.56	375.29	3.06	-66.50
C=CCC(C)(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024640536	0	55	0.0	-66.56	388.87	3.98	-62.58
O=C(CC[NH+]1CCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640548	0	52	0.0	-68.07	406.59	4.18	-63.89
C[N@H+](CCO)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640556	1	49	0.0	-76.04	389.77	0.21	-75.83
C[N@@H+](CCO)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640556	1	49	0.0	-76.09	389.56	0.23	-75.86
C[N@H+]1CC=C(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024640602	0	53	0.0	-72.90	420.81	5.14	-67.76
C[N@@H+]1CC=C(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024640602	1	53	0.0	-64.74	417.37	4.78	-59.96
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640620	0	53	0.0	-73.24	393.25	-0.31	-73.55
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640620	1	53	0.0	-70.47	395.07	-0.38	-70.85
CC1C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024640646	1	49	0.0	-67.90	389.55	3.51	-64.39
CC[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024640652	0	55	0.0	-63.55	420.87	4.63	-58.92
CC[N@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024640652	1	55	0.0	-73.39	419.87	4.89	-68.50
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300024640663	0	53	0.0	-68.74	413.23	4.90	-63.84
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300024640663	1	53	0.0	-56.93	399.83	4.31	-52.62
O=C(C=CC[NH+]1CCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640684	0	53	0.0	-77.17	422.91	5.21	-71.96
CC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640721	0	48	0.0	-75.56	379.45	3.44	-72.12
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)CN2CC3C=CC2C3)CC1	REAL300024640750	0	51	0.0	-73.72	401.08	4.78	-68.94
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300024640750	1	51	0.0	-74.01	401.12	4.77	-69.24
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300024640750	1	51	0.0	-74.01	401.12	4.77	-69.24
COCCN(C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640825	0	52	0.0	-76.02	411.81	2.63	-73.39
COCC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640825	1	52	0.0	-76.32	412.02	2.61	-73.71
COCC[N@@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640825	1	52	0.0	-76.32	412.02	2.61	-73.71
CC(CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024640828	0	54	0.0	-67.85	411.92	4.20	-63.65
CC[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024640841	0	52	0.0	-71.69	410.79	4.86	-66.83
C[N@@H+]1CC2CC1(C(=O)N1CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024640866	0	50	0.0	-64.78	380.19	3.41	-61.37
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300024640873	0	53	0.0	-59.82	404.66	4.51	-55.31
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300024640873	1	53	0.0	-59.82	404.66	4.51	-55.31
CC(C[NH+](C)C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640886	0	51	0.0	-79.43	397.75	3.89	-75.54
CCN1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640914	0	49	0.0	-72.64	385.60	3.49	-69.15
CC[N@@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640914	1	49	0.0	-73.99	391.91	3.74	-70.25
CC[N@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640914	1	49	0.0	-73.99	391.91	3.74	-70.25
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640920	0	57	0.0	-72.71	421.27	3.45	-69.26
CCCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024640950	0	54	0.0	-72.56	409.64	4.53	-68.03
C[NH+](C)C(C)(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640954	0	51	0.0	-72.61	376.92	3.07	-69.54
CC(CC[NH+](C)C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024640967	0	54	0.0	-79.04	419.37	4.49	-74.55
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641015	0	55	0.0	-71.72	423.32	4.80	-66.92
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641015	1	55	0.0	-71.72	423.32	4.80	-66.92
C[NH+](C)CCCCCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641017	0	57	0.0	-69.28	445.14	5.39	-63.89
CN1CCN(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024641024	0	54	0.0	-73.64	420.75	2.29	-71.35
C[NH+]1CCN(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024641024	1	54	0.0	-73.64	420.75	2.29	-71.35
CC1CN(C)CC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024641065	0	53	0.0	-86.40	415.04	3.51	-82.89
CC1C[N@H+](C)CC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024641065	1	53	0.0	-87.19	407.79	3.10	-84.09
CC1C[N@@H+](C)CC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024641065	1	53	0.0	-87.19	407.79	3.10	-84.09
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641109	0	52	0.0	-71.74	400.28	4.27	-67.47
C[N@@H+]1CCC(=CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024641167	0	50	0.0	-67.77	397.93	4.04	-63.73
C[N@H+]1CCC(=CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024641167	1	50	0.0	-70.44	397.92	4.04	-66.40
O=C(CNC1=CC=[NH+]C=C1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641169	0	48	0.0	-67.67	393.98	1.69	-65.98
[N-]=[N+]=NCC(=O)N1CCCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024641192	0	39	0.0	-26.62	335.24	-1.97	-28.59
C[NH+](C)C1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300024641219	0	55	0.0	-58.67	386.52	2.79	-55.88
CCC1C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024641226	0	52	0.0	-69.14	410.89	4.27	-64.87
C[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641235	0	49	0.0	-66.65	381.42	3.19	-63.46
C[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641235	1	49	0.0	-72.97	380.41	3.33	-69.64
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024641313	0	52	0.0	-73.09	406.36	4.10	-68.99
C[NH+](C)CCC1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024641321	0	55	0.0	-76.39	428.97	5.02	-71.37
C[N@@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641322	0	53	0.0	-72.55	409.19	4.51	-68.04
C[N@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641322	1	53	0.0	-70.24	407.87	4.83	-65.41
C[NH+](C)CCOCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641350	0	52	0.0	-69.99	414.14	3.55	-66.44
[NH2+]=C1SC=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641374	0	45	0.0	-71.60	388.77	2.97	-68.63
C[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024641430	0	52	0.0	-75.12	402.20	4.23	-70.89
C[N@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024641430	1	52	0.0	-75.12	402.20	4.23	-70.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300024641431	0	55	0.0	-59.30	409.26	4.46	-54.84
CN1C=C[N+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024641434	0	47	0.0	-73.16	392.92	6.30	-66.86
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)CN2CCC(O)CC2)CC1	REAL300024641453	0	53	0.0	-80.70	414.92	1.32	-79.38
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCC(O)CC2)CC1	REAL300024641453	1	53	0.0	-80.70	414.92	1.32	-79.38
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024641454	0	49	0.0	-72.42	390.97	4.18	-68.24
CC(CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024641472	0	54	0.0	-67.03	415.46	4.47	-62.56
CN1CCOCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641489	0	53	0.0	-64.01	408.83	2.26	-61.75
C[N@@H+]1CCOCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641489	1	53	0.0	-72.01	409.12	2.30	-69.71
C[N@H+]1CCOCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641489	1	53	0.0	-72.01	409.12	2.30	-69.71
CC1(O)CC[N@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024641550	0	53	0.0	-75.94	418.22	1.20	-74.74
C[NH+]1CC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024641571	0	49	0.0	-75.60	393.13	3.64	-71.96
C[N@H+](CCO)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641594	0	52	0.0	-66.91	408.70	0.45	-66.46
C[N@@H+](CCO)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641594	1	52	0.0	-66.91	408.70	0.45	-66.46
C[N@@H+]1CCCCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641609	0	55	0.0	-68.25	417.71	4.67	-63.58
C[N@H+]1CCCCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641609	1	55	0.0	-68.25	417.71	4.67	-63.58
CC1CCN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641621	0	49	0.0	-73.41	387.48	3.59	-69.82
CC1CC[N@@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641621	1	49	0.0	-73.18	387.46	3.60	-69.58
CC1CC[N@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641621	1	49	0.0	-73.18	387.46	3.60	-69.58
C[NH+](C)CC=CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641627	0	49	0.0	-78.22	396.57	4.01	-74.21
CC1(C)CN(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024641632	0	52	0.0	-76.08	412.13	4.36	-71.72
CC1(C)C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024641632	1	52	0.0	-76.08	412.13	4.36	-71.72
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@H+]2CCCC2CO)CC1	REAL300024641666	0	53	0.0	-67.75	404.04	0.96	-66.79
CC[NH+](CC)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641668	0	51	0.0	-65.37	389.86	3.50	-61.87
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)CN2CCC2)CC1	REAL300024641677	0	46	0.0	-76.16	371.83	3.21	-72.95
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCC2)CC1	REAL300024641677	1	46	0.0	-76.16	371.83	3.21	-72.95
CC[NH+](CC)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641705	0	54	0.0	-69.49	411.87	4.12	-65.37
CC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)N1CCC1	REAL300024641755	0	49	0.0	-68.07	384.51	3.26	-64.81
CC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024641755	1	49	0.0	-68.07	384.51	3.26	-64.81
CCC(CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024641760	0	57	0.0	-69.83	425.42	4.83	-65.00
C[NH+](C)CC(C)(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641765	0	54	0.0	-74.88	393.60	3.72	-71.16
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641794	0	52	0.0	-60.35	399.86	4.03	-56.32
C[NH+](C)CC(O)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641813	0	52	0.0	-71.71	410.98	1.45	-70.26
C=CCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024641833	0	52	0.0	-74.13	402.78	4.32	-69.81
C[NH+]1CCC(C)(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024641844	0	55	0.0	-56.68	401.67	3.70	-52.98
NC(=[NH2+])SCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641865	0	43	0.0	-76.91	369.60	-0.18	-77.09
C[NH+](C)CCC1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024641888	0	55	0.0	-76.39	428.97	5.02	-71.37
C[N@@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641889	0	53	0.0	-70.24	407.87	4.83	-65.41
C[N@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641889	1	53	0.0	-70.24	407.87	4.83	-65.41
CCC1C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024641970	0	52	0.0	-69.14	410.89	4.27	-64.87
C[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024641975	1	49	0.0	-72.97	380.41	3.33	-69.64
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300024641992	0	52	0.0	-60.15	400.01	4.27	-55.88
CC1C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024641997	0	52	0.0	-71.99	398.36	3.59	-68.40
CC1C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024641997	1	52	0.0	-70.47	403.19	3.75	-66.72
CN1CCOCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642025	0	53	0.0	-72.01	409.12	2.30	-69.71
C[N@@H+]1CCOCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642025	1	53	0.0	-64.01	408.83	2.26	-61.75
C[N@H+]1CCOCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642025	1	53	0.0	-72.01	409.12	2.30	-69.71
CCOCC(N=[N+]=[N-])C(=O)N1CCCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024642032	0	49	0.0	-23.99	411.36	-1.04	-25.03
C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642268	0	49	0.0	-73.47	385.90	1.35	-72.12
C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642268	1	49	0.0	-68.35	386.16	1.34	-67.01
C[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024642292	1	50	0.0	-72.32	393.47	0.88	-71.44
C[N@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024642292	1	50	0.0	-78.90	400.38	1.05	-77.85
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642436	0	55	0.0	-69.63	426.60	2.71	-66.92
CC(C)[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642436	1	55	0.0	-65.32	422.78	2.73	-62.59
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642459	1	47	0.0	-67.15	395.89	2.37	-64.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300024642479	0	53	0.0	-74.51	405.02	2.32	-72.19
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024642507	0	52	0.0	-71.60	403.63	2.05	-69.55
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024642507	1	52	0.0	-72.25	409.44	2.03	-70.22
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024642509	0	55	0.0	-71.46	421.09	2.34	-69.12
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024642509	1	55	0.0	-71.54	425.81	2.74	-68.80
CC[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024642514	1	53	0.0	-76.98	418.15	1.71	-75.27
CC[N@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024642514	1	53	0.0	-70.99	411.46	1.56	-69.43
CC1CCC(C)[NH+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642559	0	55	0.0	-66.44	424.69	2.82	-63.62
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CCC[NH+]2CCCC2)CC1	REAL300024642561	0	55	0.0	-71.46	435.80	3.28	-68.18
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCCCC2)CC1	REAL300024642564	0	55	0.0	-71.55	431.12	3.26	-68.29
CC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642567	0	55	0.0	-65.22	425.99	3.02	-62.20
CC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642567	1	55	0.0	-65.18	425.96	3.06	-62.12
C[NH+](C)C1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024642577	0	52	0.0	-70.01	391.86	1.70	-68.31
CC(C)[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024642583	0	54	0.0	-68.18	406.88	2.43	-65.75
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024642601	0	52	0.0	-68.14	413.63	2.80	-65.34
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024642601	1	52	0.0	-68.51	413.77	2.80	-65.71
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642655	1	51	0.0	-66.62	412.69	2.57	-64.05
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642655	1	51	0.0	-68.04	415.30	2.82	-65.22
C[N@@H+]1CCCC1CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642660	0	55	0.0	-72.86	434.92	3.36	-69.50
C[N@H+]1CCCC1CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642660	1	55	0.0	-70.38	429.49	2.89	-67.49
C[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024642676	0	52	0.0	-74.00	411.70	2.38	-71.62
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642703	0	52	0.0	-66.43	407.91	2.39	-64.04
C[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642703	1	52	0.0	-68.84	400.19	2.03	-66.81
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCOCC2)CC1	REAL300024642756	1	53	0.0	-74.80	422.84	0.87	-73.93
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642768	1	47	0.0	-69.70	397.26	3.14	-66.56
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300024642784	0	53	0.0	-65.08	404.06	2.10	-62.98
C[N@@H+]1CCC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024642789	0	52	0.0	-72.51	414.30	2.41	-70.10
C[N@H+]1CCC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024642789	1	52	0.0	-72.47	414.22	2.48	-69.99
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024642795	0	51	0.0	-66.97	392.18	1.61	-65.36
C[NH+](C)CCCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642842	0	54	0.0	-72.96	432.97	2.99	-69.97
CC(C)C(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024642853	0	54	0.0	-68.63	410.28	2.37	-66.26
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642854	0	54	0.0	-72.82	429.13	2.82	-70.00
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642854	1	54	0.0	-72.80	429.16	2.82	-69.98
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642857	0	51	0.0	-70.41	406.73	2.21	-68.20
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642857	1	51	0.0	-70.40	406.73	2.22	-68.18
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300024642870	0	53	0.0	-71.51	401.24	1.69	-69.82
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300024642870	1	53	0.0	-71.64	402.12	1.72	-69.92
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642892	0	49	0.0	-68.74	385.96	1.36	-67.38
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642892	1	49	0.0	-67.11	389.00	1.59	-65.52
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024642919	0	51	0.0	-68.49	403.59	2.15	-66.34
CC1CC[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024642972	0	55	0.0	-70.44	430.15	3.29	-67.15
C[NH+](C)CC1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024642990	0	52	0.0	-69.82	415.48	2.36	-67.46
C[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024643036	0	52	0.0	-74.00	411.70	2.38	-71.62
CC(C)[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024643051	0	54	0.0	-68.67	410.74	2.35	-66.32
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](CC)CC	REAL300024643078	0	57	0.0	-63.96	429.65	2.93	-61.03
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643108	0	51	0.0	-72.09	407.64	2.09	-70.00
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643108	1	51	0.0	-72.12	407.66	2.08	-70.04
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643131	0	52	0.0	-67.41	412.83	2.59	-64.82
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643131	1	52	0.0	-67.43	412.72	2.58	-64.85
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643132	0	52	0.0	-69.49	413.52	2.54	-66.95
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643132	1	52	0.0	-69.52	413.79	2.57	-66.95
CC1(C)CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643134	0	55	0.0	-69.60	432.77	3.05	-66.55
CC1(C)CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643134	1	55	0.0	-69.63	433.06	3.06	-66.57
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024643135	0	57	0.0	-70.27	435.34	3.20	-67.07
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024643135	1	57	0.0	-69.94	437.28	3.35	-66.59
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024643142	0	51	0.0	-66.89	391.88	1.62	-65.27
C[NH+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643214	0	45	0.0	-70.92	367.61	0.80	-70.12
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300024643217	0	55	0.0	-69.50	418.53	2.85	-66.65
CN1C=C[N+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024643220	0	47	0.0	-68.21	398.77	4.33	-63.88
C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643224	0	52	0.0	-71.45	411.51	2.34	-69.11
C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643224	1	52	0.0	-70.85	401.55	2.21	-68.64
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300024643229	0	53	0.0	-68.13	419.23	2.75	-65.38
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300024643229	1	53	0.0	-64.91	416.50	2.98	-61.93
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024643241	0	49	0.0	-67.98	394.56	1.67	-66.31
CCC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024643245	0	57	0.0	-77.54	438.58	3.34	-74.20
C[NH+](C)CC(C)(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643250	0	54	0.0	-69.54	407.20	2.19	-67.35
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1	REAL300024643261	0	53	0.0	-73.80	420.35	-0.66	-74.46
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024643262	0	49	0.0	-67.41	396.85	2.22	-65.19
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024643262	1	49	0.0	-68.03	396.96	2.22	-65.81
C[NH+]1CC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643276	0	49	0.0	-71.81	398.90	1.68	-70.13
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643286	0	55	0.0	-66.45	428.08	2.44	-64.01
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643286	1	55	0.0	-66.30	428.46	2.50	-63.80
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024643296	0	48	0.0	-68.38	384.25	1.21	-67.17
[N-]=[N+]=NCC(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)CC1	REAL300024643303	0	39	0.0	-25.24	344.53	-3.59	-28.83
[NH2+]=C1SC=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643345	0	45	0.0	-66.59	394.56	0.98	-65.61
C[N@H+](CCO)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643350	0	52	0.0	-71.88	418.01	-1.14	-73.02
C[N@@H+](CCO)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643350	1	52	0.0	-71.59	417.93	-1.15	-72.74
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024643351	0	48	0.0	-68.38	384.25	1.21	-67.17
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643354	0	52	0.0	-67.95	396.89	1.85	-66.10
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643354	1	52	0.0	-66.37	407.99	2.39	-63.98
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024643399	1	46	0.0	-70.60	377.66	1.23	-69.37
C[N@@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643413	0	50	0.0	-78.46	405.34	2.36	-76.10
C[N@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643413	1	50	0.0	-74.44	404.44	2.41	-72.03
C[NH+](C)CCOCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643433	0	52	0.0	-74.87	423.44	1.94	-72.93
C=CCC(C)(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024643444	0	55	0.0	-63.71	413.03	2.25	-61.46
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643461	0	53	0.0	-68.31	405.64	-2.05	-70.36
CC1CN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643478	0	49	0.0	-70.35	398.83	1.90	-68.45
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643478	1	49	0.0	-70.35	398.83	1.90	-68.45
CN(CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643495	0	49	0.0	-70.88	395.58	-1.77	-72.65
C[N@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643495	1	49	0.0	-70.42	395.33	-1.75	-72.17
C[N@@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643495	1	49	0.0	-70.42	395.33	-1.75	-72.17
CC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643514	0	55	0.0	-79.76	429.59	3.02	-76.74
CC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643514	1	55	0.0	-79.76	429.59	3.02	-76.74
CC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024643516	0	54	0.0	-72.43	424.91	2.87	-69.56
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643519	0	48	0.0	-70.04	385.23	1.47	-68.57
CC[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024643543	0	52	0.0	-68.57	408.88	2.73	-65.84
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643551	0	54	0.0	-71.33	421.21	2.50	-68.83
CC1(C)CN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643565	0	52	0.0	-70.41	418.15	2.43	-67.98
CC1(C)C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643565	1	52	0.0	-70.41	418.15	2.43	-67.98
CC1(O)CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643581	0	53	0.0	-69.49	423.51	-0.78	-70.27
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643584	0	49	0.0	-79.70	402.43	2.04	-77.66
COCCN(C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643597	0	52	0.0	-70.33	417.62	0.63	-69.70
COCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643597	1	52	0.0	-71.05	417.84	0.63	-70.42
COCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643597	1	52	0.0	-71.05	417.84	0.63	-70.42
C[NH+](C)C1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300024643614	0	55	0.0	-70.19	403.76	2.37	-67.82
CC(CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024643616	0	54	0.0	-73.53	420.90	2.59	-70.94
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643622	0	49	0.0	-69.18	398.11	1.75	-67.43
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@H+]2CCCC2CO)CC1	REAL300024643632	0	53	0.0	-69.27	417.16	-1.10	-70.37
C[NH+]1CCC(C)(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024643648	0	55	0.0	-69.22	414.78	2.29	-66.93
C=CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024643664	0	52	0.0	-68.56	411.29	2.36	-66.20
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643671	0	55	0.0	-70.65	425.18	3.05	-67.60
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643671	1	55	0.0	-70.65	425.18	3.05	-67.60
C[NH+](C)CCCCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643673	0	57	0.0	-72.40	454.47	3.77	-68.63
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300024643678	0	50	0.0	-70.12	403.00	2.70	-67.42
CCCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024643690	0	54	0.0	-68.02	417.12	2.50	-65.52
C[NH+](C)C(C)(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643693	0	51	0.0	-75.17	387.59	1.25	-73.92
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643716	0	52	0.0	-68.84	400.19	2.03	-66.81
C[N@H+]1CC=C(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024643735	0	53	0.0	-69.17	426.68	3.18	-65.99
C[N@@H+]1CC=C(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024643735	1	53	0.0	-69.17	426.68	3.18	-65.99
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C=CC[NH+]2CCCC2)CC1	REAL300024643765	0	53	0.0	-73.40	427.06	3.12	-70.28
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300024643792	0	52	0.0	-71.56	415.90	2.59	-68.97
C[N@@H+]1CC2CC1(C(=O)N1CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024643817	0	50	0.0	-75.80	394.61	1.74	-74.06
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300024643822	0	53	0.0	-67.97	414.62	2.94	-65.03
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300024643822	1	53	0.0	-67.97	414.62	2.94	-65.03
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CN2CC3C=CC2C3)CC1	REAL300024643857	0	51	0.0	-66.81	406.50	2.69	-64.12
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300024643857	1	51	0.0	-68.29	406.70	2.77	-65.52
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300024643857	1	51	0.0	-68.29	406.70	2.77	-65.52
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643887	0	51	0.0	-77.16	404.76	1.89	-75.27
C[N@@H+]1CCCCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643926	0	55	0.0	-64.76	419.30	2.93	-61.83
C[N@H+]1CCCCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643926	1	55	0.0	-64.76	419.30	2.93	-61.83
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643937	0	49	0.0	-68.11	393.90	1.70	-66.41
C[NH+](C)CC(O)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643939	0	52	0.0	-80.75	420.18	-0.12	-80.87
CC1CN(C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024643956	0	53	0.0	-77.88	414.80	1.79	-76.09
CC1C[N@H+](C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024643956	1	53	0.0	-87.09	415.18	1.39	-85.70
CC1C[N@@H+](C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024643956	1	53	0.0	-87.09	415.18	1.39	-85.70
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024643994	0	52	0.0	-71.47	416.72	2.54	-68.93
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024643998	0	54	0.0	-76.91	426.40	2.51	-74.40
CN1CCN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024644013	0	54	0.0	-71.12	426.56	0.30	-70.82
C[NH+]1CCN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024644013	1	54	0.0	-71.12	426.56	0.30	-70.82
C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644183	0	49	0.0	-70.95	387.45	1.46	-69.49
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644183	1	49	0.0	-71.37	387.51	1.48	-69.89
C[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024644209	1	50	0.0	-80.04	404.97	1.38	-78.66
C[N@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024644209	1	50	0.0	-81.53	404.94	1.38	-80.15
O=C(CC[NH+]1CCOCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644357	1	53	0.0	-75.36	422.83	0.91	-74.45
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1	REAL300024644365	0	53	0.0	-71.97	412.19	2.92	-69.05
C[N@@H+]1CCC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024644388	0	52	0.0	-73.01	414.33	2.48	-70.53
C[N@H+]1CCC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024644388	1	52	0.0	-72.96	413.84	2.52	-70.44
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024644394	0	51	0.0	-68.30	397.92	1.91	-66.39
C[NH+](C)CCCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644426	0	54	0.0	-73.26	432.86	3.03	-70.23
CC(C)C(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024644439	0	54	0.0	-70.55	417.80	2.93	-67.62
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644440	0	54	0.0	-73.20	429.09	2.86	-70.34
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644440	1	54	0.0	-73.19	429.16	2.87	-70.32
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644443	0	51	0.0	-71.43	406.80	2.34	-69.09
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644443	1	51	0.0	-71.48	406.77	2.33	-69.15
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300024644456	0	53	0.0	-76.91	408.49	2.25	-74.66
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300024644456	1	53	0.0	-72.30	409.42	2.15	-70.15
CC1CC[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024644481	0	55	0.0	-71.74	430.53	3.41	-68.33
C[NH+](C)CC1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024644518	0	52	0.0	-73.82	419.12	2.69	-71.13
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644535	0	51	0.0	-72.48	407.66	2.12	-70.36
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644535	1	51	0.0	-72.44	407.64	2.14	-70.30
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2C[NH+]3CCC2CC3)CC1	REAL300024644547	0	53	0.0	-74.60	408.91	2.73	-71.87
C[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024644585	0	52	0.0	-74.18	412.16	2.58	-71.60
CC(C)[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024644600	0	54	0.0	-70.34	417.10	2.97	-67.37
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024644663	0	52	0.0	-73.77	402.62	2.40	-71.37
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](CC)CC	REAL300024644690	0	57	0.0	-65.53	430.09	2.92	-62.61
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644699	0	52	0.0	-68.08	406.27	2.31	-65.77
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644699	1	52	0.0	-68.67	412.66	2.68	-65.99
CC(C)[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644726	0	55	0.0	-66.67	426.51	3.02	-63.65
CC(C)[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644726	1	55	0.0	-68.06	415.05	2.86	-65.20
CC(C)[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024644733	0	54	0.0	-69.23	414.97	3.14	-66.09
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024644743	0	52	0.0	-70.46	413.79	2.57	-67.89
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024644743	1	52	0.0	-71.16	413.56	2.64	-68.52
CC1(C)CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024644745	0	55	0.0	-70.58	432.54	3.16	-67.42
CC1(C)CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024644745	1	55	0.0	-70.81	433.07	3.16	-67.65
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024644746	0	57	0.0	-70.98	437.19	3.40	-67.58
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024644746	1	57	0.0	-71.26	437.32	3.47	-67.79
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024644753	0	51	0.0	-68.77	397.78	1.94	-66.83
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644833	1	47	0.0	-67.62	397.00	2.53	-65.09
CC[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024644876	1	53	0.0	-78.32	422.73	2.03	-76.29
CC[N@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024644876	1	53	0.0	-72.11	415.58	1.84	-70.27
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644896	1	47	0.0	-70.80	397.30	3.27	-67.53
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024644901	0	52	0.0	-72.86	405.05	2.14	-70.72
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024644901	1	52	0.0	-72.02	409.59	2.42	-69.60
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024644903	0	55	0.0	-72.62	424.44	2.65	-69.97
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024644903	1	55	0.0	-70.77	428.40	3.17	-67.60
CC1CCC(C)[NH+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644908	0	55	0.0	-67.91	424.70	2.92	-64.99
O=C(CCC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644910	0	55	0.0	-71.61	437.40	3.45	-68.16
O=C(CC[NH+]1CCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644914	0	55	0.0	-71.82	431.09	3.32	-68.50
CC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644917	0	55	0.0	-67.43	427.31	3.14	-64.29
CC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024644917	1	55	0.0	-66.40	427.35	3.15	-63.25
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024644997	0	52	0.0	-69.19	413.64	2.91	-66.28
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024644997	1	52	0.0	-69.67	413.78	2.92	-66.75
C[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024645021	0	52	0.0	-74.18	412.16	2.58	-71.60
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645043	0	49	0.0	-69.82	387.56	1.48	-68.34
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645043	1	49	0.0	-67.56	393.23	1.87	-65.69
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645060	1	51	0.0	-68.70	414.10	2.67	-66.03
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645060	1	51	0.0	-68.94	419.87	3.19	-65.75
C[N@@H+]1CCCC1CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645065	0	55	0.0	-70.28	429.43	2.94	-67.34
C[N@H+]1CCCC1CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645065	1	55	0.0	-71.07	429.48	2.92	-68.15
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645128	0	52	0.0	-69.28	400.21	2.33	-66.95
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645128	1	52	0.0	-69.35	400.22	2.35	-67.00
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024645177	0	52	0.0	-69.30	413.52	2.47	-66.83
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024645177	1	52	0.0	-72.74	405.20	2.08	-70.66
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645227	0	55	0.0	-68.73	408.04	2.37	-66.36
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645227	1	55	0.0	-67.33	429.08	2.65	-64.68
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024645240	0	48	0.0	-70.06	385.72	1.31	-68.75
C=CCC(C)(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024645252	0	55	0.0	-65.88	422.87	2.98	-62.90
O=C(CC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645264	0	52	0.0	-72.02	415.87	2.65	-69.37
C[N@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645272	1	49	0.0	-72.12	395.65	-1.65	-73.77
C[N@@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645272	1	49	0.0	-71.46	395.43	-1.66	-73.12
C[N@H+]1CC=C(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024645318	0	53	0.0	-70.37	426.69	3.24	-67.13
C[N@@H+]1CC=C(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024645318	1	53	0.0	-69.71	426.67	3.24	-66.47
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645336	0	53	0.0	-75.70	416.79	-0.91	-76.61
C[N@H+]1CC(O)CC1(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645336	1	53	0.0	-76.57	413.97	-0.91	-77.48
CC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024645362	1	49	0.0	-71.37	398.51	2.01	-69.36
CC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024645368	0	55	0.0	-65.55	423.48	3.40	-62.15
CC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024645368	1	55	0.0	-65.52	423.51	3.41	-62.11
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300024645379	0	53	0.0	-66.71	425.02	3.45	-63.26
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300024645379	1	53	0.0	-71.34	415.70	3.64	-67.70
O=C(C=CC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645400	0	53	0.0	-74.05	429.87	3.35	-70.70
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645437	0	48	0.0	-71.07	385.27	1.58	-69.49
O=C(CN1CC2C=CC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645466	0	51	0.0	-67.59	406.93	2.80	-64.79
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645466	1	51	0.0	-69.98	406.88	2.89	-67.09
O=C(C[N@H+]1CC2C=CC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645466	1	51	0.0	-69.98	406.88	2.89	-67.09
COCCN(C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645541	0	52	0.0	-71.22	417.68	0.74	-70.48
COCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645541	1	52	0.0	-72.31	417.91	0.75	-71.56
COCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645541	1	52	0.0	-72.31	417.91	0.75	-71.56
CC(CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024645544	0	54	0.0	-71.05	424.85	2.65	-68.40
CC[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024645557	0	52	0.0	-68.49	413.61	2.94	-65.55
C[N@@H+]1CC2CC1(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024645582	0	50	0.0	-73.66	397.80	2.24	-71.42
O=C(C[N@@H+]1CC2CCC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645589	0	53	0.0	-69.41	414.16	3.02	-66.39
O=C(C[N@H+]1CC2CCC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645589	1	53	0.0	-69.41	414.16	3.02	-66.39
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645602	0	51	0.0	-66.51	405.76	2.29	-64.22
CCN1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645630	0	49	0.0	-70.35	399.20	1.89	-68.46
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645630	1	49	0.0	-70.36	399.19	1.89	-68.47
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645630	1	49	0.0	-70.36	399.19	1.89	-68.47
CCC(C)(C)[NH2+]C(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645636	0	57	0.0	-69.99	430.44	1.44	-68.55
CCCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024645666	0	54	0.0	-69.07	419.41	2.69	-66.38
C[NH+](C)C(C)(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645670	0	51	0.0	-72.88	395.03	2.08	-70.80
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645683	0	54	0.0	-72.09	427.61	2.81	-69.28
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645731	0	55	0.0	-70.69	427.95	2.54	-68.15
C[NH+](C)CCCCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645733	0	57	0.0	-72.63	454.36	3.82	-68.81
CN1CCN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024645740	0	54	0.0	-71.97	426.95	0.44	-71.53
C[NH+]1CCN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024645740	1	54	0.0	-71.97	426.95	0.44	-71.53
CC1CN(C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024645781	0	53	0.0	-81.16	418.92	1.68	-79.48
CC1C[N@H+](C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024645781	1	53	0.0	-80.60	426.13	2.11	-78.49
CC1C[N@@H+](C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024645781	1	53	0.0	-80.60	426.13	2.11	-78.49
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645825	0	52	0.0	-69.35	400.22	2.35	-67.00
C[N@@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024645883	0	50	0.0	-74.02	406.41	2.47	-71.55
C[N@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024645883	1	50	0.0	-74.02	406.41	2.47	-71.55
O=C(CNC1=CC=[NH+]C=C1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645885	0	48	0.0	-70.65	403.28	0.19	-70.46
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300024645935	0	55	0.0	-74.67	418.77	3.18	-71.49
CCC1CN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024645942	0	52	0.0	-72.15	420.20	2.78	-69.37
CCC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024645942	1	52	0.0	-72.15	420.20	2.78	-69.37
C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645951	0	49	0.0	-70.97	387.48	1.48	-69.49
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024646029	0	52	0.0	-70.87	417.10	2.65	-68.22
C[NH+](C)CCC1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024646037	0	55	0.0	-75.31	443.22	3.46	-71.85
C[N@@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646038	0	53	0.0	-65.22	413.72	2.91	-62.31
C[N@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646038	1	53	0.0	-65.22	413.72	2.91	-62.31
C[NH+](C)CCOCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646066	0	52	0.0	-71.37	423.37	1.97	-69.40
[NH2+]=C1SC=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646090	0	45	0.0	-67.12	394.64	1.10	-66.02
O=C(C[NH+]1CCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646145	0	52	0.0	-70.94	409.65	2.81	-68.13
C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024646146	0	52	0.0	-71.47	412.14	2.55	-68.92
C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024646146	1	52	0.0	-66.05	405.84	2.76	-63.29
O=C(C[NH+]1CCCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646147	0	55	0.0	-70.59	418.65	2.97	-67.62
CN1C=C[N+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024646150	0	47	0.0	-68.63	398.80	4.43	-64.20
O=C(C[NH+]1CCC(O)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646169	1	53	0.0	-75.16	420.38	-0.56	-75.72
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024646170	0	49	0.0	-68.44	396.83	2.32	-66.12
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024646170	1	49	0.0	-68.97	396.90	2.32	-66.65
CCOCC(N=[N+]=[N-])C(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024646185	0	49	0.0	-23.19	419.49	-2.62	-25.81
CC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024646188	0	54	0.0	-72.83	424.52	2.91	-69.92
C[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646205	1	53	0.0	-68.44	410.66	0.59	-67.85
C[N@H+]1CCOCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646205	1	53	0.0	-77.06	418.17	0.74	-76.32
CC1(O)CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024646266	0	53	0.0	-71.07	423.50	-0.68	-71.75
CC1(O)CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024646266	1	53	0.0	-70.47	423.43	-0.68	-71.15
C[NH+]1CC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024646287	0	49	0.0	-71.55	398.94	1.72	-69.83
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646296	0	45	0.0	-71.81	367.50	0.91	-70.90
C[N@H+](CCO)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646310	0	52	0.0	-72.10	417.99	-1.09	-73.19
C[N@@H+](CCO)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646310	1	52	0.0	-72.17	417.99	-1.11	-73.28
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024646311	0	48	0.0	-70.06	385.72	1.31	-68.75
C[N@@H+]1CCCCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646325	0	55	0.0	-65.88	419.29	2.98	-62.90
C[N@H+]1CCCCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646325	1	55	0.0	-65.88	419.28	2.98	-62.90
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024646335	1	52	0.0	-68.95	416.73	2.62	-66.33
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646337	1	49	0.0	-69.09	393.27	1.73	-67.36
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646337	1	49	0.0	-69.94	398.83	1.99	-67.95
C[NH+](C)CC=CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646343	0	49	0.0	-74.67	404.73	2.17	-72.50
CC1(C)C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024646348	1	52	0.0	-71.98	417.94	2.48	-69.50
O=C(C[N@H+]1CCCC1CO)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646382	0	53	0.0	-70.20	421.65	-0.59	-70.79
O=C(C[N@@H+]1CCCC1CO)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646382	1	53	0.0	-70.45	420.57	-0.52	-70.97
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646384	0	51	0.0	-69.71	403.60	2.27	-67.44
O=C(C[NH+]1CCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646393	1	46	0.0	-71.34	377.64	1.34	-70.00
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646421	0	54	0.0	-71.43	425.45	2.82	-68.61
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024646471	1	49	0.0	-70.32	397.54	1.83	-68.49
CCC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024646476	0	57	0.0	-75.40	442.34	3.52	-71.88
C[NH+](C)CC(C)(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646481	0	54	0.0	-67.05	415.09	2.62	-64.43
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646510	0	52	0.0	-68.70	400.21	2.35	-66.35
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646510	1	52	0.0	-67.54	409.50	2.53	-65.01
C[NH+](C)CC(O)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646529	0	52	0.0	-75.61	420.11	-0.06	-75.67
C=CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024646549	0	52	0.0	-69.75	411.21	2.42	-67.33
C[NH+]1CCC(C)(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024646560	0	55	0.0	-68.76	424.82	2.99	-65.77
NC(=[NH2+])SCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646581	0	43	0.0	-71.91	376.14	-2.23	-74.14
C[NH+](C)CCC1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024646604	0	55	0.0	-72.25	437.96	3.12	-69.13
C[N@@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646605	0	53	0.0	-73.22	418.71	2.91	-70.31
C[N@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646605	1	53	0.0	-73.40	418.70	2.91	-70.49
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646691	0	49	0.0	-68.70	385.83	1.36	-67.34
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646691	1	49	0.0	-68.70	385.83	1.36	-67.34
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024646713	0	52	0.0	-69.54	405.03	1.88	-67.66
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024646713	1	52	0.0	-69.54	405.03	1.88	-67.66
CN1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646741	0	53	0.0	-82.09	418.12	0.66	-81.43
C[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646741	1	53	0.0	-67.83	410.70	0.52	-67.31
C[N@H+]1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646741	1	53	0.0	-67.83	410.70	0.52	-67.31
C[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646954	0	52	0.0	-69.40	409.17	2.38	-67.02
C[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024646954	1	52	0.0	-69.40	409.17	2.38	-67.02
CN1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024646978	0	53	0.0	-81.89	421.13	1.83	-80.06
C[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024646978	1	53	0.0	-81.92	421.10	1.82	-80.10
C[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024646978	1	53	0.0	-81.92	421.10	1.82	-80.10
CC1=NC=CN1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647117	0	50	0.0	-69.14	415.67	3.11	-66.03
CC1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647117	1	50	0.0	-69.14	415.67	3.11	-66.03
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024647135	0	55	0.0	-73.77	427.50	3.07	-70.70
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024647135	1	55	0.0	-73.77	427.50	3.07	-70.70
C[NH+](C)C1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024647155	0	55	0.0	-72.47	411.57	2.43	-70.04
CC(C)[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024647157	0	57	0.0	-71.32	426.36	3.03	-68.29
C[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024647166	0	55	0.0	-70.40	433.43	3.52	-66.88
C[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024647166	1	55	0.0	-70.68	433.50	3.53	-67.15
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024647190	0	55	0.0	-76.03	431.41	3.11	-72.92
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647196	0	55	0.0	-69.16	427.63	3.12	-66.04
C[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647196	1	55	0.0	-72.59	419.92	2.76	-69.83
CC1=C[NH+]=CN1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647213	1	50	0.0	-72.32	417.03	3.87	-68.45
C[N@@H+]1CCC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024647223	0	55	0.0	-74.35	434.06	3.15	-71.20
C[N@H+]1CCC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024647223	1	55	0.0	-74.72	433.93	3.21	-71.51
CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024647226	0	54	0.0	-69.73	415.34	2.46	-67.27
C[NH+](C)CCCCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647240	0	57	0.0	-76.92	452.61	3.71	-73.21
CC(C)C(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024647243	0	57	0.0	-71.18	424.51	3.21	-67.97
CCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647244	0	57	0.0	-75.17	448.86	3.56	-71.61
CCC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647244	1	57	0.0	-75.12	448.81	3.54	-71.58
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647245	0	54	0.0	-72.47	426.51	2.95	-69.52
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647245	1	54	0.0	-72.58	426.51	2.96	-69.62
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647260	0	52	0.0	-69.94	405.67	2.09	-67.85
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647260	1	52	0.0	-69.53	406.95	2.29	-67.24
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647272	0	54	0.0	-70.66	418.85	2.62	-68.04
C[NH+](C)CC1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024647326	0	55	0.0	-74.77	435.19	3.09	-71.68
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024647348	0	55	0.0	-76.03	431.41	3.11	-72.92
CC(C)[C@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024647363	0	57	0.0	-70.03	430.00	3.10	-66.93
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647390	0	54	0.0	-74.41	427.36	2.82	-71.59
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647390	1	54	0.0	-74.34	427.31	2.80	-71.54
CC1CCC[N@@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647400	0	55	0.0	-69.54	431.87	3.31	-66.23
CC1CCC[N@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647400	1	55	0.0	-69.55	432.36	3.30	-66.25
CC1CC[N@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024647401	0	55	0.0	-71.41	432.59	3.23	-68.18
CC1CC[N@@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024647401	1	55	0.0	-71.71	432.97	3.29	-68.42
CC[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024647403	0	54	0.0	-68.91	411.59	2.34	-66.57
C[NH+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647439	0	48	0.0	-74.07	387.24	1.53	-72.54
CN1C=C[N+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024647440	0	50	0.0	-70.74	418.49	5.06	-65.68
C[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024647443	0	55	0.0	-73.72	431.22	3.07	-70.65
C[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024647443	1	55	0.0	-68.82	423.41	3.22	-65.60
CC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024647450	0	52	0.0	-71.43	414.24	2.38	-69.05
C[NH+](C)CC(C)(C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647453	0	57	0.0	-71.58	418.23	2.97	-68.61
C[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024647460	0	52	0.0	-69.56	416.55	2.94	-66.62
C[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024647460	1	52	0.0	-70.18	416.68	2.95	-67.23
C[NH+]1CC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024647471	0	52	0.0	-75.50	418.53	2.40	-73.10
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024647483	0	51	0.0	-70.82	403.97	1.94	-68.88
[N-]=[N+]=NCC(=O)N1CCC(CNC(=O)CSC2=NC(=O)NN2)CC1	REAL300024647490	0	42	0.0	-25.57	364.21	-2.87	-28.44
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024647521	0	51	0.0	-70.82	403.97	1.94	-68.88
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647524	0	55	0.0	-69.76	416.70	2.66	-67.10
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647524	1	55	0.0	-69.13	427.72	3.12	-66.01
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024647551	1	49	0.0	-72.61	397.38	1.96	-70.65
C[N@@H+]1CCC(=CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024647560	0	53	0.0	-77.68	425.06	3.09	-74.59
C[N@H+]1CCC(=CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024647560	1	53	0.0	-75.96	425.01	3.09	-72.87
C[C@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024647578	0	51	0.0	-70.38	403.14	1.91	-68.47
CC1C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024647594	1	52	0.0	-72.60	418.54	2.63	-69.97
C[N@H+](CCO)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647607	1	52	0.0	-73.33	415.36	-1.04	-74.37
C[N@@H+](CCO)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647607	1	52	0.0	-72.65	415.14	-1.03	-73.68
CC(CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024647619	0	57	0.0	-74.73	444.45	3.61	-71.12
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647621	0	51	0.0	-72.11	405.01	2.20	-69.91
CC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647621	1	51	0.0	-72.17	405.01	2.21	-69.96
CC[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024647631	0	55	0.0	-70.62	428.62	3.43	-67.19
CC[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024647631	1	55	0.0	-70.66	428.60	3.46	-67.20
CC[NH+](CC)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647637	0	57	0.0	-75.15	440.85	3.23	-71.92
CC1(C)C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024647645	1	55	0.0	-72.60	437.87	3.16	-69.44
C[NH+](C)CC=CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647652	0	52	0.0	-78.66	423.41	2.81	-75.85
CC(CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024647669	0	57	0.0	-76.64	440.54	3.32	-73.32
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647673	0	52	0.0	-71.87	418.37	2.46	-69.41
CC[N@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647673	1	52	0.0	-71.64	418.42	2.52	-69.12
C=CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024647694	0	55	0.0	-71.35	430.66	3.09	-68.26
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300024647702	0	53	0.0	-72.39	422.72	3.43	-68.96
CCCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024647707	0	57	0.0	-70.67	436.83	3.23	-67.44
C[NH+](C)C(C)(C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647709	0	54	0.0	-71.92	407.90	1.98	-69.94
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647719	0	55	0.0	-69.16	427.63	3.12	-66.04
C[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647719	1	55	0.0	-72.59	419.92	2.76	-69.83
C[NH+](C)C1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024647755	0	52	0.0	-72.77	406.27	1.99	-70.78
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300024647756	0	55	0.0	-73.88	435.58	3.32	-70.56
C[N@@H+]1CC2CC1(C(=O)N1CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024647766	0	53	0.0	-76.23	414.03	2.69	-73.54
C[N@H+]1CC2CC1(C(=O)N1CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024647766	1	53	0.0	-73.69	414.08	2.49	-71.20
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647801	0	54	0.0	-74.47	423.69	2.62	-71.85
CC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024647821	0	55	0.0	-69.83	435.92	3.05	-66.78
CC1CC[N@@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647822	0	52	0.0	-71.14	418.59	2.62	-68.52
CC1CC[N@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647822	1	52	0.0	-70.33	413.67	2.43	-67.90
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024647853	0	55	0.0	-72.74	436.16	3.28	-69.46
CC(CC[NH+](C)C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024647854	0	57	0.0	-75.64	446.11	3.25	-72.39
C[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648023	0	52	0.0	-72.41	407.25	2.19	-70.22
C[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648023	1	52	0.0	-72.48	407.25	2.19	-70.29
C[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024648049	1	53	0.0	-85.87	424.64	2.10	-83.77
C[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024648049	1	53	0.0	-79.77	417.54	1.93	-77.84
C[N@@H+]1CCC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024648199	0	55	0.0	-76.92	433.78	3.24	-73.68
C[N@H+]1CCC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024648199	1	55	0.0	-76.87	433.60	3.23	-73.64
CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024648202	0	54	0.0	-70.77	417.69	2.64	-68.13
C[NH+](C)CCCCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648212	0	57	0.0	-76.32	452.64	3.77	-72.55
CC(C)C(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024648215	0	57	0.0	-73.10	436.90	3.72	-69.38
CCC[N@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648216	0	57	0.0	-76.23	448.81	3.58	-72.65
CCC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648216	1	57	0.0	-76.26	448.87	3.60	-72.66
CCC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648217	0	54	0.0	-74.17	426.51	3.05	-71.12
CCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648217	1	54	0.0	-74.08	426.49	3.05	-71.03
C[NH+](C)CC1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024648256	0	55	0.0	-77.84	438.92	3.38	-74.46
CC[N@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648262	0	54	0.0	-75.38	427.36	2.86	-72.52
CC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648262	1	54	0.0	-75.30	427.31	2.85	-72.45
C[NH+]1CCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024648284	0	55	0.0	-78.62	431.86	3.30	-75.32
CC(C)[C@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024648299	0	57	0.0	-72.44	434.83	3.83	-68.61
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024648321	0	55	0.0	-76.89	421.40	2.79	-74.10
CC1CCC[N@@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648345	0	55	0.0	-70.61	425.97	3.03	-67.58
CC1CCC[N@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648345	1	55	0.0	-71.31	432.59	3.43	-67.88
CC(C)[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024648356	0	57	0.0	-71.18	433.52	4.14	-67.04
CC1CC[N@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024648364	0	55	0.0	-73.42	433.12	3.40	-70.02
CC1CC[N@@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024648364	1	55	0.0	-73.40	432.64	3.40	-70.00
CC[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024648366	0	54	0.0	-70.78	417.69	2.64	-68.14
CC1=[NH+]C=CN1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648403	1	50	0.0	-70.57	416.65	3.24	-67.33
CC1=C[NH+]=CN1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648421	1	50	0.0	-73.89	416.98	3.97	-69.92
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024648422	0	55	0.0	-78.03	423.87	2.61	-75.42
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024648422	1	55	0.0	-75.26	429.28	3.13	-72.13
C[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024648452	0	55	0.0	-71.80	433.43	3.61	-68.19
C[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024648452	1	55	0.0	-72.18	433.40	3.61	-68.57
C[NH+]1CCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024648458	0	55	0.0	-78.62	431.86	3.30	-75.32
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648471	0	52	0.0	-73.99	407.28	2.19	-71.80
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648471	1	52	0.0	-71.15	413.21	2.68	-68.47
C[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648514	0	55	0.0	-70.11	429.21	3.23	-66.88
C[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648514	1	55	0.0	-71.20	419.89	3.07	-68.13
CC1C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024648543	0	55	0.0	-73.59	428.38	2.85	-70.74
CC1C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024648543	1	55	0.0	-72.23	428.41	2.83	-69.40
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024648584	0	51	0.0	-72.12	405.38	2.03	-70.09
O=C(CC[NH+]1CCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648602	0	55	0.0	-74.89	435.61	3.37	-71.52
C[N@H+](CCO)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648607	1	52	0.0	-74.91	415.30	-0.94	-75.85
C[N@@H+](CCO)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648607	1	52	0.0	-74.60	415.14	-0.93	-75.53
CC1C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024648650	1	52	0.0	-74.17	418.55	2.73	-71.44
CC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648682	0	51	0.0	-73.71	404.99	2.32	-71.39
CC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648682	1	51	0.0	-73.74	404.94	2.29	-71.45
CC(CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024648735	0	57	0.0	-74.04	444.63	3.39	-70.65
CC[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024648740	0	55	0.0	-70.84	436.47	3.69	-67.15
CC[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024648740	1	55	0.0	-71.15	433.57	3.61	-67.54
C[N@@H+]1CC2CC1(C(=O)NCC1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024648753	0	53	0.0	-76.49	419.26	2.84	-73.65
C[N@H+]1CC2CC1(C(=O)NCC1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024648753	1	53	0.0	-76.24	419.55	2.84	-73.40
CC(C[NH+](C)C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648762	0	54	0.0	-74.90	425.68	2.92	-71.98
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024648768	0	52	0.0	-76.32	414.03	2.96	-73.36
C[C@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024648778	0	51	0.0	-72.95	405.43	2.04	-70.91
CC[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648781	1	52	0.0	-73.22	411.09	2.50	-70.72
CC[N@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648781	1	52	0.0	-73.37	418.90	2.62	-70.75
NC1=CC=[NH+]C=C1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648792	0	48	0.0	-75.85	395.38	0.13	-75.72
CCCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024648796	0	57	0.0	-71.55	439.19	3.42	-68.13
C[NH+](C)C(C)(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648799	0	54	0.0	-78.31	414.74	2.82	-75.49
CC(CC[NH+](C)C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648808	0	57	0.0	-74.92	447.32	3.55	-71.37
O=C(C[NH+]1CC2CC2C1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648867	0	53	0.0	-74.09	422.60	3.52	-70.57
C[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648875	0	55	0.0	-70.11	429.21	3.23	-66.88
C[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648875	1	55	0.0	-71.20	419.89	3.07	-68.13
C[N@@H+]1CCC(=CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024648900	0	53	0.0	-76.86	426.10	3.18	-73.68
C[N@H+]1CCC(=CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024648900	1	53	0.0	-76.93	426.10	3.18	-73.75
[N-]=[N+]=NCC(=O)NCC1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024648907	0	42	0.0	-24.97	364.25	-2.76	-27.73
CCC1C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024648923	1	55	0.0	-74.94	439.94	3.49	-71.45
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648928	0	52	0.0	-70.55	412.91	2.58	-67.97
C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024648928	1	52	0.0	-72.37	407.20	2.20	-70.17
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024648968	0	55	0.0	-75.53	436.79	3.37	-72.16
O=C(C[NH+]1CCCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649009	0	55	0.0	-73.60	429.36	3.53	-70.07
C[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024649010	0	55	0.0	-67.32	425.57	3.48	-63.84
C[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024649010	1	55	0.0	-74.26	431.82	3.26	-71.00
CN1C=C[N+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024649011	0	50	0.0	-72.37	418.51	5.15	-67.22
C[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024649021	0	52	0.0	-71.29	416.54	3.04	-68.25
C[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024649021	1	52	0.0	-71.61	416.68	3.05	-68.56
CC(CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024649029	0	57	0.0	-79.11	444.42	3.62	-75.49
C[NH+]1CC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024649078	0	52	0.0	-74.31	418.72	2.46	-71.85
C[NH+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649085	0	48	0.0	-74.45	387.28	1.64	-72.81
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024649093	0	51	0.0	-72.12	405.38	2.03	-70.09
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024649107	1	55	0.0	-71.27	436.47	3.34	-67.93
CC1CC[N@@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649108	1	52	0.0	-71.99	413.03	2.47	-69.52
CC1CC[N@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649108	1	52	0.0	-72.72	418.59	2.72	-70.00
C[NH+](C)CC=CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649110	0	52	0.0	-77.65	423.24	2.84	-74.81
CC1(C)C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024649114	1	55	0.0	-74.08	438.09	3.31	-70.77
CC[NH+](CC)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649127	0	54	0.0	-72.44	423.37	3.00	-69.44
O=C(C[NH+]1CCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649132	1	49	0.0	-74.26	397.38	2.06	-72.20
CC[NH+](CC)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649150	0	57	0.0	-74.86	440.88	3.28	-71.58
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024649178	1	52	0.0	-72.81	417.28	2.57	-70.24
C[NH+](C)CC(C)(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649182	0	57	0.0	-74.17	434.47	3.31	-70.86
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649202	0	55	0.0	-71.16	419.85	3.06	-68.10
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649202	1	55	0.0	-71.46	429.21	3.24	-68.22
C=CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024649221	0	55	0.0	-70.20	430.94	3.12	-67.08
NC(=[NH2+])SCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649244	0	46	0.0	-74.78	395.13	-1.43	-76.21
CCC1C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024649299	0	55	0.0	-73.51	439.71	3.35	-70.16
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649303	0	52	0.0	-69.98	412.62	2.46	-67.52
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024649303	1	52	0.0	-71.68	405.71	2.07	-69.61
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300024649310	0	55	0.0	-71.87	428.99	3.41	-68.46
CC1C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024649314	0	55	0.0	-74.42	432.30	2.91	-71.51
CC1C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024649314	1	55	0.0	-71.36	424.51	2.61	-68.75
C[N@@H+]1CCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649520	0	49	0.0	-69.93	389.34	1.59	-68.34
C[N@H+]1CCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649520	1	49	0.0	-70.52	390.19	1.65	-68.87
C[N@@H+]1CCOC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024649544	1	50	0.0	-87.38	400.38	1.06	-86.32
C[N@H+]1CCOC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024649544	1	50	0.0	-80.44	393.49	0.89	-79.55
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649688	0	55	0.0	-69.00	414.48	3.00	-66.00
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649688	1	55	0.0	-69.29	422.24	2.71	-66.58
CC1=[NH+]C=CN1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649711	1	47	0.0	-71.20	396.95	2.42	-68.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024649731	0	53	0.0	-78.02	403.53	2.30	-75.72
C[C@@H]1[C@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024649759	0	52	0.0	-77.72	402.62	1.75	-75.97
C[C@@H]1[C@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024649759	1	52	0.0	-75.92	407.76	2.34	-73.58
CC[C@@H]1[C@@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024649761	0	55	0.0	-77.14	420.23	2.37	-74.77
CC[C@@H]1[C@@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024649761	1	55	0.0	-76.45	425.97	2.69	-73.76
CC[N@@H+]1CCOC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024649766	1	53	0.0	-72.06	411.41	1.54	-70.52
CC[N@H+]1CCOC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024649766	1	53	0.0	-72.01	411.48	1.56	-70.45
CC1CCC(C)[NH+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649811	0	55	0.0	-70.16	424.63	2.83	-67.33
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024649813	0	55	0.0	-75.16	435.82	3.29	-71.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024649816	0	55	0.0	-75.41	431.58	3.30	-72.11
CC[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649819	0	55	0.0	-73.40	418.00	2.71	-70.69
CC[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649819	1	55	0.0	-73.36	417.95	2.69	-70.67
C[NH+](C)C1(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024649829	0	52	0.0	-73.78	392.29	1.78	-72.00
CC(C)[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024649835	0	54	0.0	-71.07	410.03	2.46	-68.61
C[N@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024649853	0	52	0.0	-71.94	413.64	2.80	-69.14
C[N@@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024649853	1	52	0.0	-71.81	413.78	2.80	-69.01
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649907	1	51	0.0	-72.07	412.78	2.55	-69.52
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649907	1	51	0.0	-67.89	420.07	3.05	-64.84
C[N@@H+]1CCCC1CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649912	0	55	0.0	-77.25	434.89	3.35	-73.90
C[N@H+]1CCCC1CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649912	1	55	0.0	-73.42	429.48	2.88	-70.54
C[NH+]1CCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024649928	0	52	0.0	-78.49	411.90	2.39	-76.10
C[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649955	0	52	0.0	-70.37	396.90	1.86	-68.51
C[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024649955	1	52	0.0	-70.62	408.02	2.41	-68.21
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024650008	1	53	0.0	-78.76	422.81	0.88	-77.88
CC1=C[NH+]=CN1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650020	1	47	0.0	-74.14	397.31	3.16	-70.98
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024650036	0	53	0.0	-69.18	405.21	2.14	-67.04
C[N@@H+]1CCC(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650041	0	52	0.0	-77.92	413.90	2.48	-75.44
C[N@H+]1CCC(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650041	1	52	0.0	-77.30	413.86	2.46	-74.84
CCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024650047	0	51	0.0	-71.54	397.70	1.82	-69.72
C[NH+](C)CCCCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650094	0	54	0.0	-76.95	432.91	3.00	-73.95
CC(C)C(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024650105	0	54	0.0	-71.08	410.02	2.46	-68.62
CCC[N@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650106	0	54	0.0	-76.78	429.14	2.83	-73.95
CCC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650106	1	54	0.0	-76.90	429.13	2.83	-74.07
CCC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650109	0	51	0.0	-74.05	406.81	2.24	-71.81
CCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650109	1	51	0.0	-74.12	406.78	2.23	-71.89
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024650122	0	53	0.0	-84.26	398.98	1.55	-82.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024650122	1	53	0.0	-76.19	400.33	1.65	-74.54
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650144	0	49	0.0	-74.63	386.45	1.34	-73.29
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650144	1	49	0.0	-71.12	389.32	1.64	-69.48
CC[NH+](CC)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650171	0	51	0.0	-72.50	403.58	2.18	-70.32
CC1CC[NH+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024650224	0	55	0.0	-74.52	430.16	3.30	-71.22
C[NH+](C)CC1(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024650242	0	52	0.0	-71.25	415.96	2.42	-68.83
C[NH+]1CCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024650288	0	52	0.0	-78.49	411.90	2.39	-76.10
CC(C)[C@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024650303	0	54	0.0	-73.63	407.67	2.46	-71.17
CCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024650330	0	57	0.0	-72.22	428.67	3.03	-69.19
CC[N@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650360	0	51	0.0	-76.00	407.64	2.09	-73.91
CC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650360	1	51	0.0	-76.11	407.63	2.09	-74.02
CC1CCC[N@@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650383	0	52	0.0	-70.47	406.27	2.19	-68.28
CC1CCC[N@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650383	1	52	0.0	-71.45	412.90	2.61	-68.84
CC1CC[N@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650384	0	52	0.0	-73.19	412.91	2.50	-70.69
CC1CC[N@@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650384	1	52	0.0	-73.35	413.58	2.54	-70.81
CC1(C)CC[N@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650386	0	55	0.0	-73.58	433.09	3.06	-70.52
CC1(C)CC[N@@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650386	1	55	0.0	-73.47	433.12	3.07	-70.40
C[N@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024650387	0	57	0.0	-74.20	435.38	3.21	-70.99
C[N@@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024650387	1	57	0.0	-73.72	437.33	3.37	-70.35
CC[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024650394	0	51	0.0	-71.79	398.90	1.95	-69.84
C[NH+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650466	0	45	0.0	-74.50	367.55	0.82	-73.68
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024650469	0	55	0.0	-72.98	418.54	2.86	-70.12
CN1C=C[N+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024650472	0	47	0.0	-72.42	398.81	4.32	-68.10
C[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650476	0	52	0.0	-69.97	401.60	2.22	-67.75
C[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650476	1	52	0.0	-68.97	403.59	2.49	-66.48
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024650481	0	53	0.0	-68.54	418.14	2.96	-65.58
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024650481	1	53	0.0	-68.23	417.43	2.95	-65.28
CC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024650493	1	49	0.0	-71.55	386.38	1.36	-70.19
CCC(CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024650497	0	57	0.0	-79.52	442.38	3.51	-76.01
C[NH+](C)CC(C)(C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650502	0	54	0.0	-70.68	405.70	2.05	-68.63
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024650513	1	53	0.0	-78.84	420.40	-0.66	-79.50
C[N@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024650514	0	49	0.0	-70.94	396.81	2.23	-68.71
C[N@@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024650514	1	49	0.0	-71.43	396.94	2.23	-69.20
C[NH+]1CC(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650528	0	49	0.0	-74.72	398.84	1.69	-73.03
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650538	0	55	0.0	-70.09	428.36	2.49	-67.60
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650538	1	55	0.0	-69.42	411.28	1.89	-67.53
C[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024650548	0	48	0.0	-71.58	383.95	1.20	-70.38
[N-]=[N+]=NCC(=O)N1CCCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024650555	0	39	0.0	-27.12	344.51	-3.57	-30.69
[NH2+]=C1SC=CN1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650597	0	45	0.0	-70.72	394.61	0.99	-69.73
C[N@H+](CCO)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650602	0	52	0.0	-76.10	417.99	-1.13	-77.23
C[N@@H+](CCO)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650602	1	52	0.0	-75.07	417.94	-1.12	-76.19
C[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024650603	0	48	0.0	-71.58	383.95	1.20	-70.38
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650606	0	52	0.0	-71.21	397.01	1.93	-69.28
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650606	1	52	0.0	-68.33	406.85	2.34	-65.99
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024650651	1	46	0.0	-74.17	377.90	1.27	-72.90
C[N@@H+]1CCC(=CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650665	0	50	0.0	-79.75	405.33	2.35	-77.40
C[N@H+]1CCC(=CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650665	1	50	0.0	-80.41	405.34	2.38	-78.03
C[NH+](C)CCOCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650685	0	52	0.0	-76.36	423.42	1.94	-74.42
C=CCC(C)(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024650696	0	55	0.0	-67.73	413.22	2.30	-65.43
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650713	0	53	0.0	-69.74	406.29	-1.97	-71.71
CC1CN(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650730	0	49	0.0	-74.20	398.84	1.90	-72.30
CC1C[NH+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650730	1	49	0.0	-74.20	398.84	1.90	-72.30
CN(CCO)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650747	0	49	0.0	-75.18	395.63	-1.74	-76.92
C[N@H+](CCO)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650747	1	49	0.0	-74.79	395.41	-1.76	-76.55
C[N@@H+](CCO)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650747	1	49	0.0	-74.79	395.41	-1.76	-76.55
CC[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650766	0	55	0.0	-72.99	421.42	3.17	-69.82
CC[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650766	1	55	0.0	-72.99	421.42	3.17	-69.82
CC(CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024650768	0	54	0.0	-76.61	424.74	2.89	-73.72
CC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650771	0	48	0.0	-73.76	385.28	1.49	-72.27
CC[N@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024650795	0	52	0.0	-72.63	408.89	2.74	-69.89
CC[NH+](CC)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650803	0	54	0.0	-75.10	425.49	2.80	-72.30
CC1(C)CN(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650817	0	52	0.0	-74.34	418.15	2.43	-71.91
CC1(C)C[NH+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650817	1	52	0.0	-74.34	418.15	2.43	-71.91
CC1(O)CC[N@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024650833	0	53	0.0	-74.80	423.94	-0.78	-75.58
C[NH+](C)CC=CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650836	0	49	0.0	-82.10	402.46	2.04	-80.06
COCCN(C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650849	0	52	0.0	-74.70	417.66	0.65	-74.05
COCC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650849	1	52	0.0	-75.45	417.89	0.66	-74.79
COCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650849	1	52	0.0	-75.45	417.89	0.66	-74.79
C[NH+](C)C1(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024650866	0	55	0.0	-75.41	411.89	2.26	-73.15
CC(CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024650868	0	54	0.0	-78.35	421.19	2.60	-75.75
CCN1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650874	0	49	0.0	-73.58	398.67	1.74	-71.84
CC[N@@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650874	1	49	0.0	-71.67	390.70	1.46	-70.21
CC[N@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650874	1	49	0.0	-71.67	390.70	1.46	-70.21
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024650884	0	53	0.0	-72.94	417.17	-1.11	-74.05
C[NH+]1CCC(C)(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024650900	0	55	0.0	-76.32	415.93	2.30	-74.02
C=CCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024650916	0	52	0.0	-68.76	408.98	2.20	-66.56
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650923	0	55	0.0	-73.15	425.91	2.47	-70.68
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650923	1	55	0.0	-73.15	425.91	2.47	-70.68
C[NH+](C)CCCCCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650925	0	57	0.0	-76.08	454.41	3.79	-72.29
CCCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024650942	0	54	0.0	-70.19	417.26	2.49	-67.70
C[NH+](C)C(C)(C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650945	0	51	0.0	-76.99	388.37	1.36	-75.63
C[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024650968	0	52	0.0	-70.62	408.02	2.41	-68.21
C[N@H+]1CC=C(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024650987	0	53	0.0	-71.27	426.67	3.18	-68.09
C[N@@H+]1CC=C(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024650987	1	53	0.0	-71.27	426.67	3.18	-68.09
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024651017	0	53	0.0	-80.90	427.08	3.12	-77.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024651044	0	52	0.0	-75.53	415.87	2.60	-72.93
C[N@@H+]1CC2CC1(C(=O)N1CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024651069	0	50	0.0	-72.46	394.81	1.89	-70.57
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024651074	0	53	0.0	-70.69	411.69	2.73	-67.96
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024651074	1	53	0.0	-70.69	411.69	2.73	-67.96
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CN2CC3C=CC2C3)C1	REAL300024651109	0	51	0.0	-72.21	407.18	2.80	-69.41
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024651109	1	51	0.0	-72.27	406.86	2.78	-69.49
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024651109	1	51	0.0	-72.27	406.86	2.78	-69.49
CC(C[NH+](C)C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651139	0	51	0.0	-77.79	406.72	2.00	-75.79
C[N@@H+]1CCCCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651178	0	55	0.0	-77.51	426.65	3.04	-74.47
C[N@H+]1CCCCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651178	1	55	0.0	-65.57	419.31	2.92	-62.65
CC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024651187	0	52	0.0	-66.74	415.31	2.36	-64.38
CC1CC[N@@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651189	1	49	0.0	-72.60	398.86	1.90	-70.70
CC1CC[N@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651189	1	49	0.0	-72.54	398.84	1.89	-70.65
C[NH+](C)CC(O)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651191	0	52	0.0	-79.48	420.16	-0.10	-79.58
CC1C[N@H+](C)CC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024651208	1	53	0.0	-81.08	414.72	1.63	-79.45
CC1C[N@@H+](C)CC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024651208	1	53	0.0	-88.64	414.32	1.36	-87.28
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024651246	0	52	0.0	-76.61	416.68	2.57	-74.04
CC(CC[NH+](C)C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651250	0	54	0.0	-77.93	428.38	2.63	-75.30
C[NH+]1CCN(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024651265	1	54	0.0	-75.05	426.57	0.31	-74.74
C[N@@H+]1CCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651435	0	49	0.0	-73.91	387.55	1.47	-72.44
C[N@H+]1CCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651435	1	49	0.0	-74.06	387.55	1.48	-72.58
C[N@@H+]1CCOC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024651461	1	50	0.0	-80.31	397.82	1.21	-79.10
C[N@H+]1CCOC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024651461	1	50	0.0	-76.57	397.86	1.20	-75.37
O=C(CC[NH+]1CCOCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651609	1	53	0.0	-78.30	422.81	0.92	-77.38
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024651617	0	53	0.0	-77.79	412.12	2.91	-74.88
C[N@@H+]1CCC(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024651640	0	52	0.0	-77.46	414.08	2.52	-74.94
C[N@H+]1CCC(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024651640	1	52	0.0	-76.08	413.72	2.54	-73.54
CCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024651646	0	51	0.0	-71.84	401.33	2.53	-69.31
C[NH+](C)CCCCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651678	0	54	0.0	-77.87	432.91	3.05	-74.82
CC(C)C(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024651691	0	54	0.0	-70.87	411.18	2.35	-68.52
CCC[N@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651692	0	54	0.0	-76.66	429.18	2.86	-73.80
CCC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651692	1	54	0.0	-76.62	429.14	2.88	-73.74
CCC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651695	0	51	0.0	-73.50	406.77	2.34	-71.16
CCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651695	1	51	0.0	-73.37	406.78	2.34	-71.03
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024651708	0	53	0.0	-84.69	408.39	2.23	-82.46
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024651708	1	53	0.0	-75.97	409.26	2.15	-73.82
CC1CC[NH+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024651733	0	55	0.0	-74.19	430.11	3.41	-70.78
C[NH+](C)CC1(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024651770	0	52	0.0	-79.37	419.45	2.70	-76.67
CC[N@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651787	0	51	0.0	-75.87	407.68	2.12	-73.75
CC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651787	1	51	0.0	-75.82	407.64	2.13	-73.69
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024651799	0	53	0.0	-82.82	408.79	2.71	-80.11
C[NH+]1CCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024651837	0	52	0.0	-79.65	412.14	2.59	-77.06
CC(C)[C@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024651852	0	54	0.0	-72.41	411.12	2.34	-70.07
C[NH+](C)C1(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024651915	0	52	0.0	-79.71	404.96	2.25	-77.46
CCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024651942	0	57	0.0	-66.66	433.71	3.22	-63.44
CC1CCC[N@@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651951	0	52	0.0	-71.10	412.89	2.71	-68.39
CC1CCC[N@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651951	1	52	0.0	-70.02	406.25	2.30	-67.72
CC(C)[N@@H+]1CCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651978	0	55	0.0	-71.52	415.14	2.89	-68.63
CC(C)[N@H+]1CCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651978	1	55	0.0	-68.39	425.89	2.95	-65.44
CC(C)[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024651985	0	54	0.0	-70.61	413.13	2.45	-68.16
CC1CC[N@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024651995	0	52	0.0	-73.01	412.97	2.66	-70.35
CC1CC[N@@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024651995	1	52	0.0	-72.49	412.87	2.60	-69.89
CC1(C)CC[N@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024651997	0	55	0.0	-73.07	432.81	3.16	-69.91
CC1(C)CC[N@@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024651997	1	55	0.0	-73.16	432.99	3.16	-70.00
C[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024651998	0	57	0.0	-73.50	435.39	3.33	-70.17
C[N@@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024651998	1	57	0.0	-73.18	437.17	3.41	-69.77
CC[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024652005	0	51	0.0	-69.52	398.17	1.91	-67.61
CC1=[NH+]C=CN1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652085	1	47	0.0	-69.70	396.98	2.54	-67.16
CC[N@@H+]1CCOC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024652128	1	53	0.0	-85.76	422.77	2.03	-83.73
CC[N@H+]1CCOC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024652128	1	53	0.0	-76.11	415.65	1.84	-74.27
CC1=C[NH+]=CN1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652148	1	47	0.0	-72.51	396.25	3.23	-69.28
C[C@@H]1[C@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024652153	0	52	0.0	-78.48	404.18	1.90	-76.58
C[C@@H]1[C@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024652153	1	52	0.0	-76.02	409.63	2.41	-73.61
CC[C@@H]1[C@@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024652155	0	55	0.0	-75.47	424.51	2.61	-72.86
CC[C@@H]1[C@@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024652155	1	55	0.0	-75.04	429.76	2.94	-72.10
CC1CCC(C)[NH+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652160	0	55	0.0	-70.35	424.72	2.93	-67.42
O=C(CCC[NH+]1CCCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652162	0	55	0.0	-75.28	437.37	3.45	-71.83
O=C(CC[NH+]1CCCCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652166	0	55	0.0	-75.21	431.09	3.31	-71.90
CC[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652169	0	55	0.0	-69.56	417.88	2.99	-66.57
CC[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652169	1	55	0.0	-70.28	417.91	3.00	-67.28
C[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024652249	0	52	0.0	-71.25	413.64	2.90	-68.35
C[N@@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024652249	1	52	0.0	-71.59	413.78	2.92	-68.67
C[NH+]1CCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024652273	0	52	0.0	-79.65	412.14	2.59	-77.06
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652295	0	49	0.0	-71.96	387.57	1.46	-70.50
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652295	1	49	0.0	-70.10	393.30	1.97	-68.13
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652312	1	51	0.0	-72.32	414.23	2.71	-69.61
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652312	1	51	0.0	-71.23	420.04	3.19	-68.04
C[N@@H+]1CCCC1CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652317	0	55	0.0	-79.16	435.02	3.40	-75.76
C[N@H+]1CCCC1CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652317	1	55	0.0	-73.41	429.50	2.94	-70.47
C[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652380	0	52	0.0	-71.41	400.17	2.34	-69.07
C[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652380	1	52	0.0	-71.47	400.22	2.35	-69.12
CC1C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024652429	0	52	0.0	-72.55	408.78	2.11	-70.44
CC1C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024652429	1	52	0.0	-75.47	405.29	2.09	-73.38
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652479	0	55	0.0	-72.46	408.72	2.41	-70.05
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652479	1	55	0.0	-70.34	429.06	2.64	-67.70
C[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024652492	0	48	0.0	-71.63	385.62	1.31	-70.32
C=CCC(C)(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024652504	0	55	0.0	-77.47	419.27	2.72	-74.75
O=C(CC[NH+]1CCCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652516	0	52	0.0	-75.39	415.91	2.64	-72.75
C[N@H+](CCO)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652524	1	49	0.0	-74.61	395.63	-1.65	-76.26
C[N@@H+](CCO)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652524	1	49	0.0	-74.44	395.41	-1.66	-76.10
C[N@H+]1CC=C(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024652570	0	53	0.0	-72.15	426.69	3.24	-68.91
C[N@@H+]1CC=C(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024652570	1	53	0.0	-69.84	426.69	3.23	-66.61
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652588	0	53	0.0	-79.11	415.76	-1.00	-80.11
C[N@H+]1CC(O)CC1(C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652588	1	53	0.0	-82.45	415.12	-1.01	-83.46
CC1C[NH+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024652614	1	49	0.0	-74.34	397.41	2.03	-72.31
CC[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024652620	0	55	0.0	-65.51	423.52	3.41	-62.10
CC[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024652620	1	55	0.0	-65.53	423.54	3.41	-62.12
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024652631	0	53	0.0	-77.70	412.47	3.50	-74.20
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024652631	1	53	0.0	-73.23	418.10	2.80	-70.43
O=C(C=CC[NH+]1CCCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652652	0	53	0.0	-78.01	429.85	3.35	-74.66
CC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652689	0	48	0.0	-73.17	385.27	1.58	-71.59
O=C(CN1CC2C=CC1C2)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652718	0	51	0.0	-69.22	407.14	2.81	-66.41
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652718	1	51	0.0	-72.01	406.62	2.88	-69.13
O=C(C[N@H+]1CC2C=CC1C2)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652718	1	51	0.0	-72.01	406.62	2.88	-69.13
COCCN(C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652793	0	52	0.0	-74.24	417.66	0.74	-73.50
COCC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652793	1	52	0.0	-74.96	417.88	0.76	-74.20
COCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652793	1	52	0.0	-74.96	417.88	0.76	-74.20
CC(CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024652796	0	54	0.0	-79.64	420.89	2.65	-76.99
CC[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024652809	0	52	0.0	-70.82	413.61	2.94	-67.88
C[N@@H+]1CC2CC1(C(=O)NC1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024652834	0	50	0.0	-79.65	397.69	2.27	-77.38
O=C(C[N@@H+]1CC2CCC1C2)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652841	0	53	0.0	-71.83	414.40	3.04	-68.79
O=C(C[N@H+]1CC2CCC1C2)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652841	1	53	0.0	-71.83	414.40	3.04	-68.79
CC(C[NH+](C)C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652854	0	51	0.0	-75.49	405.92	2.18	-73.31
CCN1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652882	0	49	0.0	-71.18	392.09	1.56	-69.62
CC[N@@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652882	1	49	0.0	-73.45	399.21	1.89	-71.56
CC[N@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652882	1	49	0.0	-73.45	399.21	1.89	-71.56
CCC(C)(C)[NH2+]C(C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652888	0	57	0.0	-69.60	432.90	1.50	-68.10
CCCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024652918	0	54	0.0	-71.35	422.76	3.28	-68.07
C[NH+](C)C(C)(C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652922	0	51	0.0	-80.02	395.29	2.01	-78.01
CC(CC[NH+](C)C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652935	0	54	0.0	-75.80	427.62	2.80	-73.00
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652983	0	55	0.0	-71.32	427.88	2.53	-68.79
C[NH+](C)CCCCCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024652985	0	57	0.0	-77.25	454.41	3.84	-73.41
CN1CCN(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024652992	0	54	0.0	-73.43	426.53	0.40	-73.03
C[NH+]1CCN(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024652992	1	54	0.0	-73.43	426.53	0.40	-73.03
CC1CN(C)CC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024653033	0	53	0.0	-89.73	426.10	2.11	-87.62
CC1C[N@H+](C)CC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024653033	1	53	0.0	-77.14	418.99	1.95	-75.19
CC1C[N@@H+](C)CC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024653033	1	53	0.0	-77.14	418.99	1.95	-75.19
C[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653077	0	52	0.0	-71.47	400.22	2.35	-69.12
C[N@@H+]1CCC(=CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024653135	0	50	0.0	-77.66	406.36	2.45	-75.21
C[N@H+]1CCC(=CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024653135	1	50	0.0	-77.66	406.36	2.45	-75.21
O=C(CNC1=CC=[NH+]C=C1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653137	0	48	0.0	-75.29	403.29	0.19	-75.10
[N-]=[N+]=NCC(=O)NC1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024653160	0	39	0.0	-26.76	344.48	-3.49	-30.25
C[NH+](C)C1(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024653187	0	55	0.0	-80.97	419.07	3.19	-77.78
CCC1C[NH+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024653194	1	52	0.0	-74.54	420.17	2.76	-71.78
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653203	0	49	0.0	-70.28	393.52	1.95	-68.33
C[N@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653203	1	49	0.0	-72.10	387.51	1.46	-70.64
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024653281	0	52	0.0	-76.24	417.09	2.65	-73.59
C[NH+](C)CCC1(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024653289	0	55	0.0	-81.07	442.81	3.46	-77.61
C[N@@H+]1CC=CCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653290	0	53	0.0	-77.98	418.76	2.97	-75.01
C[N@H+]1CC=CCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653290	1	53	0.0	-78.05	418.79	2.98	-75.07
C[NH+](C)CCOCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653318	0	52	0.0	-74.73	423.38	1.97	-72.76
[NH2+]=C1SC=CN1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653342	0	45	0.0	-69.39	394.62	1.10	-68.29
C[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024653398	0	52	0.0	-74.77	412.10	2.51	-72.26
C[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024653398	1	52	0.0	-74.77	412.10	2.51	-72.26
O=C(C[NH+]1CCCCCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653399	0	55	0.0	-72.45	418.54	2.96	-69.49
CN1C=C[N+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024653402	0	47	0.0	-70.93	398.78	4.43	-66.50
O=C(CN1CCC(O)CC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653421	0	53	0.0	-78.94	420.74	-0.55	-79.49
O=C(C[NH+]1CCC(O)CC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653421	1	53	0.0	-78.94	420.74	-0.55	-79.49
C[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024653422	0	49	0.0	-71.17	396.98	2.32	-68.85
CC(CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024653440	0	54	0.0	-80.94	424.65	2.88	-78.06
CN1CCOCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653457	0	53	0.0	-70.12	410.67	0.59	-69.53
C[N@@H+]1CCOCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653457	1	53	0.0	-67.78	410.67	0.59	-67.19
C[N@H+]1CCOCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653457	1	53	0.0	-67.78	410.67	0.59	-67.19
CC1(O)CC[N@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024653518	0	53	0.0	-72.27	423.52	-0.67	-72.94
C[NH+]1CC(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024653539	0	49	0.0	-74.51	398.96	1.72	-72.79
C[N@H+](CCO)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653562	0	52	0.0	-74.87	417.95	-1.10	-75.97
C[N@@H+](CCO)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653562	1	52	0.0	-74.87	417.95	-1.10	-75.97
C[N@@H+]1CCCCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653577	0	55	0.0	-66.93	419.29	2.98	-63.95
C[N@H+]1CCCCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653577	1	55	0.0	-66.93	419.29	2.98	-63.95
CC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300024653587	0	52	0.0	-71.41	415.04	2.63	-68.78
CC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024653587	1	52	0.0	-71.41	415.04	2.63	-68.78
CC1CCN1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653589	0	49	0.0	-71.32	393.30	1.73	-69.59
CC1CC[N@@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653589	1	49	0.0	-72.81	398.93	2.00	-70.81
CC1CC[N@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653589	1	49	0.0	-72.81	398.93	2.00	-70.81
C[NH+](C)CC=CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653595	0	49	0.0	-79.66	404.80	2.18	-77.48
O=C(C[N@H+]1CCCC1CO)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653634	0	53	0.0	-73.37	420.57	-0.54	-73.91
CC[NH+](CC)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653636	0	51	0.0	-71.70	399.13	2.00	-69.70
O=C(CN1CCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653645	0	46	0.0	-73.96	377.81	1.38	-72.58
O=C(C[NH+]1CCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653645	1	46	0.0	-73.96	377.81	1.38	-72.58
CC[NH+](CC)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653673	0	54	0.0	-75.49	421.14	2.55	-72.94
CC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300024653723	0	49	0.0	-71.18	395.71	1.99	-69.19
CC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024653723	1	49	0.0	-71.18	395.71	1.99	-69.19
CCC(CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024653728	0	57	0.0	-81.77	443.25	3.53	-78.24
C[NH+](C)CC(C)(C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653733	0	54	0.0	-74.82	414.71	2.58	-72.24
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653762	0	52	0.0	-69.44	409.54	2.52	-66.92
C[NH+](C)CC(O)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653781	0	52	0.0	-80.25	420.25	-0.10	-80.35
C=CCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024653801	0	52	0.0	-72.27	414.20	2.59	-69.68
C[NH+]1CCC(C)(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024653812	0	55	0.0	-74.37	424.81	2.99	-71.38
NC(=[NH2+])SCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653833	0	43	0.0	-78.80	375.46	-2.14	-80.94
C[NH+](C)CCC1(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024653856	0	55	0.0	-80.63	438.95	3.15	-77.48
C[N@@H+]1CC=CCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653857	0	53	0.0	-78.52	418.64	2.93	-75.59
C[N@H+]1CC=CCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653857	1	53	0.0	-78.52	418.64	2.93	-75.59
CCC1C[NH+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024653938	0	52	0.0	-75.18	420.20	2.66	-72.52
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653943	1	49	0.0	-71.66	386.16	1.35	-70.31
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024653960	0	52	0.0	-73.68	409.28	2.68	-71.00
CC1C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024653965	0	52	0.0	-72.14	408.46	2.12	-70.02
CC1C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024653965	1	52	0.0	-72.28	404.97	1.88	-70.40
CN1CCOCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653993	0	53	0.0	-80.70	418.08	0.68	-80.02
C[N@@H+]1CCOCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653993	1	53	0.0	-71.78	410.67	0.54	-71.24
C[N@H+]1CCOCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653993	1	53	0.0	-80.70	418.08	0.68	-80.02
CCOCC(N=[N+]=[N-])C(=O)N1CCCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024654000	0	49	0.0	-25.02	417.89	-3.02	-28.04
C[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654206	0	52	0.0	-72.41	407.25	2.19	-70.22
C[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654206	1	52	0.0	-72.48	407.25	2.19	-70.29
C[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654230	1	53	0.0	-85.87	424.64	2.10	-83.77
C[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654230	1	53	0.0	-79.77	417.54	1.93	-77.84
CC1=[NH+]C=CN1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654369	1	50	0.0	-70.57	416.65	3.24	-67.33
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024654387	0	55	0.0	-78.03	423.87	2.61	-75.42
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024654387	1	55	0.0	-75.26	429.28	3.13	-72.13
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024654407	0	55	0.0	-76.89	421.40	2.79	-74.10
CC(C)[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024654409	0	57	0.0	-71.18	433.52	4.14	-67.04
C[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024654418	0	55	0.0	-71.80	433.43	3.61	-68.19
C[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024654418	1	55	0.0	-72.18	433.40	3.61	-68.57
C[NH+]1CCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024654442	0	55	0.0	-78.62	431.86	3.30	-75.32
C[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654448	0	55	0.0	-70.11	429.21	3.23	-66.88
C[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654448	1	55	0.0	-71.20	419.89	3.07	-68.13
CC1=C[NH+]=CN1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654465	1	50	0.0	-73.89	416.98	3.97	-69.92
C[N@@H+]1CCC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654475	0	55	0.0	-76.92	433.78	3.24	-73.68
C[N@H+]1CCC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654475	1	55	0.0	-76.87	433.60	3.23	-73.64
CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024654478	0	54	0.0	-70.77	417.69	2.64	-68.13
C[NH+](C)CCCCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654492	0	57	0.0	-76.32	452.64	3.77	-72.55
CC(C)C(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024654495	0	57	0.0	-73.10	436.90	3.72	-69.38
CCC[N@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654496	0	57	0.0	-76.23	448.81	3.58	-72.65
CCC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654496	1	57	0.0	-76.26	448.87	3.60	-72.66
CCC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654497	0	54	0.0	-74.17	426.51	3.05	-71.12
CCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654497	1	54	0.0	-74.08	426.49	3.05	-71.03
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654512	0	52	0.0	-73.99	407.28	2.19	-71.80
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654512	1	52	0.0	-71.15	413.21	2.68	-68.47
CC[NH+](CC)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654524	0	54	0.0	-72.44	423.37	3.00	-69.44
C[NH+](C)CC1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024654578	0	55	0.0	-77.84	438.92	3.38	-74.46
C[NH+]1CCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024654600	0	55	0.0	-78.62	431.86	3.30	-75.32
CC(C)[C@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024654615	0	57	0.0	-72.44	434.83	3.83	-68.61
CC[N@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654642	0	54	0.0	-75.38	427.36	2.86	-72.52
CC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654642	1	54	0.0	-75.30	427.31	2.85	-72.45
CC1CCC[N@@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654652	0	55	0.0	-70.61	425.97	3.03	-67.58
CC1CCC[N@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654652	1	55	0.0	-71.31	432.59	3.43	-67.88
CC1CC[N@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654653	0	55	0.0	-73.42	433.12	3.40	-70.02
CC1CC[N@@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654653	1	55	0.0	-73.40	432.64	3.40	-70.00
CC[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024654655	0	54	0.0	-70.78	417.69	2.64	-68.14
C[NH+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654691	0	48	0.0	-74.45	387.28	1.64	-72.81
CN1C=C[N+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024654692	0	50	0.0	-72.37	418.51	5.15	-67.22
C[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654695	0	55	0.0	-67.32	425.57	3.48	-63.84
C[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654695	1	55	0.0	-74.26	431.82	3.26	-71.00
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024654702	1	52	0.0	-72.81	417.28	2.57	-70.24
C[NH+](C)CC(C)(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654705	0	57	0.0	-74.17	434.47	3.31	-70.86
C[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024654712	0	52	0.0	-71.29	416.54	3.04	-68.25
C[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024654712	1	52	0.0	-71.61	416.68	3.05	-68.56
C[NH+]1CC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654723	0	52	0.0	-74.31	418.72	2.46	-71.85
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024654735	0	51	0.0	-72.12	405.38	2.03	-70.09
[N-]=[N+]=NCC(=O)NCC1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024654742	0	42	0.0	-24.97	364.25	-2.76	-27.73
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024654773	0	51	0.0	-72.12	405.38	2.03	-70.09
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654776	0	55	0.0	-71.16	419.85	3.06	-68.10
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654776	1	55	0.0	-71.46	429.21	3.24	-68.22
O=C(C[NH+]1CCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654803	1	49	0.0	-74.26	397.38	2.06	-72.20
C[N@@H+]1CCC(=CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654812	0	53	0.0	-76.86	426.10	3.18	-73.68
C[N@H+]1CCC(=CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654812	1	53	0.0	-76.93	426.10	3.18	-73.75
C[C@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024654830	0	51	0.0	-72.95	405.43	2.04	-70.91
CC1C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654846	1	52	0.0	-74.17	418.55	2.73	-71.44
C[N@H+](CCO)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654859	1	52	0.0	-74.91	415.30	-0.94	-75.85
C[N@@H+](CCO)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654859	1	52	0.0	-74.60	415.14	-0.93	-75.53
CC(CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024654871	0	57	0.0	-79.11	444.42	3.62	-75.49
CC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654873	0	51	0.0	-73.71	404.99	2.32	-71.39
CC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654873	1	51	0.0	-73.74	404.94	2.29	-71.45
CC[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024654883	0	55	0.0	-70.84	436.47	3.69	-67.15
CC[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024654883	1	55	0.0	-71.15	433.57	3.61	-67.54
CC[NH+](CC)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654889	0	57	0.0	-74.86	440.88	3.28	-71.58
CC1(C)C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024654897	1	55	0.0	-74.08	438.09	3.31	-70.77
C[NH+](C)CC=CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654904	0	52	0.0	-77.65	423.24	2.84	-74.81
CC(CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024654921	0	57	0.0	-74.04	444.63	3.39	-70.65
CC[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654925	1	52	0.0	-73.22	411.09	2.50	-70.72
CC[N@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654925	1	52	0.0	-73.37	418.90	2.62	-70.75
C=CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024654946	0	55	0.0	-70.20	430.94	3.12	-67.08
O=C(C[NH+]1CC2CC2C1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654954	0	53	0.0	-74.09	422.60	3.52	-70.57
CCCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024654959	0	57	0.0	-71.55	439.19	3.42	-68.13
C[NH+](C)C(C)(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654961	0	54	0.0	-78.31	414.74	2.82	-75.49
C[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654971	0	55	0.0	-70.11	429.21	3.23	-66.88
C[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024654971	1	55	0.0	-71.20	419.89	3.07	-68.13
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024655007	0	52	0.0	-76.32	414.03	2.96	-73.36
O=C(CC[NH+]1CCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655008	0	55	0.0	-74.89	435.61	3.37	-71.52
C[N@@H+]1CC2CC1(C(=O)NCC1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024655018	0	53	0.0	-76.49	419.26	2.84	-73.65
C[N@H+]1CC2CC1(C(=O)NCC1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024655018	1	53	0.0	-76.24	419.55	2.84	-73.40
CC(C[NH+](C)C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655053	0	54	0.0	-74.90	425.68	2.92	-71.98
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024655073	1	55	0.0	-71.27	436.47	3.34	-67.93
CC1CC[N@@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655074	1	52	0.0	-71.99	413.03	2.47	-69.52
CC1CC[N@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655074	1	52	0.0	-72.72	418.59	2.72	-70.00
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024655105	0	55	0.0	-75.53	436.79	3.37	-72.16
CC(CC[NH+](C)C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655106	0	57	0.0	-74.92	447.32	3.55	-71.37
C[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655275	0	52	0.0	-72.73	405.84	2.08	-70.65
C[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655275	1	52	0.0	-69.40	409.17	2.38	-67.02
C[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024655301	1	53	0.0	-81.89	421.13	1.83	-80.06
C[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024655301	1	53	0.0	-81.92	421.10	1.82	-80.10
C[N@@H+]1CCC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024655451	0	55	0.0	-74.35	434.06	3.15	-71.20
C[N@H+]1CCC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024655451	1	55	0.0	-74.72	433.93	3.21	-71.51
CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024655454	0	54	0.0	-69.73	415.34	2.46	-67.27
C[NH+](C)CCCCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655464	0	57	0.0	-76.92	452.61	3.71	-73.21
CC(C)C(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024655467	0	57	0.0	-71.18	424.51	3.21	-67.97
CCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655468	0	57	0.0	-75.17	448.86	3.56	-71.61
CCC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655468	1	57	0.0	-75.12	448.81	3.54	-71.58
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655469	0	54	0.0	-72.47	426.51	2.95	-69.52
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655469	1	54	0.0	-72.58	426.51	2.96	-69.62
C[NH+](C)CC1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024655508	0	55	0.0	-74.77	435.19	3.09	-71.68
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655514	0	54	0.0	-74.41	427.36	2.82	-71.59
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655514	1	54	0.0	-74.34	427.31	2.80	-71.54
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024655536	0	55	0.0	-76.03	431.41	3.11	-72.92
CC(C)[C@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024655551	0	57	0.0	-70.03	430.00	3.10	-66.93
C[NH+](C)C1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024655573	0	55	0.0	-72.47	411.57	2.43	-70.04
CC1CCC[N@@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655597	0	55	0.0	-69.54	431.87	3.31	-66.23
CC1CCC[N@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655597	1	55	0.0	-69.55	432.36	3.30	-66.25
CC(C)[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024655608	0	57	0.0	-71.32	426.36	3.03	-68.29
CC1CC[N@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024655616	0	55	0.0	-71.41	432.59	3.23	-68.18
CC1CC[N@@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024655616	1	55	0.0	-71.71	432.97	3.29	-68.42
CC[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024655618	0	54	0.0	-68.91	411.59	2.34	-66.57
CC1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655655	1	50	0.0	-69.14	415.67	3.11	-66.03
CC1=C[NH+]=CN1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655673	1	50	0.0	-72.32	417.03	3.87	-68.45
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024655674	0	55	0.0	-76.79	422.98	2.52	-74.27
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024655674	1	55	0.0	-73.77	427.50	3.07	-70.70
C[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024655704	0	55	0.0	-70.40	433.43	3.52	-66.88
C[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024655704	1	55	0.0	-70.68	433.50	3.53	-67.15
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024655710	0	55	0.0	-76.03	431.41	3.11	-72.92
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655723	0	52	0.0	-69.94	405.67	2.09	-67.85
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655723	1	52	0.0	-69.53	406.95	2.29	-67.24
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655766	0	55	0.0	-69.16	427.63	3.12	-66.04
C[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655766	1	55	0.0	-72.59	419.92	2.76	-69.83
CC1C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024655795	0	55	0.0	-74.42	432.30	2.91	-71.51
CC1C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024655795	1	55	0.0	-71.36	424.51	2.61	-68.75
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024655836	0	51	0.0	-70.82	403.97	1.94	-68.88
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300024655854	0	55	0.0	-73.88	435.58	3.32	-70.56
C[N@H+](CCO)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655859	1	52	0.0	-73.33	415.36	-1.04	-74.37
C[N@@H+](CCO)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655859	1	52	0.0	-72.65	415.14	-1.03	-73.68
CC1C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024655902	1	52	0.0	-72.60	418.54	2.63	-69.97
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655934	0	51	0.0	-72.11	405.01	2.20	-69.91
CC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024655934	1	51	0.0	-72.17	405.01	2.21	-69.96
CC(CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024655987	0	57	0.0	-76.64	440.54	3.32	-73.32
CC[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024655992	0	55	0.0	-70.62	428.62	3.43	-67.19
CC[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024655992	1	55	0.0	-70.66	428.60	3.46	-67.20
C[N@@H+]1CC2CC1(C(=O)N1CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024656005	0	53	0.0	-76.23	414.03	2.69	-73.54
C[N@H+]1CC2CC1(C(=O)N1CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024656005	1	53	0.0	-73.69	414.08	2.49	-71.20
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656014	0	54	0.0	-74.47	423.69	2.62	-71.85
C[NH+](C)C1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024656020	0	52	0.0	-72.77	406.27	1.99	-70.78
C[C@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024656030	0	51	0.0	-70.38	403.14	1.91	-68.47
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656033	0	52	0.0	-71.87	418.37	2.46	-69.41
CC[N@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656033	1	52	0.0	-71.64	418.42	2.52	-69.12
NC1=CC=[NH+]C=C1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656044	0	48	0.0	-75.38	399.13	-0.48	-75.86
CCCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024656048	0	57	0.0	-70.67	436.83	3.23	-67.44
C[NH+](C)C(C)(C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656051	0	54	0.0	-71.92	407.90	1.98	-69.94
CC(CC[NH+](C)C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656060	0	57	0.0	-75.64	446.11	3.25	-72.39
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300024656119	0	53	0.0	-72.39	422.72	3.43	-68.96
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656127	0	55	0.0	-69.16	427.63	3.12	-66.04
C[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656127	1	55	0.0	-72.59	419.92	2.76	-69.83
C[N@@H+]1CCC(=CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024656152	0	53	0.0	-77.68	425.06	3.09	-74.59
C[N@H+]1CCC(=CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024656152	1	53	0.0	-75.96	425.01	3.09	-72.87
[N-]=[N+]=NCC(=O)N1CCC(CNC(=O)CSC2=NC(=O)NN2)CC1	REAL300024656159	0	42	0.0	-25.57	364.21	-2.87	-28.44
CCC1C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024656175	0	55	0.0	-73.51	439.71	3.35	-70.16
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656180	0	52	0.0	-69.98	412.62	2.46	-67.52
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656180	1	52	0.0	-71.68	405.71	2.07	-69.61
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024656220	0	55	0.0	-72.74	436.16	3.28	-69.46
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300024656261	0	55	0.0	-71.87	428.99	3.41	-68.46
C[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024656262	0	55	0.0	-73.72	431.22	3.07	-70.65
C[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024656262	1	55	0.0	-68.82	423.41	3.22	-65.60
CN1C=C[N+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024656263	0	50	0.0	-70.74	418.49	5.06	-65.68
C[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024656273	0	52	0.0	-69.56	416.55	2.94	-66.62
C[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024656273	1	52	0.0	-70.18	416.68	2.95	-67.23
CC(CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024656281	0	57	0.0	-74.73	444.45	3.61	-71.12
C[NH+]1CC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024656330	0	52	0.0	-75.50	418.53	2.40	-73.10
C[NH+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656337	0	48	0.0	-74.07	387.24	1.53	-72.54
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024656345	0	51	0.0	-70.82	403.97	1.94	-68.88
CC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024656359	0	55	0.0	-69.83	435.92	3.05	-66.78
CC1CC[N@@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656360	0	52	0.0	-71.14	418.59	2.62	-68.52
CC1CC[N@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656360	1	52	0.0	-70.33	413.67	2.43	-67.90
C[NH+](C)CC=CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656362	0	52	0.0	-78.66	423.41	2.81	-75.85
CC1(C)C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024656366	1	55	0.0	-72.60	437.87	3.16	-69.44
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656379	0	54	0.0	-70.66	418.85	2.62	-68.04
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024656384	1	49	0.0	-72.61	397.38	1.96	-70.65
CC[NH+](CC)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656402	0	57	0.0	-75.15	440.85	3.23	-71.92
CC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024656430	0	52	0.0	-71.43	414.24	2.38	-69.05
C[NH+](C)CC(C)(C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656434	0	57	0.0	-71.58	418.23	2.97	-68.61
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656454	0	55	0.0	-69.76	416.70	2.66	-67.10
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656454	1	55	0.0	-69.13	427.72	3.12	-66.01
C=CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024656473	0	55	0.0	-71.35	430.66	3.09	-68.26
NC(=[NH2+])SCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656496	0	46	0.0	-76.04	395.20	-1.41	-77.45
CCC1C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024656551	1	55	0.0	-74.94	439.94	3.49	-71.45
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656555	0	52	0.0	-70.55	412.91	2.58	-67.97
C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656555	1	52	0.0	-72.37	407.20	2.20	-70.17
O=C(C[NH+]1CCCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656562	0	55	0.0	-73.60	429.36	3.53	-70.07
CC1C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024656566	0	55	0.0	-73.59	428.38	2.85	-70.74
CC1C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024656566	1	55	0.0	-72.23	428.41	2.83	-69.40
C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656772	0	49	0.0	-70.95	387.45	1.46	-69.49
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656772	1	49	0.0	-71.37	387.51	1.48	-69.89
C[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024656796	1	50	0.0	-80.04	404.97	1.38	-78.66
C[N@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024656796	1	50	0.0	-81.53	404.94	1.38	-80.15
CC(C)[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656940	0	55	0.0	-66.67	426.51	3.02	-63.65
CC(C)[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656940	1	55	0.0	-68.06	415.05	2.86	-65.20
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024656963	1	47	0.0	-67.62	397.00	2.53	-65.09
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2C[NH+]3CCC2CC3)CC1	REAL300024656983	0	53	0.0	-74.60	408.91	2.73	-71.87
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024657011	0	52	0.0	-72.86	405.05	2.14	-70.72
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024657011	1	52	0.0	-72.02	409.59	2.42	-69.60
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024657013	0	55	0.0	-72.62	424.44	2.65	-69.97
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024657013	1	55	0.0	-70.77	428.40	3.17	-67.60
CC[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657018	1	53	0.0	-78.32	422.73	2.03	-76.29
CC[N@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657018	1	53	0.0	-72.11	415.58	1.84	-70.27
CC1CCC(C)[NH+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657063	0	55	0.0	-67.91	424.70	2.92	-64.99
O=C(CCC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657065	0	55	0.0	-71.61	437.40	3.45	-68.16
O=C(CC[NH+]1CCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657068	0	55	0.0	-71.82	431.09	3.32	-68.50
CC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657071	0	55	0.0	-67.43	427.31	3.14	-64.29
CC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657071	1	55	0.0	-66.40	427.35	3.15	-63.25
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024657081	0	52	0.0	-73.77	402.62	2.40	-71.37
CC(C)[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024657087	0	54	0.0	-69.23	414.97	3.14	-66.09
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024657105	0	52	0.0	-69.19	413.64	2.91	-66.28
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024657105	1	52	0.0	-69.67	413.78	2.92	-66.75
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657159	1	51	0.0	-68.70	414.10	2.67	-66.03
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657159	1	51	0.0	-68.94	419.87	3.19	-65.75
C[N@@H+]1CCCC1CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657164	0	55	0.0	-70.28	429.43	2.94	-67.34
C[N@H+]1CCCC1CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657164	1	55	0.0	-71.07	429.48	2.92	-68.15
C[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024657180	0	52	0.0	-74.18	412.16	2.58	-71.60
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657207	0	52	0.0	-69.28	400.21	2.33	-66.95
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657207	1	52	0.0	-69.35	400.22	2.35	-67.00
O=C(CC[NH+]1CCOCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657260	1	53	0.0	-75.36	422.83	0.91	-74.45
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657272	1	47	0.0	-70.80	397.30	3.27	-67.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1	REAL300024657288	0	53	0.0	-71.97	412.19	2.92	-69.05
C[N@@H+]1CCC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657293	0	52	0.0	-73.01	414.33	2.48	-70.53
C[N@H+]1CCC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657293	1	52	0.0	-72.96	413.84	2.52	-70.44
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024657299	0	51	0.0	-68.30	397.92	1.91	-66.39
C[NH+](C)CCCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657346	0	54	0.0	-73.26	432.86	3.03	-70.23
CC(C)C(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024657357	0	54	0.0	-70.55	417.80	2.93	-67.62
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657358	0	54	0.0	-73.20	429.09	2.86	-70.34
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657358	1	54	0.0	-73.19	429.16	2.87	-70.32
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657361	0	51	0.0	-71.43	406.80	2.34	-69.09
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657361	1	51	0.0	-71.48	406.77	2.33	-69.15
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300024657374	0	53	0.0	-76.91	408.49	2.25	-74.66
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300024657374	1	53	0.0	-72.30	409.42	2.15	-70.15
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657396	0	49	0.0	-69.82	387.56	1.48	-68.34
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657396	1	49	0.0	-67.56	393.23	1.87	-65.69
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657423	0	51	0.0	-69.71	403.60	2.27	-67.44
CC1CC[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024657476	0	55	0.0	-71.74	430.53	3.41	-68.33
C[NH+](C)CC1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024657494	0	52	0.0	-73.82	419.12	2.69	-71.13
C[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024657540	0	52	0.0	-74.18	412.16	2.58	-71.60
CC(C)[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024657555	0	54	0.0	-70.34	417.10	2.97	-67.37
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](CC)CC	REAL300024657582	0	57	0.0	-65.53	430.09	2.92	-62.61
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657612	0	51	0.0	-72.48	407.66	2.12	-70.36
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657612	1	51	0.0	-72.44	407.64	2.14	-70.30
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657635	0	52	0.0	-68.08	406.27	2.31	-65.77
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657635	1	52	0.0	-68.67	412.66	2.68	-65.99
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657636	0	52	0.0	-70.46	413.79	2.57	-67.89
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657636	1	52	0.0	-71.16	413.56	2.64	-68.52
CC1(C)CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657638	0	55	0.0	-70.58	432.54	3.16	-67.42
CC1(C)CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657638	1	55	0.0	-70.81	433.07	3.16	-67.65
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024657639	0	57	0.0	-70.98	437.19	3.40	-67.58
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024657639	1	57	0.0	-71.26	437.32	3.47	-67.79
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024657646	0	51	0.0	-68.77	397.78	1.94	-66.83
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657718	0	45	0.0	-71.81	367.50	0.91	-70.90
O=C(C[NH+]1CCCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657721	0	55	0.0	-70.59	418.65	2.97	-67.62
CN1C=C[N+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024657724	0	47	0.0	-68.63	398.80	4.43	-64.20
C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657728	0	52	0.0	-71.47	412.14	2.55	-68.92
C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657728	1	52	0.0	-66.05	405.84	2.76	-63.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300024657733	0	53	0.0	-66.71	425.02	3.45	-63.26
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300024657733	1	53	0.0	-71.34	415.70	3.64	-67.70
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024657745	1	49	0.0	-70.32	397.54	1.83	-68.49
CCC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024657749	0	57	0.0	-75.40	442.34	3.52	-71.88
C[NH+](C)CC(C)(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657754	0	54	0.0	-67.05	415.09	2.62	-64.43
O=C(C[NH+]1CCC(O)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657765	1	53	0.0	-75.16	420.38	-0.56	-75.72
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024657766	0	49	0.0	-68.44	396.83	2.32	-66.12
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024657766	1	49	0.0	-68.97	396.90	2.32	-66.65
C[NH+]1CC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657780	0	49	0.0	-71.55	398.94	1.72	-69.83
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657790	0	55	0.0	-68.73	408.04	2.37	-66.36
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657790	1	55	0.0	-67.33	429.08	2.65	-64.68
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024657800	0	48	0.0	-70.06	385.72	1.31	-68.75
[N-]=[N+]=NCC(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024657807	0	39	0.0	-23.70	344.50	-3.49	-27.19
[NH2+]=C1SC=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657849	0	45	0.0	-67.12	394.64	1.10	-66.02
C[N@H+](CCO)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657854	0	52	0.0	-72.10	417.99	-1.09	-73.19
C[N@@H+](CCO)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657854	1	52	0.0	-72.17	417.99	-1.11	-73.28
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024657855	0	48	0.0	-70.06	385.72	1.31	-68.75
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657858	0	52	0.0	-68.70	400.21	2.35	-66.35
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657858	1	52	0.0	-67.54	409.50	2.53	-65.01
O=C(C[NH+]1CCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657903	1	46	0.0	-71.34	377.64	1.34	-70.00
C[N@@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657917	0	50	0.0	-74.40	406.39	2.47	-71.93
C[N@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657917	1	50	0.0	-74.02	406.41	2.47	-71.55
C[NH+](C)CCOCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657937	0	52	0.0	-71.37	423.37	1.97	-69.40
C=CCC(C)(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024657948	0	55	0.0	-65.88	422.87	2.98	-62.90
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657965	0	53	0.0	-76.57	413.97	-0.91	-77.48
CC1CN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657982	0	49	0.0	-71.37	398.51	2.01	-69.36
CC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024657982	1	49	0.0	-71.37	398.51	2.01	-69.36
CN(CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657999	0	49	0.0	-72.12	395.65	-1.65	-73.77
C[N@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657999	1	49	0.0	-71.46	395.43	-1.66	-73.12
C[N@@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024657999	1	49	0.0	-71.46	395.43	-1.66	-73.12
CC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024658018	0	55	0.0	-65.52	423.51	3.41	-62.11
CC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024658018	1	55	0.0	-65.52	423.51	3.41	-62.11
CC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024658020	0	54	0.0	-72.83	424.52	2.91	-69.92
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658023	0	48	0.0	-71.07	385.27	1.58	-69.49
CC[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024658047	0	52	0.0	-68.49	413.61	2.94	-65.55
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658055	0	54	0.0	-71.43	425.45	2.82	-68.61
CC1(C)CN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024658069	0	52	0.0	-71.98	417.94	2.48	-69.50
CC1(C)C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024658069	1	52	0.0	-71.98	417.94	2.48	-69.50
CC1(O)CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024658085	0	53	0.0	-70.47	423.43	-0.68	-71.15
C[NH+](C)CC=CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658088	0	49	0.0	-74.67	404.73	2.17	-72.50
COCCN(C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658101	0	52	0.0	-71.22	417.68	0.74	-70.48
COCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658101	1	52	0.0	-72.31	417.91	0.75	-71.56
COCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658101	1	52	0.0	-72.31	417.91	0.75	-71.56
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300024658118	0	55	0.0	-74.67	418.77	3.18	-71.49
CC(CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024658120	0	54	0.0	-71.05	424.85	2.65	-68.40
CCN1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658126	0	49	0.0	-70.35	399.20	1.89	-68.46
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658126	1	49	0.0	-70.36	399.19	1.89	-68.47
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658126	1	49	0.0	-70.36	399.19	1.89	-68.47
O=C(C[N@H+]1CCCC1CO)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658136	0	53	0.0	-70.45	420.57	-0.52	-70.97
C[NH+]1CCC(C)(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024658152	0	55	0.0	-68.76	424.82	2.99	-65.77
C=CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024658168	0	52	0.0	-69.75	411.21	2.42	-67.33
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658175	0	55	0.0	-69.13	427.45	2.63	-66.50
C[N@H+]1CC(C)(C)CC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658175	1	55	0.0	-70.69	427.95	2.54	-68.15
C[NH+](C)CCCCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658177	0	57	0.0	-72.63	454.36	3.82	-68.81
O=C(C[NH+]1CC2CC2C1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658182	0	50	0.0	-71.39	402.87	2.81	-68.58
CCCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024658194	0	54	0.0	-69.07	419.41	2.69	-66.38
C[NH+](C)C(C)(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658197	0	51	0.0	-72.88	395.03	2.08	-70.80
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658220	0	52	0.0	-69.28	400.21	2.33	-66.95
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658220	1	52	0.0	-69.35	400.22	2.35	-67.00
C[N@H+]1CC=C(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024658239	0	53	0.0	-70.37	426.69	3.24	-67.13
C[N@@H+]1CC=C(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024658239	1	53	0.0	-69.71	426.67	3.24	-66.47
O=C(C=CC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658269	0	53	0.0	-74.05	429.87	3.35	-70.70
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024658295	0	49	0.0	-74.54	389.88	2.60	-71.94
O=C(CC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658296	0	52	0.0	-72.02	415.87	2.65	-69.37
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2C[NH+]3CCN2CC3)CC1	REAL300024658317	0	52	0.0	-75.71	403.81	-0.62	-76.33
C[N@@H+]1CC2CC1(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024658321	0	50	0.0	-72.36	398.17	2.17	-70.19
C[N@H+]1CC2CC1(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024658321	1	50	0.0	-73.66	397.80	2.24	-71.42
O=C(C[N@@H+]1CC2CCC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658326	0	53	0.0	-69.23	414.29	3.03	-66.20
O=C(C[N@H+]1CC2CCC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658326	1	53	0.0	-69.41	414.16	3.02	-66.39
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658361	1	51	0.0	-67.59	406.93	2.80	-64.79
O=C(C[N@H+]1CC2C=CC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658361	1	51	0.0	-69.98	406.88	2.89	-67.09
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658391	0	51	0.0	-66.51	405.76	2.29	-64.22
C[N@@H+]1CCCCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658430	0	55	0.0	-65.88	419.29	2.98	-62.90
C[N@H+]1CCCCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658430	1	55	0.0	-65.88	419.28	2.98	-62.90
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024658439	1	52	0.0	-68.95	416.73	2.62	-66.33
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658441	1	49	0.0	-69.09	393.27	1.73	-67.36
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658441	1	49	0.0	-69.94	398.83	1.99	-67.95
C[NH+](C)CC(O)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658443	0	52	0.0	-75.61	420.11	-0.06	-75.67
CC1C[N@H+](C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024658460	1	53	0.0	-81.16	418.92	1.68	-79.48
CC1C[N@@H+](C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024658460	1	53	0.0	-80.60	426.13	2.11	-78.49
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024658498	0	52	0.0	-70.87	417.10	2.65	-68.22
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658502	0	54	0.0	-72.09	427.61	2.81	-69.28
C[NH+]1CCN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024658517	1	54	0.0	-71.97	426.95	0.44	-71.53
C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658687	0	49	0.0	-73.47	385.90	1.35	-72.12
C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658687	1	49	0.0	-68.35	386.16	1.34	-67.01
C[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024658713	1	50	0.0	-72.32	393.47	0.88	-71.44
C[N@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024658713	1	50	0.0	-78.90	400.38	1.05	-77.85
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCOCC2)CC1	REAL300024658861	1	53	0.0	-74.80	422.84	0.87	-73.93
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300024658869	0	53	0.0	-65.08	404.06	2.10	-62.98
C[N@@H+]1CCC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024658892	0	52	0.0	-72.51	414.30	2.41	-70.10
C[N@H+]1CCC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024658892	1	52	0.0	-72.47	414.22	2.48	-69.99
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024658898	0	51	0.0	-66.97	392.18	1.61	-65.36
C[NH+](C)CCCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658930	0	54	0.0	-72.96	432.97	2.99	-69.97
CC(C)C(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024658943	0	54	0.0	-68.63	410.28	2.37	-66.26
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658944	0	54	0.0	-72.82	429.13	2.82	-70.00
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658944	1	54	0.0	-72.80	429.16	2.82	-69.98
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658947	0	51	0.0	-70.41	406.73	2.21	-68.20
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024658947	1	51	0.0	-70.40	406.73	2.22	-68.18
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300024658960	0	53	0.0	-71.51	401.24	1.69	-69.82
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300024658960	1	53	0.0	-71.64	402.12	1.72	-69.92
CC1CC[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024658985	0	55	0.0	-70.44	430.15	3.29	-67.15
C[NH+](C)CC1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024659022	0	52	0.0	-69.82	415.48	2.36	-67.46
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659039	0	51	0.0	-72.09	407.64	2.09	-70.00
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659039	1	51	0.0	-72.12	407.66	2.08	-70.04
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300024659051	0	53	0.0	-74.51	405.02	2.32	-72.19
C[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024659089	0	52	0.0	-74.00	411.70	2.38	-71.62
CC(C)[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024659104	0	54	0.0	-68.67	410.74	2.35	-66.32
C[NH+](C)C1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024659167	0	52	0.0	-70.01	391.86	1.70	-68.31
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](CC)CC	REAL300024659194	0	57	0.0	-63.96	429.65	2.93	-61.03
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659203	0	52	0.0	-67.41	412.83	2.59	-64.82
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659203	1	52	0.0	-67.43	412.72	2.58	-64.85
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659230	0	55	0.0	-69.63	426.60	2.71	-66.92
CC(C)[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659230	1	55	0.0	-65.32	422.78	2.73	-62.59
CC(C)[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024659237	0	54	0.0	-68.18	406.88	2.43	-65.75
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024659247	0	52	0.0	-69.49	413.52	2.54	-66.95
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024659247	1	52	0.0	-69.52	413.79	2.57	-66.95
CC1(C)CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024659249	0	55	0.0	-69.60	432.77	3.05	-66.55
CC1(C)CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024659249	1	55	0.0	-69.63	433.06	3.06	-66.57
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024659250	0	57	0.0	-70.27	435.34	3.20	-67.07
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300024659250	1	57	0.0	-69.94	437.28	3.35	-66.59
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024659257	0	51	0.0	-66.89	391.88	1.62	-65.27
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659337	1	47	0.0	-67.15	395.89	2.37	-64.78
CC[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024659380	1	53	0.0	-76.98	418.15	1.71	-75.27
CC[N@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024659380	1	53	0.0	-70.99	411.46	1.56	-69.43
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659400	1	47	0.0	-69.70	397.26	3.14	-66.56
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024659405	0	52	0.0	-71.60	403.63	2.05	-69.55
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024659405	1	52	0.0	-72.25	409.44	2.03	-70.22
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024659407	0	55	0.0	-71.46	421.09	2.34	-69.12
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024659407	1	55	0.0	-71.54	425.81	2.74	-68.80
CC1CCC(C)[NH+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659412	0	55	0.0	-66.44	424.69	2.82	-63.62
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CCC[NH+]2CCCC2)CC1	REAL300024659414	0	55	0.0	-71.46	435.80	3.28	-68.18
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCCCC2)CC1	REAL300024659418	0	55	0.0	-71.55	431.12	3.26	-68.29
CC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659421	0	55	0.0	-65.22	425.99	3.02	-62.20
CC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659421	1	55	0.0	-65.18	425.96	3.06	-62.12
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024659501	0	52	0.0	-68.14	413.63	2.80	-65.34
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024659501	1	52	0.0	-68.51	413.77	2.80	-65.71
C[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024659525	0	52	0.0	-74.00	411.70	2.38	-71.62
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659547	0	49	0.0	-68.74	385.96	1.36	-67.38
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659547	1	49	0.0	-67.11	389.00	1.59	-65.52
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659564	1	51	0.0	-66.62	412.69	2.57	-64.05
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659564	1	51	0.0	-68.04	415.30	2.82	-65.22
C[N@@H+]1CCCC1CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659569	0	55	0.0	-72.86	434.92	3.36	-69.50
C[N@H+]1CCCC1CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659569	1	55	0.0	-70.38	429.49	2.89	-67.49
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659632	0	52	0.0	-66.43	407.91	2.39	-64.04
C[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659632	1	52	0.0	-68.84	400.19	2.03	-66.81
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024659681	0	52	0.0	-70.80	409.81	2.07	-68.73
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024659681	1	52	0.0	-69.54	405.03	1.88	-67.66
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659731	0	55	0.0	-66.45	428.08	2.44	-64.01
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659731	1	55	0.0	-66.30	428.46	2.50	-63.80
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024659744	0	48	0.0	-68.38	384.25	1.21	-67.17
C=CCC(C)(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024659756	0	55	0.0	-63.71	413.03	2.25	-61.46
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300024659768	0	52	0.0	-71.56	415.90	2.59	-68.97
C[N@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659776	1	49	0.0	-70.88	395.58	-1.77	-72.65
C[N@@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659776	1	49	0.0	-70.42	395.33	-1.75	-72.17
C[N@H+]1CC=C(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024659822	0	53	0.0	-70.56	426.68	3.19	-67.37
C[N@@H+]1CC=C(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024659822	1	53	0.0	-69.17	426.68	3.18	-65.99
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659840	0	53	0.0	-67.23	406.80	-1.85	-69.08
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659840	1	53	0.0	-68.31	405.64	-2.05	-70.36
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024659866	1	49	0.0	-70.35	398.83	1.90	-68.45
CC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024659872	0	55	0.0	-67.74	420.25	3.07	-64.67
CC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024659872	1	55	0.0	-79.76	429.59	3.02	-76.74
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300024659883	0	53	0.0	-68.13	419.23	2.75	-65.38
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300024659883	1	53	0.0	-64.91	416.50	2.98	-61.93
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C=CC[NH+]2CCCC2)CC1	REAL300024659904	0	53	0.0	-73.40	427.06	3.12	-70.28
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024659941	0	48	0.0	-70.04	385.23	1.47	-68.57
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CN2CC3C=CC2C3)CC1	REAL300024659970	0	51	0.0	-66.81	406.50	2.69	-64.12
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300024659970	1	51	0.0	-68.29	406.70	2.77	-65.52
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300024659970	1	51	0.0	-68.29	406.70	2.77	-65.52
COCCN(C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660045	0	52	0.0	-70.33	417.62	0.63	-69.70
COCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660045	1	52	0.0	-71.05	417.84	0.63	-70.42
COCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660045	1	52	0.0	-71.05	417.84	0.63	-70.42
CC(CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024660048	0	54	0.0	-73.53	420.90	2.59	-70.94
CC[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024660061	0	52	0.0	-68.57	408.88	2.73	-65.84
C[N@@H+]1CC2CC1(C(=O)N1CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024660086	0	50	0.0	-75.80	394.61	1.74	-74.06
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300024660093	0	53	0.0	-67.97	414.62	2.94	-65.03
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CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660106	0	51	0.0	-77.16	404.76	1.89	-75.27
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660134	0	49	0.0	-69.18	398.11	1.75	-67.43
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660140	0	57	0.0	-66.90	430.87	1.24	-65.66
NC1=CC=[NH+]C=C1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660163	0	45	0.0	-74.88	379.41	-1.21	-76.09
CCCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024660170	0	54	0.0	-68.02	417.12	2.50	-65.52
C[NH+](C)C(C)(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660174	0	51	0.0	-75.17	387.59	1.25	-73.92
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660187	0	54	0.0	-76.91	426.40	2.51	-74.40
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660235	0	55	0.0	-71.09	433.64	2.92	-68.17
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660235	1	55	0.0	-70.65	425.18	3.05	-67.60
C[NH+](C)CCCCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660237	0	57	0.0	-72.40	454.47	3.77	-68.63
C[NH+]1CCN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024660244	1	54	0.0	-71.12	426.56	0.30	-70.82
CC1C[N@H+](C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024660285	1	53	0.0	-77.88	414.80	1.79	-76.09
CC1C[N@@H+](C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024660285	1	53	0.0	-87.09	415.18	1.39	-85.70
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300024660312	0	50	0.0	-70.12	403.00	2.70	-67.42
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660329	0	52	0.0	-66.43	407.91	2.39	-64.04
C[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660329	1	52	0.0	-68.84	400.19	2.03	-66.81
C[N@@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024660387	0	50	0.0	-78.46	405.34	2.36	-76.10
C[N@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024660387	1	50	0.0	-74.44	404.44	2.41	-72.03
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CNC2=CC=[NH+]C=C2)CC1	REAL300024660389	0	48	0.0	-69.77	403.32	0.07	-69.70
[N-]=[N+]=NCC(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)CC1	REAL300024660412	0	39	0.0	-25.24	344.53	-3.59	-28.83
C[NH+](C)C1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300024660439	0	55	0.0	-70.19	403.76	2.37	-67.82
CCC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024660446	0	52	0.0	-71.42	420.00	2.62	-68.80
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660455	0	49	0.0	-67.39	392.51	1.71	-65.68
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660455	1	49	0.0	-68.70	385.83	1.36	-67.34
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024660533	0	52	0.0	-71.47	416.72	2.54	-68.93
C[NH+](C)CCC1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024660541	0	55	0.0	-72.25	437.96	3.12	-69.13
C[N@@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660542	0	53	0.0	-73.22	418.71	2.91	-70.31
C[N@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660542	1	53	0.0	-73.40	418.70	2.91	-70.49
C[NH+](C)CCOCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660570	0	52	0.0	-74.87	423.44	1.94	-72.93
[NH2+]=C1SC=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660594	0	45	0.0	-66.59	394.56	0.98	-65.61
C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024660650	0	52	0.0	-70.85	401.55	2.21	-68.64
C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024660650	1	52	0.0	-70.85	401.55	2.21	-68.64
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300024660651	0	55	0.0	-69.50	418.53	2.85	-66.65
CN1C=C[N+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024660654	0	47	0.0	-68.21	398.77	4.33	-63.88
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024660674	0	49	0.0	-68.03	396.96	2.22	-65.81
CC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024660692	0	54	0.0	-72.43	424.91	2.87	-69.56
CN1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660709	0	53	0.0	-82.09	418.12	0.66	-81.43
C[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660709	1	53	0.0	-67.83	410.70	0.52	-67.31
C[N@H+]1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660709	1	53	0.0	-67.83	410.70	0.52	-67.31
CC1(O)CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024660770	0	53	0.0	-69.49	423.51	-0.78	-70.27
C[NH+]1CC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024660791	0	49	0.0	-71.81	398.90	1.68	-70.13
C[N@H+](CCO)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660814	0	52	0.0	-71.59	417.93	-1.15	-72.74
C[N@@H+](CCO)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660814	1	52	0.0	-71.59	417.93	-1.15	-72.74
C[N@@H+]1CCCCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660829	0	55	0.0	-64.76	419.30	2.93	-61.83
C[N@H+]1CCCCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660829	1	55	0.0	-64.76	419.30	2.93	-61.83
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660841	0	49	0.0	-68.11	393.90	1.70	-66.41
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660847	0	49	0.0	-79.70	402.43	2.04	-77.66
CC1(C)CN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024660852	0	52	0.0	-70.41	418.15	2.43	-67.98
CC1(C)C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024660852	1	52	0.0	-70.41	418.15	2.43	-67.98
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@H+]2CCCC2CO)CC1	REAL300024660886	0	53	0.0	-69.27	417.16	-1.10	-70.37
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660888	0	51	0.0	-68.49	403.59	2.15	-66.34
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CN2CCC2)CC1	REAL300024660897	0	46	0.0	-70.60	377.66	1.23	-69.37
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024660897	1	46	0.0	-70.60	377.66	1.23	-69.37
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660925	0	54	0.0	-71.33	421.21	2.50	-68.83
CCC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024660980	0	57	0.0	-77.54	438.58	3.34	-74.20
C[NH+](C)CC(C)(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024660985	0	54	0.0	-69.54	407.20	2.19	-67.35
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024661014	0	52	0.0	-66.37	407.99	2.39	-63.98
C[NH+](C)CC(O)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024661033	0	52	0.0	-80.75	420.18	-0.12	-80.87
C=CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024661053	0	52	0.0	-68.56	411.29	2.36	-66.20
C[NH+]1CCC(C)(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024661064	0	55	0.0	-69.22	414.78	2.29	-66.93
NC(=[NH2+])SCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024661085	0	43	0.0	-72.85	376.03	-2.23	-75.08
C[NH+](C)CCC1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024661108	0	55	0.0	-75.31	443.22	3.46	-71.85
C[N@@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024661109	0	53	0.0	-65.22	413.72	2.91	-62.31
C[N@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024661109	1	53	0.0	-65.22	413.72	2.91	-62.31
CCC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024661190	1	52	0.0	-72.15	420.20	2.78	-69.37
C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024661195	0	49	0.0	-68.47	393.34	1.96	-66.51
C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024661195	1	49	0.0	-70.97	387.48	1.48	-69.49
O=C(C[NH+]1CCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024661212	0	52	0.0	-70.94	409.65	2.81	-68.13
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024661217	0	52	0.0	-69.30	413.52	2.47	-66.83
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024661217	1	52	0.0	-72.74	405.20	2.08	-70.66
C[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024661245	1	53	0.0	-68.44	410.66	0.59	-67.85
C[N@H+]1CCOCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024661245	1	53	0.0	-77.06	418.17	0.74	-76.32
CCOCC(N=[N+]=[N-])C(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024661252	0	49	0.0	-23.19	419.49	-2.62	-25.81
C[NH+](C)CC(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024661331	0	55	0.0	-71.20	423.16	4.83	-66.37
[N-]=[N+]=NCC(=O)N1CCC(C2CCCN2C(=O)CSC2=NC(=O)NN2)CC1	REAL300024661336	0	49	0.0	-22.84	400.12	0.43	-22.41
[N-]=[N+]=NCC(=O)N1CCCC1C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024661396	0	49	0.0	-22.43	400.13	0.47	-21.96
C[NH+](C)CC(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024661402	0	55	0.0	-71.47	423.45	4.80	-66.67
CN(CCCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661601	0	48	0.0	-68.07	390.34	1.19	-66.88
CN(CCCNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661601	1	48	0.0	-70.37	390.33	1.19	-69.18
CN(CCCNC(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661625	1	49	0.0	-78.60	407.42	1.07	-77.53
CN(CCCNC(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661625	1	49	0.0	-69.76	400.31	0.92	-68.84
CC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300024661780	0	57	0.0	-67.37	441.14	3.40	-63.97
CC(C)[N@@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661782	0	57	0.0	-65.07	443.43	3.13	-61.94
CC(C)[N@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661782	1	57	0.0	-65.18	443.38	3.13	-62.05
CC(C)[N@@H+]1CCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661800	0	54	0.0	-68.50	423.19	2.91	-65.59
CC(C)[N@H+]1CCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661800	1	54	0.0	-65.82	429.09	2.76	-63.06
CN(CCCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661815	0	55	0.0	-69.03	437.86	3.39	-65.64
CN(CCCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661815	1	55	0.0	-68.52	437.63	3.38	-65.14
CC(C)C1=[NH+]C=CN1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661832	1	52	0.0	-65.90	435.69	3.34	-62.56
CC1=[NH+]C=CN1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661855	1	46	0.0	-67.20	399.75	2.25	-64.95
CN(CCCNC(=O)CCC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661869	0	57	0.0	-72.43	455.09	3.82	-68.61
CN(CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661882	0	57	0.0	-67.50	439.42	3.59	-63.91
CN(CCCNC(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661890	0	52	0.0	-73.07	411.41	2.42	-70.65
CN(CCCNC(=O)C1CCCC2CCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661923	0	55	0.0	-65.76	426.47	3.19	-62.57
CN(CCCNC(=O)C1CCCC2CCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661923	1	55	0.0	-63.48	434.59	3.45	-60.03
C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024661933	0	51	0.0	-71.09	407.98	1.81	-69.28
C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024661933	1	51	0.0	-70.34	412.36	2.15	-68.19
CC[C@@H]1[C@@H](C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024661937	0	54	0.0	-71.32	427.33	2.31	-69.01
CC[C@@H]1[C@@H](C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024661937	1	54	0.0	-72.28	432.50	2.61	-69.67
CC[N@@H+]1CCOC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024661946	1	52	0.0	-74.88	418.35	1.58	-73.30
CC[N@H+]1CCOC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024661946	1	52	0.0	-69.10	418.38	1.57	-67.53
CC[NH+](CC)CC(F)C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024661983	0	53	0.0	-71.24	427.44	2.26	-68.98
CC1CCC(C)[NH+]1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662039	0	54	0.0	-66.18	427.08	2.50	-63.68
CN(CCCNC(=O)CCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662043	0	54	0.0	-72.18	439.87	3.15	-69.03
C#CC[NH+]1CCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024662047	0	53	0.0	-76.14	439.82	3.49	-72.65
CN(CCCNC(=O)CC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662048	0	54	0.0	-71.64	433.59	3.02	-68.62
CC[N@@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662052	0	54	0.0	-67.24	420.68	2.72	-64.52
CC[N@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662052	1	54	0.0	-66.78	430.10	2.86	-63.92
CC(C)C[N@@H+]1CCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024662064	0	57	0.0	-71.55	455.17	3.58	-67.97
CC(C)C[N@H+]1CCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024662064	1	57	0.0	-71.64	456.28	3.59	-68.05
CN(CCCNC(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662067	0	51	0.0	-72.10	400.89	2.16	-69.94
CC(C)[N@@H+]1CCCC1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662069	0	57	0.0	-62.27	439.26	3.15	-59.12
CC(C)[N@H+]1CCCC1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662069	1	57	0.0	-69.22	449.37	3.24	-65.98
CC(C)[C@@H](C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024662079	0	53	0.0	-69.06	417.69	2.87	-66.19
CN(CCCNC(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662114	0	51	0.0	-68.36	416.17	2.59	-65.77
CN(CCCNC(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662114	1	51	0.0	-68.00	416.54	2.62	-65.38
CC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300024662155	0	57	0.0	-64.14	439.67	3.12	-61.02
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662205	1	50	0.0	-68.30	416.67	2.40	-65.90
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662205	1	50	0.0	-67.78	422.59	2.91	-64.87
CN(CCCNC(=O)CCC1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662210	0	54	0.0	-71.47	432.27	2.66	-68.81
CN(CCCNC(=O)CCC1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662210	1	54	0.0	-74.28	437.70	3.13	-71.15
CN(CCCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662217	0	55	0.0	-71.94	427.43	2.82	-69.12
CN(CCCNC(=O)C1CCC2CCCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662220	0	55	0.0	-65.14	438.19	3.58	-61.56
CN(CCCNC(=O)C1CCC2CCCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662220	1	55	0.0	-64.89	438.16	3.57	-61.32
CN(CCCNC(=O)CCCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662234	0	57	0.0	-73.02	461.37	3.93	-69.09
CN(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662243	0	51	0.0	-74.05	414.64	2.28	-71.77
CN(CCCNC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662269	1	50	0.0	-79.68	429.16	1.65	-78.03
CN(CCCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662291	0	51	0.0	-67.55	402.70	2.04	-65.51
CN(CCCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662291	1	51	0.0	-68.54	402.68	2.04	-66.50
CC(C)C[N@@H+]1CCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662308	0	57	0.0	-68.74	444.74	3.90	-64.84
CC(C)C[N@H+]1CCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662308	1	57	0.0	-66.95	449.27	3.29	-63.66
CN(CCCNC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662389	0	46	0.0	-72.34	400.21	4.11	-68.23
CC1=[NH+]C=CN1CCCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662395	1	52	0.0	-69.38	441.29	3.54	-65.84
CN(CCCNC(=O)CC[NH+]1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662399	1	52	0.0	-75.06	425.59	0.64	-74.42
CC1=C[NH+]=CN1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662421	1	46	0.0	-70.79	398.76	2.93	-67.86
CN(CCCNC(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662452	0	52	0.0	-68.94	414.77	2.61	-66.33
CN(CCCNC(=O)C1CCCC([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662471	0	57	0.0	-67.01	442.36	3.29	-63.72
CN(CCCNC(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662473	0	51	0.0	-73.42	416.64	2.22	-71.20
CN(CCCNC(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662473	1	51	0.0	-74.61	416.85	2.23	-72.38
CN(C)C1=CC=[NH+]C=C1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662483	0	50	0.0	-76.44	420.93	1.43	-75.01
CCC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024662487	0	50	0.0	-68.17	400.97	1.63	-66.54
CN(CCCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662495	0	57	0.0	-73.30	433.87	3.05	-70.25
CN(CCCNC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662525	1	46	0.0	-76.12	400.48	4.14	-71.98
CN(CCCNC(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662568	0	53	0.0	-74.37	435.68	2.77	-71.60
CC(C)C(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024662584	0	53	0.0	-69.37	418.09	2.35	-67.02
CCC[N@H+](C)CCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662586	0	53	0.0	-73.02	431.64	2.57	-70.45
CCC[N@@H+](C)CCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662586	1	53	0.0	-73.03	431.91	2.60	-70.43
CCC[N@H+](C)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662591	0	50	0.0	-70.26	409.54	2.05	-68.21
CCC[N@@H+](C)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662591	1	50	0.0	-70.20	409.27	2.02	-68.18
CN(CCCNC(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662611	0	52	0.0	-76.67	412.25	1.87	-74.80
CN(CCCNC(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662611	1	52	0.0	-71.77	411.96	1.85	-69.92
CN(CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662641	0	48	0.0	-67.10	396.33	1.69	-65.41
CN(CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662641	1	48	0.0	-67.96	390.07	1.18	-66.78
CC[NH+](CC)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662694	0	50	0.0	-68.21	406.41	2.00	-66.21
CCC[N@@H+]1CCCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024662725	0	57	0.0	-70.43	454.04	3.66	-66.77
CCC[N@H+]1CCCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024662725	1	57	0.0	-70.75	453.79	3.64	-67.11
CC1CC[NH+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024662764	0	54	0.0	-70.54	433.27	3.13	-67.41
CN(CCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662796	0	51	0.0	-68.32	420.70	2.33	-65.99
CC(C)[NH+]1CCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024662855	0	57	0.0	-71.45	445.56	3.24	-68.21
CN(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662870	0	51	0.0	-74.05	414.64	2.28	-71.77
CC(C)[C@H](C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024662888	0	53	0.0	-66.55	416.24	2.48	-64.07
CCC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024662918	0	56	0.0	-63.89	436.45	2.93	-60.96
CC[N@H+](C)CCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662965	0	50	0.0	-72.25	410.14	1.84	-70.41
CC[N@@H+](C)CCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024662965	1	50	0.0	-72.22	410.41	1.86	-70.36
CC1CCC[N@@H+]1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663011	0	51	0.0	-67.05	416.08	2.27	-64.78
CC1CCC[N@H+]1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663011	1	51	0.0	-67.28	415.47	2.41	-64.87
CC1CC[N@H+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024663013	0	51	0.0	-69.51	416.38	2.38	-67.13
CC1CC[N@@H+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024663013	1	51	0.0	-69.35	415.70	2.31	-67.04
CN(CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663017	0	54	0.0	-69.49	435.60	2.87	-66.62
CN(CCCNC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663017	1	54	0.0	-69.32	435.35	2.88	-66.44
CN(CCCNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663018	0	56	0.0	-69.90	439.83	3.17	-66.73
CN(CCCNC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663018	1	56	0.0	-69.94	437.88	3.02	-66.92
CC[C@@H](C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024663026	0	50	0.0	-67.88	400.28	1.64	-66.24
CN(CCCNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663167	0	44	0.0	-70.77	370.31	0.63	-70.14
CN(CCCNC(=O)C[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663171	0	54	0.0	-69.20	421.40	2.69	-66.51
CN(CCCNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663175	0	46	0.0	-68.11	401.28	4.13	-63.98
CN(CCCNC(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663181	0	51	0.0	-65.97	408.35	2.44	-63.53
CN(CCCNC(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663181	1	51	0.0	-71.45	414.63	2.24	-69.21
CN(CCCNC(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663186	0	52	0.0	-65.09	426.17	3.14	-61.95
CN(CCCNC(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663186	1	52	0.0	-68.83	420.73	2.50	-66.33
CC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024663209	1	48	0.0	-67.78	400.05	1.55	-66.23
CCC(CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024663213	0	56	0.0	-66.71	445.55	3.25	-63.46
CN(CCCNC(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663220	0	53	0.0	-65.83	417.85	2.33	-63.50
CN(CCCNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663234	0	53	0.0	-67.51	428.46	3.35	-64.16
CN(CCCNC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663234	1	53	0.0	-68.44	428.36	3.95	-64.49
CN(CCCNC(=O)C[NH+]1CCC(O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663242	1	52	0.0	-74.13	422.86	-0.86	-74.99
CN(CCCNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663243	0	48	0.0	-67.96	399.45	2.02	-65.94
CN(CCCNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663243	1	48	0.0	-67.70	399.45	2.02	-65.68
CC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024663244	1	56	0.0	-72.00	443.57	0.47	-71.53
CN(CCCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663262	0	48	0.0	-72.85	401.76	1.46	-71.39
CN(CCCNC(=O)C1CC[N@@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663266	0	55	0.0	-70.04	442.48	3.58	-66.46
CN(CCCNC(=O)C1CC[N@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663266	1	55	0.0	-68.27	436.09	3.06	-65.21
CN(CCCNC(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663274	0	54	0.0	-67.51	415.66	1.81	-65.70
CN(CCCNC(=O)C1CC[N@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663274	1	54	0.0	-68.31	414.74	2.13	-66.18
C[C@@H](C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024663285	0	47	0.0	-69.40	388.15	1.01	-68.39
CN(CCCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024663292	0	38	0.0	-24.41	347.26	-3.77	-28.18
CCC1CCC[N@H+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024663316	0	57	0.0	-70.21	451.29	3.75	-66.46
CCC1CCC[N@@H+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024663316	1	57	0.0	-70.16	451.30	3.75	-66.41
CN(CCCNC(=O)C1=CC=C(C[NH+](C)C)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663323	0	52	0.0	-80.93	436.62	2.05	-78.88
CN(CCCNC(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024663364	0	44	0.0	-66.35	397.39	0.81	-65.54
CN(CCCNC(=O)CC[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663374	0	51	0.0	-71.88	420.49	-1.39	-73.27
CN(CCCNC(=O)CC[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663374	1	51	0.0	-72.16	420.74	-1.39	-73.55
C[C@@H](C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024663375	0	47	0.0	-69.40	388.15	1.01	-68.39
CN(CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663379	0	51	0.0	-68.01	412.27	2.22	-65.79
CN(CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663379	1	51	0.0	-67.57	402.71	2.04	-65.53
CC1CN2CC[N@@H+]1CC2C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663387	0	54	0.0	-73.05	421.39	-0.49	-73.54
CC1CN2CC[N@H+]1CC2C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663387	1	54	0.0	-76.67	421.42	-0.51	-77.18
CN(CCCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663447	1	45	0.0	-70.39	380.41	1.06	-69.33
CN(CCCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663470	0	49	0.0	-75.06	409.16	2.18	-72.88
CN(CCCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663470	1	49	0.0	-75.33	408.21	2.20	-73.13
CN(CCCNC(=O)COCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663500	0	51	0.0	-71.44	426.19	1.69	-69.75
C=CCC(C)(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024663519	0	54	0.0	-69.22	423.92	3.53	-65.69
CN(CCCNC(=O)C(O)CC[S+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663523	0	50	0.0	-76.95	435.16	0.29	-76.66
CN(CCCNC(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663548	0	52	0.0	-74.58	419.60	-1.21	-75.79
CN(CCCNC(=O)C1CN(C)CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663557	0	56	0.0	-69.58	440.17	0.78	-68.80
CN(CCCNC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663557	1	56	0.0	-69.58	440.17	0.78	-68.80
CC1CN(CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024663574	0	48	0.0	-70.35	401.31	1.71	-68.64
CC1C[NH+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024663574	1	48	0.0	-70.35	401.31	1.71	-68.64
CN(CCO)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663596	0	48	0.0	-71.19	398.40	-1.94	-73.13
CN(CCCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663596	1	48	0.0	-70.34	398.18	-1.94	-72.28
CN(CCCNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663596	1	48	0.0	-70.34	398.18	-1.94	-72.28
CN(CCCNC(=O)C1C[N@@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663615	0	54	0.0	-76.30	416.85	0.42	-75.88
CN(CCCNC(=O)C1C[N@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663615	1	54	0.0	-76.30	416.85	0.42	-75.88
CC[N@@H+]1CCCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024663620	0	54	0.0	-70.19	432.30	2.90	-67.29
CC[N@H+]1CCCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024663620	1	54	0.0	-70.19	432.30	2.90	-67.29
CC(CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024663622	0	53	0.0	-73.17	427.50	2.63	-70.54
CC[N@H+](C)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663629	0	47	0.0	-69.76	387.78	1.29	-68.47
CN(CCCNC(=O)C12CCC[N@@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663648	0	55	0.0	-66.22	425.77	3.20	-63.02
CN(CCCNC(=O)C12CCC[N@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663648	1	55	0.0	-66.22	425.77	3.20	-63.02
CN(CCCNC(=O)C12CCC[N@@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663653	0	53	0.0	-65.62	418.97	2.96	-62.66
CN(CCCNC(=O)C12CCC[N@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663653	1	53	0.0	-65.62	418.97	2.96	-62.66
CC[N@H+](CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024663672	0	51	0.0	-67.16	416.42	2.64	-64.52
CC[NH+](CC)CCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663684	0	53	0.0	-71.34	428.26	2.56	-68.78
CN(CCCNC(=O)CN1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663703	0	51	0.0	-70.44	420.65	2.24	-68.20
CN(CCCNC(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663703	1	51	0.0	-70.44	420.65	2.24	-68.20
CN(CCCNC(=O)C[N@@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663725	0	52	0.0	-70.77	426.56	-0.96	-71.73
CN(CCCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663732	0	48	0.0	-75.99	406.28	1.85	-74.14
CC(OCC[NH+](C)C)C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663749	0	54	0.0	-72.43	445.98	2.38	-70.05
CN(CCCNC(=O)CCOCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663756	0	54	0.0	-72.61	447.13	1.44	-71.17
COCCN(C)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663757	0	51	0.0	-70.03	420.43	0.47	-69.56
COCC[N@H+](C)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663757	1	51	0.0	-71.38	420.65	0.47	-70.91
COCC[N@@H+](C)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663757	1	51	0.0	-71.38	420.65	0.47	-70.91
CN(CCCNC(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663781	0	54	0.0	-73.64	421.43	2.84	-70.80
CC(CCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024663784	0	53	0.0	-71.88	427.60	2.36	-69.52
CCN1CCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663790	0	48	0.0	-67.65	394.84	1.34	-66.31
CC[N@@H+]1CCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663790	1	48	0.0	-69.26	401.68	1.65	-67.61
CC[N@H+]1CCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663790	1	48	0.0	-69.26	401.68	1.65	-67.61
CC(C)[N@@H+]1CCCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024663798	0	57	0.0	-68.89	448.95	3.41	-65.48
CC(C)[N@H+]1CCCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024663798	1	57	0.0	-68.89	448.95	3.41	-65.48
CN(CCCNC(=O)C[N@@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663809	0	52	0.0	-68.80	425.16	-0.82	-69.62
CN(CCCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663829	0	55	0.0	-68.52	437.63	3.38	-65.14
CN(CCCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663829	1	55	0.0	-68.52	437.63	3.38	-65.14
CN(CCCNC(=O)C1(C)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663835	0	54	0.0	-67.63	427.30	2.69	-64.94
CN(CCCNC(=O)C1=CC(C[NH+](C)C)=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663841	0	52	0.0	-75.68	436.69	1.91	-73.77
C=CCC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024663860	0	51	0.0	-67.53	413.99	2.11	-65.42
CN(CCCNC(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663869	0	54	0.0	-69.76	430.21	2.35	-67.41
CN(CCCNC(=O)C1CC(C)(C)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663869	1	54	0.0	-69.76	430.21	2.35	-67.41
CN(CCCNC(=O)CCCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663872	0	56	0.0	-74.12	457.18	3.56	-70.56
CC1C[N@@H+]2CCN1C(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024663902	0	54	0.0	-78.28	423.30	-0.31	-78.59
CC1C[N@H+]2CCN1C(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024663902	1	54	0.0	-78.28	423.30	-0.31	-78.59
CCCC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024663903	0	53	0.0	-69.34	422.23	2.41	-66.93
CN(CCCNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663907	0	50	0.0	-72.46	397.55	1.83	-70.63
CN(CCCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663940	0	51	0.0	-68.54	402.68	2.04	-66.50
CN(CCCNC(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663971	0	52	0.0	-70.04	429.18	2.95	-67.09
CN(CCCNC(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663971	1	52	0.0	-70.04	429.18	2.95	-67.09
CN(CCCNC(=O)CC1([NH+]2CCCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663979	0	55	0.0	-68.53	434.03	3.28	-65.25
CN(C)CC1=CC=C(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024664016	0	51	0.0	-76.88	434.63	2.43	-74.45
CN(CCCNC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664016	1	51	0.0	-76.88	434.63	2.43	-74.45
CN(CCCNC(=O)C=CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664030	0	52	0.0	-74.70	430.60	2.90	-71.80
CN(CCCNC(=O)C1CC[NH+](C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664048	0	55	0.0	-72.99	439.49	3.49	-69.50
CN(CCCNC(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664067	0	51	0.0	-71.70	418.37	2.35	-69.35
CN(CCCNC(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664099	0	51	0.0	-74.10	406.32	-0.92	-75.02
CN(CCCNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664107	0	49	0.0	-72.48	402.36	1.83	-70.65
CN(CCCNC(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664118	0	52	0.0	-67.21	414.48	2.54	-64.67
CN(CCCNC(=O)C[N@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664118	1	52	0.0	-67.21	414.48	2.54	-64.67
CN(CCCNC(=O)C=C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664154	0	53	0.0	-68.79	426.45	3.02	-65.77
CN(CCCNC(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664164	1	50	0.0	-68.21	409.43	2.60	-65.61
CN(CCCNC(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664164	1	50	0.0	-67.07	409.13	2.49	-64.58
CC[NH+]1CCN(CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024664190	0	56	0.0	-71.47	446.80	0.80	-70.67
CC(C[NH+](C)C)C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664204	0	50	0.0	-71.99	408.72	1.91	-70.08
CN(CCCNC(=O)CC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664265	0	54	0.0	-73.16	429.30	2.80	-70.36
CN(CCCNC(=O)CC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664265	1	54	0.0	-72.66	429.28	2.81	-69.85
CC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024664279	0	51	0.0	-67.67	420.39	2.28	-65.39
CC1CC[N@@H+]1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664281	1	48	0.0	-68.35	396.10	1.45	-66.90
CC1CC[N@H+]1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664281	1	48	0.0	-69.39	401.65	1.71	-67.68
CN(CCCNC(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664284	0	51	0.0	-76.21	423.02	-0.36	-76.57
CC1C[N@H+](C)CC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024664308	1	52	0.0	-76.50	421.80	1.67	-74.83
CC1C[N@@H+](C)CC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024664308	1	52	0.0	-70.16	421.76	1.68	-68.48
CCC[N@@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664317	0	57	0.0	-67.60	442.15	3.47	-64.13
CCC[N@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664317	1	57	0.0	-67.11	451.59	3.62	-63.49
CN(CCCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664373	0	51	0.0	-70.78	419.77	2.34	-68.44
CC(CC[NH+](C)C)C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664380	0	53	0.0	-72.82	430.36	2.54	-70.28
C#CC[N@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664401	1	53	0.0	-65.83	437.58	3.43	-62.40
C#CC[N@@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664401	1	53	0.0	-65.85	437.59	3.43	-62.42
CN(CCCNC(=O)CN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664404	1	53	0.0	-73.10	429.45	0.14	-72.96
CC[NH+]1CCN(CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024664411	0	56	0.0	-71.47	446.80	0.80	-70.67
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024664581	0	48	0.0	-70.48	395.49	1.41	-69.07
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024664581	1	48	0.0	-69.84	393.07	1.45	-68.39
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300024664607	1	49	0.0	-76.17	396.52	0.69	-75.48
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300024664607	1	49	0.0	-84.97	402.51	0.83	-84.14
CC1=[NH+]C=CN1CCCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024664764	1	52	0.0	-71.00	441.29	3.51	-67.49
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCOCC1	REAL300024664768	1	52	0.0	-77.44	425.32	0.60	-76.84
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+]1CCC2	REAL300024664786	0	52	0.0	-68.05	407.91	1.93	-66.12
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024664794	1	46	0.0	-79.16	397.37	3.73	-75.43
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC([NH+](C)C)C1	REAL300024664840	0	57	0.0	-67.60	437.71	2.97	-64.63
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300024664842	0	51	0.0	-76.02	416.76	2.20	-73.82
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300024664842	1	51	0.0	-76.04	416.58	2.19	-73.85
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024664852	0	50	0.0	-80.01	421.85	0.38	-79.63
CCC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024664856	0	50	0.0	-69.43	397.78	1.45	-67.98
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300024664905	0	53	0.0	-75.96	435.68	2.74	-73.22
CC(C)C(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024664923	0	53	0.0	-71.70	413.95	2.16	-69.54
CCC[N@H+](C)CCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024664925	0	53	0.0	-75.54	431.91	2.57	-72.97
CCC[N@@H+](C)CCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024664925	1	53	0.0	-75.47	431.64	2.55	-72.92
CCC[N@H+](C)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024664930	0	50	0.0	-72.69	409.26	1.95	-70.74
CCC[N@@H+](C)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024664930	1	50	0.0	-72.60	409.54	1.97	-70.63
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@H+](C1)CCC2	REAL300024664950	0	52	0.0	-80.43	402.44	1.36	-79.07
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300024664950	1	52	0.0	-79.37	401.70	1.42	-77.95
CC1CC[NH+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024664999	0	54	0.0	-73.25	433.11	3.04	-70.21
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024665058	0	55	0.0	-74.74	434.05	3.11	-71.63
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024665058	1	55	0.0	-74.52	436.72	3.20	-71.32
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300024665067	0	51	0.0	-73.79	417.74	2.15	-71.64
CC(C)[NH+]1CCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024665076	0	57	0.0	-74.96	442.25	3.00	-71.96
CC[N@H+](C)CCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665092	0	50	0.0	-74.74	410.41	1.83	-72.91
CC[N@@H+](C)CCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665092	1	50	0.0	-74.67	410.14	1.81	-72.86
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300024665111	0	57	0.0	-70.66	432.51	2.88	-67.78
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCC1CC2	REAL300024665119	0	52	0.0	-79.47	407.47	2.09	-77.38
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024665178	0	51	0.0	-77.86	411.58	2.04	-75.82
CC(C)[C@H](C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024665196	0	53	0.0	-69.71	410.49	1.96	-67.75
CC[NH+](CC)CC(F)C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665276	0	53	0.0	-74.09	431.31	2.45	-71.64
CC(C)C[N@@H+]1CCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024665302	0	57	0.0	-72.90	451.33	3.43	-69.47
CC(C)C[N@H+]1CCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024665302	1	57	0.0	-74.91	452.43	3.38	-71.53
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300024665305	0	51	0.0	-75.86	402.15	1.79	-74.07
CCC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024665335	0	56	0.0	-68.04	431.57	2.67	-65.37
CC1CCC[N@@H+]1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665351	0	51	0.0	-69.46	416.34	2.23	-67.23
CC1CCC[N@H+]1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665351	1	51	0.0	-69.27	408.74	1.93	-67.34
CC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300024665396	0	57	0.0	-69.75	438.90	3.30	-66.45
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665398	0	57	0.0	-66.64	442.04	3.06	-63.58
CC(C)[N@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665398	1	57	0.0	-66.63	441.45	3.03	-63.60
CC(C)[N@@H+]1CCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665416	0	54	0.0	-67.54	424.59	2.41	-65.13
CC(C)[N@H+]1CCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665416	1	54	0.0	-70.15	418.23	2.68	-67.47
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665422	0	57	0.0	-65.39	438.99	3.13	-62.26
CC(C)[N@H+]1CCCC1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665422	1	57	0.0	-65.61	439.39	3.12	-62.49
CC(C)[C@@H](C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024665432	0	53	0.0	-71.49	414.90	2.26	-69.23
CC1CC[N@H+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024665450	0	51	0.0	-71.92	415.53	2.31	-69.61
CC1CC[N@@H+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024665450	1	51	0.0	-71.97	416.40	2.30	-69.67
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024665454	0	54	0.0	-71.84	435.38	2.82	-69.02
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300024665454	1	54	0.0	-71.70	435.28	2.81	-68.89
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300024665455	0	56	0.0	-72.52	440.10	3.11	-69.41
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300024665455	1	56	0.0	-72.69	438.15	2.96	-69.73
CC[C@@H](C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024665463	0	50	0.0	-69.44	397.78	1.45	-67.99
CC1=[NH+]C=CN1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665622	1	46	0.0	-69.29	399.47	2.15	-67.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCCC1	REAL300024665636	0	57	0.0	-74.25	455.36	3.80	-70.45
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024665648	1	50	0.0	-80.54	425.67	1.87	-78.67
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665674	1	52	0.0	-67.78	435.97	3.30	-64.48
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300024665700	0	55	0.0	-70.39	427.17	2.98	-67.41
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC2CCC[N@H+]21	REAL300024665700	1	55	0.0	-68.30	422.34	2.69	-65.61
CC[N@@H+]1CCOC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024665713	1	52	0.0	-82.40	421.37	1.49	-80.91
CC[N@H+]1CCOC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024665713	1	52	0.0	-74.28	414.30	1.35	-72.93
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024665751	0	46	0.0	-77.06	405.11	3.93	-73.13
CC1=C[NH+]=CN1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665755	1	46	0.0	-71.91	399.03	2.86	-69.05
C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024665764	0	51	0.0	-77.09	405.20	1.49	-75.60
C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024665764	1	51	0.0	-75.87	412.11	1.81	-74.06
CC[C@@H]1[C@@H](C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024665768	0	54	0.0	-74.48	427.67	2.16	-72.32
CC[C@@H]1[C@@H](C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024665768	1	54	0.0	-74.22	428.36	2.43	-71.79
CC1CCC(C)[NH+]1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665778	0	54	0.0	-68.59	427.04	2.44	-66.15
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCC1	REAL300024665782	0	54	0.0	-74.04	440.14	3.14	-70.90
C#CC[NH+]1CCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024665787	0	53	0.0	-78.64	434.62	3.13	-75.51
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCC1	REAL300024665788	0	54	0.0	-74.18	433.86	2.99	-71.19
CC[N@@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665793	0	54	0.0	-68.08	427.61	2.72	-65.36
CC[N@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024665793	1	54	0.0	-68.18	427.83	2.72	-65.46
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1([NH+](C)C)CCCC1	REAL300024665825	0	57	0.0	-76.21	434.15	3.03	-73.18
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300024665936	0	51	0.0	-70.78	416.43	2.53	-68.25
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300024665936	1	51	0.0	-70.55	416.26	2.52	-68.03
CC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300024665953	0	57	0.0	-66.95	440.07	2.88	-64.07
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+]1CCCC1	REAL300024665964	0	57	0.0	-74.66	461.64	3.92	-70.74
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024665973	0	51	0.0	-77.86	411.58	2.04	-75.82
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024666007	0	48	0.0	-69.84	395.08	1.40	-68.44
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024666007	1	48	0.0	-71.73	388.90	1.09	-70.64
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666026	1	50	0.0	-70.15	415.77	2.33	-67.82
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666026	1	50	0.0	-71.03	421.82	2.69	-68.34
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL300024666031	0	54	0.0	-72.57	432.25	2.62	-69.95
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL300024666031	1	54	0.0	-76.81	437.70	3.09	-73.72
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+](CCC1)C2	REAL300024666038	0	55	0.0	-73.55	417.68	2.25	-71.30
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300024666041	0	55	0.0	-67.75	434.64	3.34	-64.41
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCCC[N@H+]21	REAL300024666041	1	55	0.0	-69.02	431.12	3.04	-65.98
CCC[N@@H+]1CCCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024666100	0	57	0.0	-66.49	442.93	3.50	-62.99
CCC[N@H+]1CCCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024666100	1	57	0.0	-72.93	449.09	3.32	-69.61
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024666133	0	51	0.0	-69.20	410.44	2.14	-67.06
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024666133	1	51	0.0	-69.19	410.69	2.15	-67.04
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666151	0	57	0.0	-71.00	448.42	3.19	-67.81
CC(C)C[N@H+]1CCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666151	1	57	0.0	-69.88	451.10	3.57	-66.31
CC1C(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024666202	0	51	0.0	-76.05	412.28	1.83	-74.22
CC1C(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024666202	1	51	0.0	-74.75	406.98	1.84	-72.91
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@@H+]1C	REAL300024666204	0	57	0.0	-71.93	451.62	3.52	-68.41
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@H+]1C	REAL300024666204	1	57	0.0	-72.32	451.39	3.52	-68.80
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024666281	0	54	0.0	-69.56	412.03	1.52	-68.04
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300024666281	1	54	0.0	-69.77	430.02	2.17	-67.60
C[C@@H](C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024666299	0	47	0.0	-71.20	386.86	0.97	-70.23
C=CCC(C)(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024666313	0	54	0.0	-66.42	416.37	2.17	-64.25
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024666333	0	51	0.0	-74.23	418.64	2.32	-71.91
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024666343	1	48	0.0	-73.17	398.13	-2.02	-75.19
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024666343	1	48	0.0	-73.06	397.90	-2.03	-75.09
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300024666372	0	54	0.0	-79.24	417.01	-0.17	-79.41
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300024666372	1	54	0.0	-79.41	415.66	-0.25	-79.66
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@H+](C)CC1	REAL300024666416	0	52	0.0	-71.78	429.46	2.93	-68.85
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300024666416	1	52	0.0	-69.99	429.45	2.93	-67.06
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)CC[S+](C)C	REAL300024666430	0	50	0.0	-79.93	429.99	-0.01	-79.94
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024666448	0	52	0.0	-76.62	409.35	-1.64	-78.26
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC(O)C[N@H+]1C	REAL300024666448	1	52	0.0	-70.05	409.15	-2.04	-72.09
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300024666457	0	56	0.0	-72.20	437.23	0.49	-71.71
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024666457	1	56	0.0	-71.34	439.12	0.07	-71.27
CC1C[NH+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024666485	1	48	0.0	-72.86	401.31	1.63	-71.23
CC[N@@H+]1CCCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024666491	0	54	0.0	-72.38	428.88	2.64	-69.74
CC[N@H+]1CCCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024666491	1	54	0.0	-66.26	422.45	2.84	-63.42
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300024666506	0	52	0.0	-68.06	424.28	2.89	-65.17
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C1CC1	REAL300024666506	1	52	0.0	-70.24	419.53	2.39	-67.85
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300024666541	0	52	0.0	-76.57	430.05	2.87	-73.70
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300024666559	0	55	0.0	-75.56	435.98	3.23	-72.33
CC[N@H+](C)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666596	0	47	0.0	-72.29	388.05	1.23	-71.06
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC2C=CC1C2	REAL300024666639	0	50	0.0	-69.06	409.14	2.43	-66.63
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024666639	1	50	0.0	-68.81	409.65	2.45	-66.36
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300024666639	1	50	0.0	-68.81	409.65	2.45	-66.36
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCN1CC2	REAL300024666706	0	51	0.0	-80.10	402.99	-1.33	-81.43
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300024666739	0	55	0.0	-67.81	418.50	2.44	-65.37
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@H+]1CCCC2	REAL300024666739	1	55	0.0	-67.81	418.50	2.44	-65.37
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300024666745	0	53	0.0	-67.45	411.73	2.32	-65.13
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300024666745	1	53	0.0	-67.45	411.73	2.32	-65.13
CC(OCC[NH+](C)C)C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666754	0	54	0.0	-73.81	442.37	2.16	-71.65
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCOCC[NH+](C)C	REAL300024666762	0	54	0.0	-73.90	447.13	1.40	-72.50
COCCN(C)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666764	0	51	0.0	-72.78	420.15	0.37	-72.41
COCC[N@H+](C)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666764	1	51	0.0	-73.46	420.38	0.38	-73.08
COCC[N@@H+](C)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666764	1	51	0.0	-73.46	420.38	0.38	-73.08
CC(CCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024666769	0	53	0.0	-73.09	427.66	2.35	-70.74
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CC1C[N@@H+]2CCN1C(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024666802	0	54	0.0	-80.76	419.54	-0.76	-81.52
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024666822	0	49	0.0	-75.21	396.49	1.79	-73.42
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300024666835	0	52	0.0	-69.62	414.86	2.48	-67.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2CCC1C2	REAL300024666835	1	52	0.0	-69.62	414.86	2.48	-67.14
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CC[N@@H+]1CCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666896	0	48	0.0	-72.28	400.45	1.44	-70.84
CC(C)[N@@H+]1CCCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024666906	0	57	0.0	-71.28	445.68	3.17	-68.11
CC(C)[N@H+]1CCCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024666906	1	57	0.0	-71.28	445.68	3.17	-68.11
CCC(C)(C)[NH2+]C(C)C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666916	0	56	0.0	-70.79	433.45	1.17	-69.62
C#CCN1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666953	0	53	0.0	-70.01	424.00	2.85	-67.16
C#CC[N@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666953	1	53	0.0	-71.33	428.47	2.99	-68.34
C#CC[N@@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666953	1	53	0.0	-71.33	428.47	2.99	-68.34
CCCC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024666964	0	53	0.0	-70.21	419.27	2.21	-68.00
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024666971	0	50	0.0	-75.30	389.00	1.59	-73.71
CC(CC[NH+](C)C)C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024666989	0	53	0.0	-74.56	425.17	2.18	-72.38
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024667041	0	53	0.0	-72.11	424.70	2.79	-69.32
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024667041	1	53	0.0	-72.11	424.70	2.79	-69.32
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024667068	0	54	0.0	-70.59	428.84	2.24	-68.35
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300024667068	1	54	0.0	-70.59	428.84	2.24	-68.35
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCCC[NH+](C)C	REAL300024667071	0	56	0.0	-75.22	457.18	3.52	-71.70
CCC[N@@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024667077	0	57	0.0	-69.58	437.96	3.05	-66.53
CCC[N@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024667077	1	57	0.0	-69.58	437.96	3.05	-66.53
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCN(C)CC1	REAL300024667086	0	53	0.0	-73.21	429.45	0.07	-73.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC[NH+](C)CC1	REAL300024667086	1	53	0.0	-73.21	429.45	0.07	-73.14
CC1C[N@H+](C)CC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024667162	1	52	0.0	-86.28	416.46	1.14	-85.14
CC1C[N@@H+](C)CC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024667162	1	52	0.0	-76.95	416.75	1.38	-75.57
CCC1CCC[N@H+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024667189	0	57	0.0	-73.07	444.28	3.63	-69.44
CCC1CCC[N@@H+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024667189	1	57	0.0	-72.90	451.28	3.68	-69.22
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024667197	0	52	0.0	-86.13	431.54	2.26	-83.87
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024667209	0	49	0.0	-72.62	405.66	2.43	-70.19
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300024667220	0	55	0.0	-70.73	434.30	3.27	-67.46
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024667251	0	51	0.0	-69.20	410.44	2.14	-67.06
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024667251	1	51	0.0	-69.19	410.69	2.15	-67.04
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024667346	0	49	0.0	-76.60	408.08	2.10	-74.50
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024667346	1	49	0.0	-76.68	407.38	2.15	-74.53
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC1=CC=[NH+]C=C1	REAL300024667351	0	47	0.0	-73.35	406.03	-0.17	-73.52
CN(CCCNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024667391	0	38	0.0	-24.83	347.27	-3.84	-28.67
CC[NH+]1CCN(CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024667398	0	56	0.0	-71.84	446.80	0.72	-71.12
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300024667401	0	53	0.0	-68.68	425.63	2.97	-65.71
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCCC1	REAL300024667431	0	54	0.0	-76.39	411.33	2.19	-74.20
CCC1C[NH+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024667441	0	51	0.0	-73.64	422.97	2.41	-71.23
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300024667444	0	55	0.0	-72.57	426.15	2.83	-69.74
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024667455	0	48	0.0	-72.38	389.40	1.09	-71.29
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024667455	1	48	0.0	-69.14	392.69	1.38	-67.76
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024667576	0	51	0.0	-74.26	419.46	2.31	-71.95
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC([NH+](C)C)CC1	REAL300024667587	0	57	0.0	-78.84	444.22	3.12	-75.72
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CC[NH+](C)C)CC1	REAL300024667588	0	54	0.0	-77.26	440.24	2.86	-74.40
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024667589	0	57	0.0	-68.56	439.16	3.07	-65.49
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@@H+]1C	REAL300024667590	0	52	0.0	-76.79	421.37	2.65	-74.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@H+]1C	REAL300024667590	1	52	0.0	-76.79	421.37	2.65	-74.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300024667640	0	51	0.0	-73.10	426.19	1.68	-71.42
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=CSC1=[NH2+]	REAL300024667677	0	44	0.0	-69.06	397.11	0.73	-68.33
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024667741	0	54	0.0	-71.17	440.86	2.14	-69.03
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCCC1	REAL300024667771	0	57	0.0	-76.06	444.07	3.22	-72.84
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300024667774	0	51	0.0	-72.38	412.15	2.44	-69.94
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300024667776	0	51	0.0	-66.60	403.49	2.09	-64.51
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300024667776	1	51	0.0	-66.61	403.78	2.11	-64.50
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCCC1	REAL300024667777	0	54	0.0	-72.06	421.12	2.60	-69.46
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024667782	0	46	0.0	-70.33	401.55	4.07	-66.26
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024667797	1	51	0.0	-82.10	432.15	2.48	-79.62
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(O)CC1	REAL300024667812	0	52	0.0	-77.21	423.13	-0.92	-78.13
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024667816	1	48	0.0	-69.64	399.58	1.98	-67.66
CC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024667818	1	56	0.0	-74.19	444.58	0.40	-73.79
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+]1CCC(F)C1	REAL300024667820	1	51	0.0	-79.34	424.51	2.41	-76.93
CCOCC(N=[N+]=[N-])C(=O)N(C)CCCNC(=O)CSC1=NC(=O)NN1	REAL300024667836	0	48	0.0	-24.68	420.22	-3.27	-27.95
CC(CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024667842	0	53	0.0	-74.99	427.50	2.61	-72.38
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300024667854	0	53	0.0	-77.43	425.71	0.72	-76.71
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]2CCOCC12	REAL300024667854	1	53	0.0	-77.82	425.77	0.70	-77.12
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCCN1C	REAL300024667870	0	52	0.0	-69.40	413.45	0.27	-69.13
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCC[N@@H+]1C	REAL300024667870	1	52	0.0	-69.45	413.17	0.25	-69.20
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCC[N@H+]1C	REAL300024667870	1	52	0.0	-69.40	413.45	0.27	-69.13
CC[NH+]1CCN(CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024667877	0	56	0.0	-71.84	446.80	0.72	-71.12
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)(O)C1	REAL300024667961	1	52	0.0	-73.06	426.71	-1.05	-74.11
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024667991	0	48	0.0	-74.01	401.76	1.42	-72.59
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300024667995	0	55	0.0	-70.52	436.11	3.03	-67.49
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300024667995	1	55	0.0	-70.77	435.39	2.94	-67.83
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024668003	0	44	0.0	-73.02	370.31	0.56	-72.46
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300024668027	0	51	0.0	-74.62	420.49	-1.41	-76.03
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300024668027	1	51	0.0	-74.11	420.71	-1.40	-75.51
C[C@@H](C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024668028	0	47	0.0	-71.20	386.86	0.97	-70.23
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@@H+]1C	REAL300024668045	0	54	0.0	-66.23	422.08	2.67	-63.56
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@H+]1C	REAL300024668045	1	54	0.0	-75.93	429.30	2.79	-73.14
CC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024668062	0	51	0.0	-70.05	411.95	1.87	-68.18
CC1CC[N@H+]1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024668064	1	48	0.0	-70.50	396.09	1.36	-69.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024668075	0	48	0.0	-77.60	405.18	1.78	-75.82
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024668085	1	51	0.0	-72.90	420.73	2.13	-70.77
CC1=C(C)[NH+]=C(CCC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024668098	1	52	0.0	-68.76	440.28	1.87	-66.89
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSCC[NH+](C)C	REAL300024668115	0	51	0.0	-79.30	437.21	2.56	-76.74
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCCC1CO	REAL300024668137	1	52	0.0	-71.64	425.16	-0.88	-72.52
CC[NH+](CC)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024668141	0	50	0.0	-70.82	401.63	1.62	-69.20
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024668151	1	45	0.0	-72.88	380.14	0.96	-71.92
CC[NH+](CC)CCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024668189	0	53	0.0	-74.15	423.91	2.24	-71.91
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024668243	0	52	0.0	-78.70	432.35	2.18	-76.52
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300024668263	0	53	0.0	-75.49	425.36	0.74	-74.75
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2COCC[N@H+]2C1	REAL300024668263	1	53	0.0	-75.52	424.95	0.72	-74.80
CC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024668273	0	48	0.0	-70.43	395.99	1.45	-68.98
CCC(CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024668278	0	56	0.0	-68.07	445.35	3.23	-64.84
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300024668286	0	53	0.0	-68.95	407.80	1.76	-67.19
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024668336	0	51	0.0	-69.13	410.71	2.15	-66.98
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300024668336	1	51	0.0	-70.31	398.74	1.66	-68.65
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024668348	0	54	0.0	-78.46	419.48	-0.83	-79.29
CC1CN2CC[N@H+]1CC2C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024668348	1	54	0.0	-77.97	419.97	-0.80	-78.77
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(O)C[NH+](C)C	REAL300024668368	0	51	0.0	-78.29	422.91	-0.37	-78.66
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300024668370	0	55	0.0	-71.51	407.20	2.60	-68.91
C=CCC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024668398	0	51	0.0	-68.80	411.23	1.94	-66.86
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024668404	0	55	0.0	-74.74	434.05	3.11	-71.63
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024668404	1	55	0.0	-74.52	436.72	3.20	-71.32
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC[NH+](C)CC1	REAL300024668415	0	54	0.0	-71.90	418.32	2.13	-69.77
CN(CCCNC(=O)CSC(N)=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024668440	0	42	0.0	-72.35	378.84	-2.49	-74.84
CN(CCCNC(=O)C1CCC([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668476	0	57	0.0	-74.98	448.86	3.45	-71.53
CN(CCCNC(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668477	0	54	0.0	-69.92	446.06	3.18	-66.74
CN(CCCNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668478	0	57	0.0	-65.81	442.61	3.33	-62.48
CN(CCCNC(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668479	0	52	0.0	-73.40	421.53	2.69	-70.71
CN(CCCNC(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668479	1	52	0.0	-73.40	421.53	2.69	-70.71
C[C@@H](OCC[NH+](C)C)C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668500	0	54	0.0	-69.28	445.71	2.37	-66.91
CN(CCCNC(=O)C1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668523	0	55	0.0	-69.79	413.25	3.18	-66.61
CCC1C[NH+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024668613	1	51	0.0	-71.08	422.71	2.47	-68.61
CN(CCCNC(=O)C1([NH+]2CCCC2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668615	0	55	0.0	-68.16	430.06	3.32	-64.84
CN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668622	0	48	0.0	-68.09	390.36	1.19	-66.90
CN(CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668622	1	48	0.0	-66.59	395.74	1.58	-65.01
CN(CCCNC(=O)CC[N@H+]1CCC(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668629	1	51	0.0	-74.16	424.91	2.45	-71.71
CN(CCCNC(=O)CC[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668643	0	57	0.0	-73.62	444.34	3.26	-70.36
CN(CCCNC(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668645	0	51	0.0	-69.60	412.15	2.51	-67.09
CC1C(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024668653	0	51	0.0	-70.77	411.21	1.85	-68.92
CC1C(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024668653	1	51	0.0	-71.77	416.52	2.02	-69.75
CN(CCCNC(=O)CCC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668655	0	57	0.0	-71.19	451.34	3.55	-67.64
CN(CCCNC(=O)CCC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668655	1	57	0.0	-70.68	451.39	3.55	-67.13
CN(CCCNC(=O)C1CC[N@@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668676	0	53	0.0	-67.75	425.15	0.94	-66.81
CN(CCCNC(=O)C1CC[N@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668676	1	53	0.0	-69.23	425.27	0.94	-68.29
CN(CCCNC(=O)CC1COCCN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668692	0	52	0.0	-68.67	413.17	0.29	-68.38
CN(CCCNC(=O)CC1COCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668692	1	52	0.0	-66.15	413.18	0.29	-65.86
CN(CCCNC(=O)CC1COCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668692	1	52	0.0	-68.67	413.17	0.29	-68.38
CC1=C(C)[NH+]=C(CCC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024668699	1	52	0.0	-66.76	440.55	1.92	-64.84
CCOCC(N=[N+]=[N-])C(=O)NCCCN(C)C(=O)CSC1=NC(=O)NN1	REAL300024668703	0	48	0.0	-24.24	423.50	-3.08	-27.32
CN(CCCNC(=O)CSCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668767	0	51	0.0	-77.25	437.21	2.56	-74.69
CN(CCCNC(=O)C1CC2COCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668773	0	53	0.0	-70.89	428.73	1.02	-69.87
CN(CCCNC(=O)C1CC2COCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668773	1	53	0.0	-72.63	429.06	0.96	-71.67
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C1CCC[N@H+]1C	REAL300024668874	1	55	0.0	-61.99	417.11	3.50	-58.49
CCC(C(=O)N1CCCCC1C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024668965	0	57	0.0	-63.38	423.66	4.06	-59.32
CCC[N@H+](C)CC(=O)N1CCCCC1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024668969	0	57	0.0	-63.10	427.06	4.67	-58.43
CCC[N@@H+](C)CC(=O)N1CCCCC1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024668969	1	57	0.0	-63.25	431.08	4.89	-58.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300024668975	1	55	0.0	-71.82	410.16	4.20	-67.62
CC[NH+](CC)CC(=O)N1CCCCC1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024668978	0	57	0.0	-61.15	422.96	4.51	-56.64
CC[N@H+](C)CCC(=O)N1CCCCC1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024669018	0	57	0.0	-64.49	431.64	4.76	-59.73
CC[N@@H+](C)CCC(=O)N1CCCCC1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024669018	1	57	0.0	-67.06	434.15	4.06	-63.00
CC[C@@H](C(=O)N1CCCCC1C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024669021	0	57	0.0	-59.66	416.78	4.21	-55.45
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C[NH+](C)C	REAL300024669036	0	51	0.0	-63.00	387.76	3.22	-59.78
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C(C)[NH+]1CCC1	REAL300024669040	1	55	0.0	-61.85	416.71	4.38	-57.47
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C[N@@H+](C)C1CC1	REAL300024669046	1	55	0.0	-60.32	420.80	4.82	-55.50
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)CC1C[NH+](C)C1	REAL300024669051	0	55	0.0	-64.90	425.36	3.78	-61.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)[C@H](C)[NH+](C)C	REAL300024669058	0	54	0.0	-63.45	410.42	3.21	-60.24
CC(NC(=O)CSC1=NC(=O)NN1)C1CCCCN1C(=O)CN=[N+]=[N-]	REAL300024669061	0	45	0.0	-21.18	368.40	-0.89	-22.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)[C@H](C)[NH+](C)C	REAL300024669076	0	54	0.0	-63.45	410.42	3.21	-60.24
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C[NH+]1CCC1	REAL300024669092	1	52	0.0	-63.95	401.55	3.98	-59.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)[C@@H](C)[NH+](C)C	REAL300024669100	0	54	0.0	-63.44	410.40	3.07	-60.37
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C[NH+]1CC(C)C1	REAL300024669106	1	55	0.0	-64.12	422.72	4.59	-59.53
CC[N@@H+](C)CC(=O)N1CCCCC1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024669120	1	54	0.0	-62.80	409.58	4.16	-58.64
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C=CC[NH+](C)C	REAL300024669134	0	55	0.0	-68.52	429.95	4.05	-64.47
CCN1CCC1C(=O)N1CCCCC1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024669139	0	55	0.0	-65.72	424.60	3.64	-62.08
CC[N@@H+]1CCC1C(=O)N1CCCCC1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024669139	1	55	0.0	-63.89	421.98	4.42	-59.47
CC[N@H+]1CCC1C(=O)N1CCCCC1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024669139	1	55	0.0	-65.72	424.60	3.64	-62.08
CC(C[NH+](C)C)C(=O)N1CCCCC1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024669180	0	57	0.0	-67.49	431.25	3.98	-63.51
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C[N@@H+]1CCC1C	REAL300024669188	1	55	0.0	-60.48	418.26	4.43	-56.05
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C[N@H+]1CCC1C	REAL300024669188	1	55	0.0	-62.83	420.31	3.79	-59.04
CC(NC(=O)C1CCC[N@@H+]1C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669295	0	55	0.0	-61.10	413.87	3.55	-57.55
CC(NC(=O)C1CCC[N@H+]1C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669295	1	55	0.0	-55.02	418.52	3.74	-51.28
CCC(C(=O)NC(C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024669366	0	57	0.0	-52.73	420.12	4.61	-48.12
CCC[N@H+](C)CC(=O)NC(C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669370	0	57	0.0	-56.04	430.97	4.98	-51.06
CCC[N@@H+](C)CC(=O)NC(C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669370	1	57	0.0	-55.76	430.97	4.97	-50.79
CC[N@H+](C)CCC(=O)NC(C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669387	0	57	0.0	-58.07	431.55	4.82	-53.25
CC[N@@H+](C)CCC(=O)NC(C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669387	1	57	0.0	-60.74	433.92	4.06	-56.68
CC[C@@H](C(=O)NC(C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024669427	0	57	0.0	-53.19	424.17	3.95	-49.24
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669473	0	55	0.0	-56.51	418.04	3.84	-52.67
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669473	1	55	0.0	-65.88	412.12	4.91	-60.97
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669527	0	54	0.0	-56.25	411.38	3.71	-52.54
CC(NC(=O)C[NH+]1CC(C)C1)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669551	1	55	0.0	-57.36	424.05	3.95	-53.41
CC[N@H+](C)CC(=O)NC(C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669569	0	54	0.0	-54.08	409.19	4.18	-49.90
CC[N@@H+](C)CC(=O)NC(C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669569	1	54	0.0	-55.54	409.48	4.23	-51.31
CC(C[NH+](C)C)C(=O)NC(C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669599	0	57	0.0	-47.64	431.58	4.78	-42.86
CC(NC(=O)C1([NH+](C)C)CC1)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669602	0	55	0.0	-65.35	414.68	4.94	-60.41
CC(NC(=O)[C@@H](C)[NH+](C)C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669606	0	54	0.0	-51.12	408.69	3.97	-47.15
CC[N@@H+]1CCC1C(=O)NC(C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669609	1	55	0.0	-57.01	417.74	3.84	-53.17
CC[N@H+]1CCC1C(=O)NC(C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669609	1	55	0.0	-56.18	425.53	3.90	-52.28
CC(NC(=O)C(C)(C)[NH+](C)C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669617	0	57	0.0	-64.82	422.00	4.46	-60.36
CC(NC(=O)CN=[N+]=[N-])C1CCCCN1C(=O)CSC1=NC(=O)NN1	REAL300024669663	0	45	0.0	-21.08	368.72	-0.76	-21.84
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669676	0	55	0.0	-60.65	414.02	3.65	-57.00
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669676	1	55	0.0	-52.85	419.45	3.87	-48.98
CC(NC(=O)C[N@H+](C)C1CC1)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669713	0	55	0.0	-54.10	423.10	4.24	-49.86
CC(NC(=O)C[N@@H+](C)C1CC1)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669713	1	55	0.0	-55.15	423.09	4.24	-50.91
CC(NC(=O)CC1C[NH+](C)C1)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669741	0	55	0.0	-63.42	425.25	3.66	-59.76
CC(NC(=O)C[NH+](C)C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669744	0	51	0.0	-57.67	393.82	2.77	-54.90
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669747	0	54	0.0	-56.25	411.38	3.71	-52.54
CC(NC(=O)C[N@@H+]1CCC1C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669754	1	55	0.0	-55.27	422.76	4.70	-50.57
CC(NC(=O)C[N@H+]1CCC1C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669754	1	55	0.0	-54.52	417.05	4.42	-50.10
CC(NC(=O)C=CC[NH+](C)C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669755	0	55	0.0	-66.15	431.19	4.06	-62.09
CC[NH+](CC)CC(=O)NC(C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669761	0	57	0.0	-52.43	426.98	4.87	-47.56
CC(NC(=O)C[NH+]1CCC1)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669762	1	52	0.0	-56.20	404.07	3.22	-52.98
CC(NC(=O)C(C)[NH+]1CCC1)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669784	1	55	0.0	-51.46	421.24	4.56	-46.90
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024669848	0	55	0.0	-65.25	403.91	3.20	-62.05
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300024669848	1	55	0.0	-61.67	416.49	4.02	-57.65
C[NH+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1	REAL300024669963	0	54	0.0	-68.88	405.08	2.66	-66.22
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1)[NH+](C)C	REAL300024669968	0	57	0.0	-67.88	422.86	3.14	-64.74
[N-]=[N+]=NCC(=O)NCC1(NC(=O)CSC2=NC(=O)NN2)CCCCCC1	REAL300024669971	0	48	0.0	-24.51	386.02	-1.90	-26.41
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1)[NH+](C)C	REAL300024669981	0	57	0.0	-67.88	422.86	3.14	-64.74
C[C@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1)[NH+](C)C	REAL300024669994	0	57	0.0	-65.40	423.25	3.07	-62.33
CC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1	REAL300024670006	0	57	0.0	-67.90	422.88	3.35	-64.55
CC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1	REAL300024670006	1	57	0.0	-68.09	422.87	3.35	-64.74
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1)[NH+](C)C	REAL300024670136	0	57	0.0	-67.37	426.78	2.98	-64.39
CC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1	REAL300024670154	0	57	0.0	-69.37	426.78	3.17	-66.20
CC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1	REAL300024670154	1	57	0.0	-67.98	423.56	3.31	-64.67
C[C@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1)[NH+](C)C	REAL300024670163	0	57	0.0	-67.33	421.97	3.00	-64.33
[N-]=[N+]=NCC(=O)NC1(CNC(=O)CSC2=NC(=O)NN2)CCCCCC1	REAL300024670184	0	48	0.0	-24.09	386.02	-1.89	-25.98
C[NH+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1	REAL300024670206	0	54	0.0	-68.52	405.80	2.63	-65.89
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1)[NH+](C)C	REAL300024670209	0	57	0.0	-67.37	426.78	2.98	-64.39
CCN(CCCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670406	0	51	0.0	-70.52	410.36	2.11	-68.41
CCN(CCCNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670406	1	51	0.0	-70.44	410.29	2.10	-68.34
CCN(CCCNC(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670430	1	52	0.0	-75.99	416.51	1.74	-74.25
CCN(CCCNC(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670430	1	52	0.0	-69.68	416.53	1.73	-67.95
CCN(CCCNC(=O)C1CCC[N@@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670573	0	57	0.0	-65.86	449.05	3.67	-62.19
CCN(CCCNC(=O)C1CCC[N@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670573	1	57	0.0	-68.51	443.15	3.83	-64.68
CCN(CCCNC(=O)CN1C=C[NH+]=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670595	1	49	0.0	-67.18	419.71	3.16	-64.02
CCN(CCCNC(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670613	0	55	0.0	-72.87	427.63	3.23	-69.64
CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670639	0	54	0.0	-74.76	422.80	2.39	-72.37
CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670639	1	54	0.0	-70.11	428.34	2.92	-67.19
CC[C@@H]1[C@@H](C(=O)NCCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024670641	0	57	0.0	-71.29	447.29	3.22	-68.07
CC[C@@H]1[C@@H](C(=O)NCCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024670641	1	57	0.0	-70.82	452.73	3.54	-67.28
CCN(CCCNC(=O)C[NH+]1C(C)CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670688	0	57	0.0	-66.13	443.28	3.31	-62.82
CCN(CCCNC(=O)CCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670690	0	57	0.0	-72.01	456.08	3.96	-68.05
CCN(CCCNC(=O)CC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670692	0	57	0.0	-71.51	449.80	3.83	-67.68
CCN(CCCNC(=O)C1CCCC[N@@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670695	0	57	0.0	-66.26	440.63	3.64	-62.62
CCN(CCCNC(=O)C1CCCC[N@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670695	1	57	0.0	-67.21	440.61	3.64	-63.57
CCN(CCCNC(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670704	0	54	0.0	-72.05	417.10	2.97	-69.08
CCN(CCCNC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670710	0	56	0.0	-69.04	437.66	3.78	-65.26
CCN(CCCNC(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670728	0	54	0.0	-68.39	432.38	3.40	-64.99
CCN(CCCNC(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670728	1	54	0.0	-68.02	436.51	3.53	-64.49
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670778	1	53	0.0	-68.24	432.94	3.20	-65.04
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670778	1	53	0.0	-67.13	438.78	3.71	-63.42
CCN(CCCNC(=O)CCC1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670783	0	57	0.0	-71.42	452.24	3.58	-67.84
CCN(CCCNC(=O)CCC1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670783	1	57	0.0	-74.22	457.67	4.05	-70.17
CCN(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670799	0	54	0.0	-73.97	430.85	3.09	-70.88
CCN(CCCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670822	0	54	0.0	-67.48	418.91	2.85	-64.63
CCN(CCCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670822	1	54	0.0	-67.65	422.96	2.97	-64.68
CCN(CCCNC(=O)CN1C=[NH+]C=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670880	1	49	0.0	-70.66	414.97	3.73	-66.93
CCN(CCCNC(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670896	0	55	0.0	-68.81	430.98	3.42	-65.39
CCN(CCCNC(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670901	0	54	0.0	-73.36	436.61	3.14	-70.22
CCN(CCCNC(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670901	1	54	0.0	-74.51	436.82	3.14	-71.37
CCC(C(=O)NCCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024670907	0	53	0.0	-68.18	420.93	2.55	-65.63
CCN(CCCNC(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670948	0	56	0.0	-74.30	455.65	3.69	-70.61
CCN(CCCNC(=O)C(C(C)C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670958	0	56	0.0	-69.38	438.06	3.26	-66.12
CCC[N@H+](C)CCC(=O)NCCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670959	0	56	0.0	-72.92	447.84	3.38	-69.54
CCC[N@@H+](C)CCC(=O)NCCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670959	1	56	0.0	-72.96	451.88	3.51	-69.45
CCC[N@H+](C)CC(=O)NCCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670962	0	53	0.0	-70.25	429.51	2.96	-67.29
CCC[N@@H+](C)CC(=O)NCCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670962	1	53	0.0	-70.13	425.48	2.83	-67.30
CCN(CCCNC(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670971	0	55	0.0	-73.97	432.22	2.78	-71.19
CCN(CCCNC(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670971	1	55	0.0	-71.59	427.90	2.64	-68.95
CCN(CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670992	0	51	0.0	-67.09	412.59	2.50	-64.59
CCN(CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670992	1	51	0.0	-68.12	410.36	2.11	-66.01
CCN(CCCNC(=O)C[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671019	0	53	0.0	-68.70	421.87	2.63	-66.07
CCN(CCCNC(=O)C[NH+]1CCC(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671072	0	57	0.0	-70.56	453.24	4.04	-66.52
CCN(CCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671090	0	54	0.0	-73.83	437.89	3.19	-70.64
CCN(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671136	0	54	0.0	-73.97	430.85	3.09	-70.88
CCN(CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671151	0	56	0.0	-67.91	436.60	3.52	-64.39
CCN(CCCNC(=O)CC[N@H+](C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671207	0	53	0.0	-72.19	430.38	2.77	-69.42
CCN(CCCNC(=O)CC[N@@H+](C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671207	1	53	0.0	-72.15	426.35	2.65	-69.50
CCN(CCCNC(=O)C[N@@H+]1CCCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671229	0	54	0.0	-67.61	435.44	3.32	-64.29
CCN(CCCNC(=O)C[N@H+]1CCCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671229	1	54	0.0	-67.16	436.32	3.20	-63.96
CCN(CCCNC(=O)C[N@@H+]1CCC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671230	0	54	0.0	-69.33	435.67	3.23	-66.10
CCN(CCCNC(=O)C[N@H+]1CCC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671230	1	54	0.0	-69.34	432.32	3.17	-66.17
CCN(CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671231	0	57	0.0	-69.49	451.82	3.68	-65.81
CCN(CCCNC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671231	1	57	0.0	-69.31	455.32	3.80	-65.51
CC[C@@H](C(=O)NCCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024671238	0	53	0.0	-67.88	416.49	2.45	-65.43
CCN(CCCNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671308	0	47	0.0	-70.76	390.29	1.55	-69.21
CCN(CCCNC(=O)C[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671311	0	57	0.0	-69.28	441.37	3.61	-65.67
CCN(CCCNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671313	0	49	0.0	-68.01	417.49	4.93	-63.08
CCN(CCCNC(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671316	0	54	0.0	-71.74	430.82	3.04	-68.70
CCN(CCCNC(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671316	1	54	0.0	-71.29	430.83	3.05	-68.24
CCN(CCCNC(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671321	0	55	0.0	-65.10	446.13	4.06	-61.04
CCN(CCCNC(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671321	1	55	0.0	-68.91	440.77	3.42	-65.49
CCN(CCCNC(=O)C(C)[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671331	1	51	0.0	-67.73	416.26	2.36	-65.37
CCN(CCCNC(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671339	0	56	0.0	-65.79	437.81	3.25	-62.54
CCN(CCCNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671350	0	51	0.0	-67.86	415.66	2.83	-65.03
CCN(CCCNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671350	1	51	0.0	-67.67	415.66	2.83	-64.84
CCN(CCCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671364	0	51	0.0	-72.87	421.73	2.37	-70.50
CCN(CCCNC(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671374	0	57	0.0	-67.57	435.62	2.72	-64.85
CCN(CCCNC(=O)C1CC[N@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671374	1	57	0.0	-66.87	434.98	3.06	-63.81
CCN(CCCNC(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671383	0	50	0.0	-69.43	404.36	1.82	-67.61
CCN(CCCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024671390	0	41	0.0	-24.01	367.23	-2.86	-26.87
CCN(CCCNC(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024671431	0	47	0.0	-66.35	417.36	1.73	-64.62
CCN(CCCNC(=O)CC[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671436	0	54	0.0	-71.71	436.71	-0.58	-72.29
CCN(CCCNC(=O)CC[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671436	1	54	0.0	-72.05	440.71	-0.48	-72.53
CCN(CCCNC(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671437	0	50	0.0	-69.43	404.36	1.82	-67.61
CCN(CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671440	0	54	0.0	-65.97	428.21	3.02	-62.95
CCN(CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671440	1	54	0.0	-67.49	418.90	2.84	-64.65
CCN(CCCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671484	1	48	0.0	-70.37	400.38	1.97	-68.40
CCN(CCCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671496	0	52	0.0	-74.98	429.13	3.09	-71.89
CCN(CCCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671496	1	52	0.0	-75.29	428.18	3.11	-72.18
CCN(CCCNC(=O)COCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671514	0	54	0.0	-71.33	446.16	2.60	-68.73
C=CCC(C)(C(=O)NCCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024671525	0	57	0.0	-64.75	445.65	3.60	-61.15
CCN(CCCNC(=O)CN1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671556	0	51	0.0	-70.33	417.53	2.52	-67.81
CCN(CCCNC(=O)C[NH+]1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671556	1	51	0.0	-70.33	417.53	2.52	-67.81
CCN(CCCNC(=O)CN(C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671572	0	51	0.0	-71.24	418.37	-1.02	-72.26
CCN(CCCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671572	1	51	0.0	-70.32	418.15	-1.02	-71.34
CCN(CCCNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671572	1	51	0.0	-70.32	418.15	-1.02	-71.34
CCN(CCCNC(=O)C1CCC[N@H+](CC)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671589	0	57	0.0	-64.24	446.22	4.02	-60.22
CCN(CCCNC(=O)C1CCC[N@@H+](CC)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671589	1	57	0.0	-64.24	446.22	4.02	-60.22
CCN(CCCNC(=O)CC(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671591	0	56	0.0	-74.34	447.42	3.52	-70.82
CCN(CCCNC(=O)C[N@H+](C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671594	0	50	0.0	-69.71	403.98	2.09	-67.62
CCN(CCCNC(=O)C[N@H+](CC)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671617	0	54	0.0	-66.37	431.50	3.23	-63.14
CCN(CCCNC(=O)CC[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671625	0	56	0.0	-71.53	443.88	3.19	-68.34
CCN(CCCNC(=O)CN1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671638	0	54	0.0	-70.34	436.86	3.05	-67.29
CCN(CCCNC(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671638	1	54	0.0	-70.34	436.86	3.05	-67.29
CCN(CCCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671653	0	51	0.0	-76.06	427.51	2.80	-73.26
CCN(CCCNC(=O)CN(C)CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671666	0	54	0.0	-71.42	440.62	1.38	-70.04
CCN(CCCNC(=O)C[N@H+](C)CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671666	1	54	0.0	-69.99	440.39	1.38	-68.61
CCN(CCCNC(=O)C[N@@H+](C)CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671666	1	54	0.0	-69.99	440.39	1.38	-68.61
CCN(CCCNC(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671682	0	57	0.0	-73.72	441.40	3.75	-69.97
CCN(CCCNC(=O)CCC(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671684	0	56	0.0	-71.79	447.57	3.28	-68.51
CCN(CCCNC(=O)C1CCN1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671690	0	51	0.0	-69.36	421.92	2.58	-66.78
CCN(CCCNC(=O)C1CC[N@@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671690	1	51	0.0	-67.63	411.05	2.15	-65.48
CCN(CCCNC(=O)C1CC[N@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671690	1	51	0.0	-67.63	411.05	2.15	-65.48
CCN(CCCNC(=O)C1(C)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671714	0	57	0.0	-67.50	443.51	3.50	-64.00
C=CCC(C(=O)NCCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024671730	0	54	0.0	-67.61	433.95	3.03	-64.58
CCN(CCCNC(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671737	0	57	0.0	-69.66	446.14	3.14	-66.52
CCN(CCCNC(=O)C1CC(C)(C)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671737	1	57	0.0	-69.66	446.14	3.14	-66.52
CCCC(C(=O)NCCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024671754	0	56	0.0	-69.36	442.19	3.33	-66.03
CCN(CCCNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671757	0	53	0.0	-70.79	417.75	2.74	-68.05
CCN(CCCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671777	0	54	0.0	-67.65	422.96	2.97	-64.68
CCN(CCCNC(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671796	0	55	0.0	-69.88	445.39	3.75	-66.13
CCN(CCCNC(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671796	1	55	0.0	-69.88	445.39	3.75	-66.13
CCN(CCCNC(=O)C=CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671825	0	55	0.0	-74.54	446.81	3.70	-70.84
CCN(CCCNC(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671850	0	54	0.0	-71.61	434.58	3.16	-68.45
CCN(CCCNC(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671870	0	54	0.0	-73.90	422.52	-0.11	-74.01
CCN(CCCNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671874	0	52	0.0	-72.63	422.33	2.74	-69.89
CCN(CCCNC(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671879	0	55	0.0	-68.03	432.66	3.51	-64.52
CCN(CCCNC(=O)C[N@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671879	1	55	0.0	-68.03	432.66	3.51	-64.52
CCN(CCCNC(=O)CN1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671913	0	53	0.0	-68.34	429.63	3.52	-64.82
CCN(CCCNC(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671913	1	53	0.0	-66.37	425.35	3.30	-63.07
CCN(CCCNC(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671913	1	53	0.0	-66.37	425.35	3.30	-63.07
CCN(CCCNC(=O)C(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671940	0	53	0.0	-65.40	428.48	2.91	-62.49
CCN(CCCNC(=O)CC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671976	0	57	0.0	-73.25	449.51	3.74	-69.51
CCN(CCCNC(=O)CC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671976	1	57	0.0	-73.25	449.51	3.74	-69.51
CCN(CCCNC(=O)CN1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671987	0	51	0.0	-69.39	421.62	2.63	-66.76
CCN(CCCNC(=O)C[N@@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671987	1	51	0.0	-68.39	416.07	2.36	-66.03
CCN(CCCNC(=O)C[N@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671987	1	51	0.0	-68.39	416.07	2.36	-66.03
CCN(CCCNC(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671989	0	54	0.0	-76.11	442.88	0.59	-75.52
CCN(CCCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024672041	0	54	0.0	-70.55	435.92	3.15	-67.40
CCN(CCCNC(=O)C(C)CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024672045	0	56	0.0	-72.85	450.32	3.45	-69.40
CCN(CCCNC(=O)CN1CCN(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024672060	0	56	0.0	-73.00	445.65	0.94	-72.06
CCN(CCCNC(=O)CN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024672060	1	56	0.0	-73.00	445.65	0.94	-72.06
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024672229	0	51	0.0	-69.38	414.91	2.37	-67.01
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024672229	1	51	0.0	-70.25	413.88	2.34	-67.91
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300024672255	1	52	0.0	-77.07	417.99	1.65	-75.42
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300024672255	1	52	0.0	-83.41	420.99	1.67	-81.74
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+]1CCC2	REAL300024672411	0	55	0.0	-67.89	424.31	2.64	-65.25
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300024672432	0	54	0.0	-75.89	436.73	3.11	-72.78
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300024672432	1	54	0.0	-74.99	437.27	3.10	-71.89
CCC(C(=O)N(CC)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024672438	0	53	0.0	-70.69	418.10	2.45	-68.24
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300024672467	0	56	0.0	-75.62	451.61	3.54	-72.08
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C(C)C)[NH+](C)C	REAL300024672479	0	56	0.0	-72.52	429.38	2.71	-69.81
CCC[N@H+](C)CCC(=O)N(CC)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024672480	0	56	0.0	-75.42	451.88	3.48	-71.94
CCC[N@@H+](C)CCC(=O)N(CC)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024672480	1	56	0.0	-75.20	447.85	3.36	-71.84
CCC[N@H+](C)CC(=O)N(CC)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024672483	0	53	0.0	-72.30	429.52	2.88	-69.42
CCC[N@@H+](C)CC(=O)N(CC)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024672483	1	53	0.0	-72.31	429.51	2.88	-69.43
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@H+](C1)CCC2	REAL300024672492	0	55	0.0	-81.32	419.50	2.21	-79.11
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300024672492	1	55	0.0	-70.69	414.95	2.04	-68.65
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(C)CC1	REAL300024672516	0	57	0.0	-72.73	449.04	3.83	-68.90
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300024672553	0	54	0.0	-71.93	435.01	2.95	-68.98
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CC	REAL300024672570	0	53	0.0	-74.42	426.35	2.61	-71.81
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CC	REAL300024672570	1	53	0.0	-74.55	430.38	2.75	-71.80
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCC1CC2	REAL300024672581	0	55	0.0	-78.79	424.14	2.87	-75.92
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024672618	0	54	0.0	-77.72	431.57	2.96	-74.76
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H](C(C)C)[NH+](C)C	REAL300024672633	0	56	0.0	-69.14	430.23	2.87	-66.27
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300024672693	0	54	0.0	-67.81	407.73	2.22	-65.59
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCCC1C	REAL300024672727	0	54	0.0	-68.86	429.03	2.86	-66.00
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCCC1C	REAL300024672727	1	54	0.0	-69.56	434.87	3.26	-66.30
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C(C)C	REAL300024672753	0	57	0.0	-65.42	444.62	3.22	-62.20
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C(C)C	REAL300024672753	1	57	0.0	-69.11	436.83	3.37	-65.74
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C(C)C)[NH+](C)C	REAL300024672760	0	56	0.0	-69.15	430.72	2.88	-66.27
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)C1	REAL300024672770	0	54	0.0	-71.39	435.67	3.16	-68.23
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)C1	REAL300024672770	1	54	0.0	-71.76	435.63	3.23	-68.53
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024672771	0	57	0.0	-71.38	455.33	3.73	-67.65
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300024672771	1	57	0.0	-71.86	455.70	3.70	-68.16
CC[C@@H](C(=O)N(CC)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024672778	0	53	0.0	-71.44	417.75	2.43	-69.01
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=C[NH+]=C1C	REAL300024672856	1	49	0.0	-68.75	415.68	2.96	-65.79
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=[NH+]C=C1C	REAL300024672914	1	49	0.0	-71.64	419.00	3.78	-67.86
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024672918	0	54	0.0	-76.36	423.22	2.35	-74.01
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024672918	1	54	0.0	-74.18	431.84	3.24	-70.94
CC[C@@H]1[C@@H](C(=O)N(CC)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024672920	0	57	0.0	-74.18	445.62	3.04	-71.14
CC[C@@H]1[C@@H](C(=O)N(CC)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024672920	1	57	0.0	-71.13	448.50	3.44	-67.69
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1C(C)CCC1C	REAL300024672925	0	57	0.0	-68.22	447.44	3.37	-64.85
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCC1	REAL300024672927	0	57	0.0	-73.85	460.11	4.05	-69.80
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCC1	REAL300024672930	0	57	0.0	-73.99	453.83	3.91	-70.08
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1CC	REAL300024672933	0	57	0.0	-70.88	442.61	3.50	-67.38
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1CC	REAL300024672933	1	57	0.0	-68.58	446.60	3.60	-64.98
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300024673010	0	54	0.0	-70.43	436.40	3.44	-66.99
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300024673010	1	54	0.0	-70.10	432.47	3.34	-66.76
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024673030	0	54	0.0	-77.72	431.57	2.96	-74.76
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024673052	0	51	0.0	-70.36	412.87	2.28	-68.08
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024673052	1	51	0.0	-70.97	409.93	2.03	-68.94
C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024673069	1	53	0.0	-69.02	437.46	3.28	-65.74
C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024673069	1	53	0.0	-70.31	438.23	3.49	-66.82
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL300024673074	0	57	0.0	-72.44	452.23	3.55	-68.89
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL300024673074	1	57	0.0	-76.67	453.86	3.86	-72.81
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024673133	0	54	0.0	-69.43	428.51	2.95	-66.48
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024673133	1	54	0.0	-71.60	418.92	2.53	-69.07
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+](C)C1C	REAL300024673178	0	54	0.0	-71.69	428.93	2.59	-69.10
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+](C)C1C	REAL300024673178	1	54	0.0	-75.91	431.41	2.71	-73.20
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024673225	0	57	0.0	-68.91	427.32	2.97	-65.94
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300024673225	1	57	0.0	-69.34	450.17	3.08	-66.26
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL300024673237	0	50	0.0	-71.38	404.39	1.75	-69.63
C=CCC(C)(C(=O)N(CC)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024673249	0	57	0.0	-69.22	423.38	2.71	-66.51
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024673261	0	54	0.0	-74.03	438.61	3.24	-70.79
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024673267	1	51	0.0	-72.71	414.33	-1.21	-73.92
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024673267	1	51	0.0	-72.86	418.14	-1.10	-73.96
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@H+](C)CC1	REAL300024673312	0	55	0.0	-71.45	449.42	3.84	-67.61
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300024673312	1	55	0.0	-69.68	445.39	3.72	-65.96
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)C1	REAL300024673352	1	51	0.0	-72.36	417.52	2.44	-69.92
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](CC)C1	REAL300024673357	0	57	0.0	-65.59	442.84	3.81	-61.78
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](CC)C1	REAL300024673357	1	57	0.0	-72.83	444.10	3.41	-69.42
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300024673368	0	55	0.0	-67.36	446.54	3.78	-63.58
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C1CC1	REAL300024673368	1	55	0.0	-69.18	435.70	3.21	-65.97
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300024673387	0	55	0.0	-76.35	451.86	3.85	-72.50
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CC	REAL300024673422	0	50	0.0	-72.00	408.01	2.14	-69.86
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC2C=CC1C2	REAL300024673449	0	53	0.0	-70.45	429.51	3.47	-66.98
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024673449	1	53	0.0	-70.47	429.50	3.47	-67.00
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300024673449	1	53	0.0	-70.47	429.50	3.47	-67.00
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN(C)CCOC	REAL300024673522	0	54	0.0	-72.94	436.58	1.19	-71.75
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCOC	REAL300024673522	1	54	0.0	-72.61	440.39	1.30	-71.31
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCOC	REAL300024673522	1	54	0.0	-72.61	440.39	1.30	-71.31
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC(C)[NH+](C)C	REAL300024673525	0	56	0.0	-72.87	443.60	3.15	-69.72
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](CC)C1CC1	REAL300024673537	0	54	0.0	-69.49	436.64	3.45	-66.04
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024673561	0	52	0.0	-73.85	406.64	2.60	-71.25
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300024673568	0	55	0.0	-69.33	434.46	3.39	-65.94
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2CCC1C2	REAL300024673568	1	55	0.0	-69.33	434.46	3.39	-65.94
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)C[NH+](C)C	REAL300024673581	0	53	0.0	-71.78	423.42	2.42	-69.36
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1CC	REAL300024673608	0	51	0.0	-70.25	415.90	2.26	-67.99
CCCC(C(=O)N(CC)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024673642	0	56	0.0	-69.55	435.41	3.02	-66.53
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024673646	0	53	0.0	-73.17	400.50	1.88	-71.29
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)CC[NH+](C)C	REAL300024673659	0	56	0.0	-71.62	445.11	3.07	-68.55
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024673706	0	57	0.0	-68.35	451.01	3.34	-65.01
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300024673706	1	57	0.0	-68.35	451.01	3.34	-65.01
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCN(C)CC1	REAL300024673713	0	56	0.0	-72.99	449.80	1.00	-71.99
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC[NH+](C)CC1	REAL300024673713	1	56	0.0	-72.99	449.80	1.00	-71.99
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024673775	0	52	0.0	-72.32	425.61	3.35	-68.97
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024673790	0	54	0.0	-71.60	418.92	2.53	-69.07
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024673790	1	54	0.0	-71.60	418.92	2.53	-69.07
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024673845	0	52	0.0	-76.42	429.19	3.13	-73.29
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024673845	1	52	0.0	-76.42	429.19	3.13	-73.29
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC1=CC=[NH+]C=C1	REAL300024673847	0	50	0.0	-73.04	426.00	0.75	-72.29
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCCC1	REAL300024673896	0	57	0.0	-76.07	428.53	2.81	-73.26
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024673912	0	51	0.0	-67.42	409.76	2.18	-65.24
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024673912	1	51	0.0	-67.42	409.76	2.18	-65.24
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024673986	0	54	0.0	-71.26	435.31	3.04	-68.22
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CC[NH+](C)C)CC1	REAL300024673993	0	57	0.0	-76.49	458.05	3.77	-72.72
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@@H+]1C	REAL300024673994	0	55	0.0	-76.58	441.64	3.59	-72.99
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@H+]1C	REAL300024673994	1	55	0.0	-76.58	441.64	3.59	-72.99
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300024674021	0	54	0.0	-72.81	442.12	2.48	-70.33
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=CSC1=[NH2+]	REAL300024674044	0	47	0.0	-68.51	413.32	1.53	-66.98
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300024674095	0	54	0.0	-72.11	432.50	3.38	-68.73
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300024674096	0	54	0.0	-73.88	431.70	2.91	-70.97
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300024674096	1	54	0.0	-74.54	426.44	2.76	-71.78
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCCC1	REAL300024674097	0	57	0.0	-71.69	437.32	3.41	-68.28
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024674099	0	49	0.0	-69.75	421.51	4.99	-64.76
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024674118	1	51	0.0	-69.26	419.55	2.89	-66.37
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(C)C[NH+](C)C	REAL300024674132	0	56	0.0	-74.74	443.44	3.40	-71.34
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024674223	0	51	0.0	-73.83	421.73	2.33	-71.50
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024674232	0	47	0.0	-72.56	386.25	1.35	-71.21
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300024674245	0	54	0.0	-74.27	440.73	-0.48	-74.75
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300024674245	1	54	0.0	-73.65	436.68	-0.62	-74.27
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL300024674246	0	50	0.0	-71.38	404.39	1.75	-69.63
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@@H+]1C	REAL300024674259	0	57	0.0	-66.12	438.01	3.46	-62.66
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@H+]1C	REAL300024674259	1	57	0.0	-75.54	449.36	3.70	-71.84
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1CC(C)C1	REAL300024674269	0	54	0.0	-70.33	424.32	2.61	-67.72
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC1C	REAL300024674271	0	51	0.0	-71.18	417.61	2.43	-68.75
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC1C	REAL300024674271	1	51	0.0	-71.13	417.57	2.43	-68.70
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024674277	0	51	0.0	-77.31	424.50	2.70	-74.61
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024674282	1	54	0.0	-72.60	441.12	3.15	-69.45
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](CC)CC	REAL300024674316	0	53	0.0	-70.51	422.47	2.72	-67.79
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024674325	1	48	0.0	-72.70	400.38	1.89	-70.81
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+](CC)CC	REAL300024674352	0	56	0.0	-73.88	439.85	3.04	-70.84
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1CCC1	REAL300024674402	0	51	0.0	-71.51	410.73	1.95	-69.56
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300024674411	0	56	0.0	-69.93	418.14	2.42	-67.51
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024674438	0	54	0.0	-68.77	430.20	3.02	-65.75
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300024674438	1	54	0.0	-71.43	420.46	2.62	-68.81
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(O)C[NH+](C)C	REAL300024674455	0	54	0.0	-77.99	438.86	0.42	-77.57
C=CCC(C(=O)N(CC)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024674474	0	54	0.0	-68.12	427.39	2.73	-65.39
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC[NH+](C)CC1	REAL300024674484	0	57	0.0	-71.47	433.53	2.93	-68.54
CCN(CCCNC(=O)CSC(N)=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024674505	0	45	0.0	-72.37	398.21	-1.50	-73.87
CCN(CCCNC(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024674525	0	57	0.0	-69.84	466.02	4.09	-65.75
CCN(CCCNC(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024674526	0	55	0.0	-73.36	441.52	3.60	-69.76
CCN(CCCNC(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024674526	1	55	0.0	-74.03	441.47	3.60	-70.43
CCC1CN(CC(=O)NCCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024674604	0	54	0.0	-70.99	438.92	3.28	-67.71
CCC1C[NH+](CC(=O)NCCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024674604	1	54	0.0	-70.99	438.92	3.28	-67.71
CCN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024674609	0	51	0.0	-67.11	416.35	2.58	-64.53
CCN(CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024674609	1	51	0.0	-67.11	416.35	2.58	-64.53
CCN(CCCNC(=O)C1CC[N@H+](C)C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024674626	0	54	0.0	-70.73	431.48	2.75	-67.98
CCN(CCCNC(=O)C1CC[N@@H+](C)C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024674626	1	54	0.0	-70.73	431.48	2.75	-67.98
C[N@@H+]1CCCC1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024674862	0	52	0.0	-70.44	414.89	2.71	-67.73
C[N@H+]1CCCC1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024674862	1	52	0.0	-70.44	414.89	2.71	-67.73
CN1CCOC(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024674886	0	53	0.0	-75.72	430.59	2.46	-73.26
C[N@@H+]1CCOC(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024674886	1	53	0.0	-79.92	430.59	2.46	-77.46
C[N@H+]1CCOC(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024674886	1	53	0.0	-79.92	430.59	2.46	-77.46
CC1=NC=CN1CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675025	0	50	0.0	-66.36	425.43	3.61	-62.75
CC1=[NH+]C=CN1CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675025	1	50	0.0	-66.36	425.43	3.61	-62.75
C[C@@H]1[C@H](C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024675043	0	55	0.0	-67.69	435.19	3.74	-63.95
C[C@@H]1[C@H](C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024675043	1	55	0.0	-67.69	435.19	3.74	-63.95
C[NH+](C)C1(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCC1	REAL300024675063	0	55	0.0	-69.57	430.09	3.09	-66.48
CC(C)[C@@H](C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024675065	0	57	0.0	-69.18	445.18	4.24	-64.94
C[N@H+](CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024675074	0	55	0.0	-67.87	442.12	3.97	-63.90
C[N@@H+](CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024675074	1	55	0.0	-67.87	442.12	3.97	-63.90
C[NH+]1CCC(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024675098	0	55	0.0	-73.28	440.58	3.66	-69.62
C[N@@H+]1CCCCC1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675104	0	55	0.0	-67.06	426.91	3.34	-63.72
CC1=CN=CN1CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675121	0	50	0.0	-69.05	421.92	4.29	-64.76
CC1=C[NH+]=CN1CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675121	1	50	0.0	-69.05	421.92	4.29	-64.76
C[N@@H+]1CCC(CC(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024675131	0	55	0.0	-72.44	442.32	3.60	-68.84
C[N@H+]1CCC(CC(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024675131	1	55	0.0	-72.44	442.32	3.60	-68.84
CCC(C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024675134	0	54	0.0	-66.22	426.60	3.02	-63.20
C[NH+](C)CCCCC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675148	0	57	0.0	-73.41	461.36	4.14	-69.27
CC(C)C(C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024675151	0	57	0.0	-66.73	445.28	4.17	-62.56
CCC[N@H+](C)CCC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675152	0	57	0.0	-70.58	454.80	3.95	-66.63
CCC[N@@H+](C)CCC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675152	1	57	0.0	-72.12	457.60	3.94	-68.18
CCC[N@H+](C)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675153	0	54	0.0	-67.72	432.43	3.41	-64.31
CCC[N@@H+](C)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675153	1	54	0.0	-69.62	435.23	3.40	-66.22
C[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675168	0	52	0.0	-69.84	412.92	2.45	-67.39
C[N@H+]1CCC[C@@H]1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675168	1	52	0.0	-64.41	419.68	2.99	-61.42
CC[NH+](CC)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675180	0	54	0.0	-67.89	427.26	3.09	-64.80
C[NH+](C)CC1(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024675234	0	55	0.0	-72.58	445.45	3.74	-68.84
C[NH+]1CCC(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024675256	0	55	0.0	-73.28	440.58	3.66	-69.62
CC(C)[C@H](C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024675271	0	57	0.0	-64.89	442.76	4.15	-60.74
CC[N@H+](C)CCC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675298	0	54	0.0	-71.44	436.10	3.20	-68.24
CC[N@@H+](C)CCC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675298	1	54	0.0	-71.39	436.10	3.20	-68.19
CC1CCC[N@@H+]1CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675308	0	55	0.0	-65.71	440.68	3.82	-61.89
CC1CCC[N@H+]1CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675308	1	55	0.0	-65.36	438.37	3.77	-61.59
CC1CC[N@H+](CC(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024675309	0	55	0.0	-67.26	439.08	3.76	-63.50
CC1CC[N@@H+](CC(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024675309	1	55	0.0	-67.74	439.48	3.73	-64.01
CC[C@@H](C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024675311	0	54	0.0	-67.86	426.67	3.00	-64.86
C[NH+](C)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675347	0	48	0.0	-70.07	396.00	2.00	-68.07
CN1C=C[N+](CC(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1	REAL300024675348	0	50	0.0	-67.40	427.23	5.51	-61.89
C[N@@H+]1CCCC(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024675351	0	55	0.0	-64.17	434.59	3.81	-60.36
C[N@H+]1CCCC(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024675351	1	55	0.0	-69.93	437.77	3.62	-66.31
CC(C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CCC1	REAL300024675358	1	52	0.0	-66.97	422.77	3.22	-63.75
C[NH+](C)CC(C)(C)C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675361	0	57	0.0	-65.21	445.02	3.82	-61.39
C[N@H+](CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024675368	0	52	0.0	-66.70	425.27	3.40	-63.30
C[N@@H+](CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024675368	1	52	0.0	-65.88	422.61	3.40	-62.48
C[NH+]1CC(CC(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024675379	0	52	0.0	-72.07	427.44	2.82	-69.25
C[C@@H](C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024675391	0	51	0.0	-66.67	410.42	2.44	-64.23
[N-]=[N+]=NCC(=O)NCCCN(C(=O)CSC1=NC(=O)NN1)C1CC1	REAL300024675398	0	42	0.0	-23.19	371.22	-2.48	-25.67
C[C@@H](C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024675429	0	51	0.0	-66.67	410.42	2.44	-64.23
C[N@@H+]1CCCC[C@@H]1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675432	0	55	0.0	-68.37	425.71	3.31	-65.06
C[N@H+]1CCCC[C@@H]1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675432	1	55	0.0	-64.08	435.78	3.81	-60.27
O=C(C[NH+]1CCC1)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675459	1	49	0.0	-69.67	406.09	2.42	-67.25
C[N@@H+]1CCC(=CC(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024675468	0	53	0.0	-74.22	433.10	3.48	-70.74
C[N@H+]1CCC(=CC(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024675468	1	53	0.0	-74.57	433.11	3.47	-71.10
C[C@H](C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024675486	0	51	0.0	-65.39	411.38	2.40	-62.99
CC1C[NH+](CC(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024675502	1	52	0.0	-68.08	424.48	3.09	-64.99
C[N@H+](CCO)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675515	1	52	0.0	-70.51	424.09	-0.57	-71.08
C[N@@H+](CCO)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675515	1	52	0.0	-69.57	423.91	-0.58	-70.15
CC(CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024675527	0	57	0.0	-72.26	453.19	4.00	-68.26
CC[N@H+](C)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675529	0	51	0.0	-67.54	410.94	2.66	-64.88
CC[N@@H+](C)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675529	1	51	0.0	-67.66	410.93	2.66	-65.00
CC[N@H+](CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024675539	0	55	0.0	-65.98	445.52	4.05	-61.93
CC[N@@H+](CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024675539	1	55	0.0	-66.33	434.61	3.89	-62.44
CC[NH+](CC)CCC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675545	0	57	0.0	-70.48	453.67	3.93	-66.55
CC1(C)C[NH+](CC(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024675553	1	55	0.0	-69.01	445.21	3.77	-65.24
C[NH+](C)CC=CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675560	0	52	0.0	-75.21	433.23	3.25	-71.96
CC(CCC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024675577	0	57	0.0	-70.50	453.56	3.76	-66.74
CC[N@@H+]1CCC1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675581	1	52	0.0	-67.68	419.07	2.66	-65.02
CC[N@H+]1CCC1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675581	1	52	0.0	-68.47	427.51	2.99	-65.48
C=CCC(C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024675602	0	55	0.0	-66.53	439.26	3.56	-62.97
O=C(C[NH+]1CC2CC2C1)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675610	0	53	0.0	-69.39	431.33	3.88	-65.51
CCCC(C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024675615	0	57	0.0	-66.85	447.36	3.83	-63.02
C[NH+](C)C(C)(C)C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675617	0	54	0.0	-69.36	423.62	3.20	-66.16
C[N@@H+]1CCCCC1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675627	0	55	0.0	-65.95	427.03	3.60	-62.35
C[N@H+]1CCCCC1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675627	1	55	0.0	-67.06	426.91	3.34	-63.72
C[NH+](C)C1(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024675663	0	52	0.0	-68.04	415.69	3.67	-64.37
O=C(CC[NH+]1CCCC1)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675664	0	55	0.0	-69.39	441.54	3.72	-65.67
C[N@@H+]1CC2CC1(C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300024675674	0	53	0.0	-69.15	426.69	3.36	-65.79
C[N@H+]1CC2CC1(C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300024675674	1	53	0.0	-71.41	425.65	3.22	-68.19
CC(C[NH+](C)C)C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675709	0	54	0.0	-71.61	434.40	3.28	-68.33
CC(C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CC(C)C1	REAL300024675729	0	55	0.0	-67.43	445.62	3.68	-63.75
CC1CC[N@@H+]1CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675730	1	52	0.0	-66.62	420.43	2.98	-63.64
CC1CC[N@H+]1CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675730	1	52	0.0	-68.19	425.59	3.00	-65.19
C[NH+](C)[C@H]1C[C@H](C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024675761	0	55	0.0	-70.01	443.83	3.64	-66.37
CC(CC[NH+](C)C)C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675762	0	57	0.0	-72.34	456.04	3.90	-68.44
C[N@@H+]1CCCC1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675931	0	52	0.0	-68.87	413.49	2.59	-66.28
C[N@H+]1CCCC1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024675931	1	52	0.0	-70.16	414.13	2.62	-67.54
C[N@@H+]1CCC(CC(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024676107	0	55	0.0	-75.90	440.61	3.49	-72.41
C[N@H+]1CCC(CC(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024676107	1	55	0.0	-72.00	439.88	3.56	-68.44
CCC(C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024676110	0	54	0.0	-68.94	423.28	3.14	-65.80
C[NH+](C)CCCCC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676120	0	57	0.0	-75.47	459.60	4.03	-71.44
CC(C)C(C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024676123	0	57	0.0	-67.66	434.18	3.43	-64.23
CCC[N@H+](C)CCC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676124	0	57	0.0	-75.54	455.83	3.86	-71.68
CCC[N@@H+](C)CCC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676124	1	57	0.0	-72.84	456.17	4.08	-68.76
CCC[N@H+](C)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676125	0	54	0.0	-72.71	433.74	3.25	-69.46
CCC[N@@H+](C)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676125	1	54	0.0	-71.29	432.95	3.35	-67.94
C[NH+](C)CC1(C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024676164	0	55	0.0	-74.89	444.70	3.51	-71.38
CC[N@H+](C)CCC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676170	0	54	0.0	-74.65	434.34	3.13	-71.52
CC[N@@H+](C)CCC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676170	1	54	0.0	-72.11	434.67	3.34	-68.77
C[NH+]1CCC(C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024676192	0	55	0.0	-73.25	433.76	3.51	-69.74
CC(C)[C@H](C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024676207	0	57	0.0	-68.53	438.40	3.78	-64.75
C[NH+](C)C1(C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCC1	REAL300024676229	0	55	0.0	-73.81	424.70	2.77	-71.04
CC1CCC[N@@H+]1CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676253	0	55	0.0	-67.68	432.09	3.32	-64.36
CC1CCC[N@H+]1CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676253	1	55	0.0	-67.55	433.52	3.46	-64.09
CC(C)[C@@H](C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024676264	0	57	0.0	-69.75	427.36	3.13	-66.62
CC1CC[N@H+](CC(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024676272	0	55	0.0	-70.34	440.03	3.78	-66.56
CC1CC[N@@H+](CC(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024676272	1	55	0.0	-71.58	439.45	3.54	-68.04
CC[C@@H](C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024676274	0	54	0.0	-71.24	427.30	2.72	-68.52
CC1=[NH+]C=CN1CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676311	1	50	0.0	-68.84	423.71	3.46	-65.38
CC1=C[NH+]=CN1CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676329	1	50	0.0	-70.19	422.97	4.25	-65.94
C[C@@H]1[C@H](C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024676330	0	55	0.0	-70.54	431.28	3.17	-67.37
C[C@@H]1[C@H](C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024676330	1	55	0.0	-70.16	428.14	3.32	-66.84
C[N@H+](CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024676360	0	55	0.0	-70.36	440.61	3.82	-66.54
C[N@@H+](CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024676360	1	55	0.0	-70.79	440.56	3.85	-66.94
C[NH+]1CCC(C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024676366	0	55	0.0	-73.25	433.76	3.51	-69.74
C[N@@H+]1CCC[C@@H]1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676379	0	52	0.0	-68.77	414.05	2.65	-66.12
C[N@H+]1CCC[C@@H]1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676379	1	52	0.0	-67.37	414.90	2.84	-64.53
C[N@@H+]1CCCCC1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676422	0	55	0.0	-69.73	423.33	3.18	-66.55
C[N@H+]1CCCCC1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676422	1	55	0.0	-66.75	432.43	3.46	-63.29
CC1C(C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024676451	0	55	0.0	-69.48	431.46	3.00	-66.48
CC1C(C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024676451	1	55	0.0	-70.65	438.21	3.39	-67.26
C[C@@H](C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024676492	0	51	0.0	-69.56	407.59	2.19	-67.37
O=C(CSC1=NNC(=O)[N-]1)NCCCN(C(=O)CC[NH+]1CCCC1)C1CC1	REAL300024676510	0	55	0.0	-71.93	441.36	3.74	-68.19
C[N@H+](CCO)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676515	1	52	0.0	-71.73	421.81	-0.62	-72.35
C[N@@H+](CCO)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676515	1	52	0.0	-73.07	422.46	-0.71	-73.78
CC1C[NH+](CC(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024676558	1	52	0.0	-71.22	423.23	3.07	-68.15
CC[N@H+](C)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676590	0	51	0.0	-72.39	412.24	2.51	-69.88
CC[N@@H+](C)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676590	1	51	0.0	-73.00	413.93	2.56	-70.44
CC(CCC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024676643	0	57	0.0	-77.56	447.78	3.64	-73.92
CC[N@H+](CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024676648	0	55	0.0	-67.19	442.81	4.10	-63.09
CC[N@@H+](CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024676648	1	55	0.0	-67.21	439.57	3.86	-63.35
C[N@@H+]1CC2CC1(C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300024676661	0	53	0.0	-73.92	424.07	3.19	-70.73
C[N@H+]1CC2CC1(C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300024676661	1	53	0.0	-73.48	423.07	2.81	-70.67
CC(C[NH+](C)C)C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676670	0	54	0.0	-72.42	432.67	3.21	-69.21
C[NH+](C)C1(C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024676676	0	52	0.0	-73.92	417.58	2.35	-71.57
C[C@H](C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024676686	0	51	0.0	-68.81	408.46	2.27	-66.54
CC[N@@H+]1CCC1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676689	0	52	0.0	-67.95	418.03	2.68	-65.27
CC[N@H+]1CCC1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676689	1	52	0.0	-69.64	421.38	2.81	-66.83
NC1=CC=[NH+]C=C1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676700	0	48	0.0	-69.43	406.44	-0.02	-69.45
CCCC(C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024676704	0	57	0.0	-69.31	444.79	3.89	-65.42
C[NH+](C)C(C)(C)C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676707	0	54	0.0	-73.30	416.45	2.23	-71.07
CC(CC[NH+](C)C)C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676716	0	57	0.0	-71.42	451.94	3.77	-67.65
O=C(CSC1=NNC(=O)[N-]1)NCCCN(C(=O)C[NH+]1CC2CC2C1)C1CC1	REAL300024676775	0	53	0.0	-73.24	431.48	3.80	-69.44
C[N@@H+]1CCCCC1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676783	0	55	0.0	-69.73	423.33	3.18	-66.55
C[N@H+]1CCCCC1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676783	1	55	0.0	-66.75	432.43	3.46	-63.29
C[N@@H+]1CCC(=CC(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024676808	0	53	0.0	-76.34	431.08	3.42	-72.92
C[N@H+]1CCC(=CC(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024676808	1	53	0.0	-72.97	432.55	3.62	-69.35
[N-]=[N+]=NCC(=O)N(CCCNC(=O)CSC1=NC(=O)NN1)C1CC1	REAL300024676815	0	42	0.0	-24.96	370.08	-2.37	-27.33
CCC1C[NH+](CC(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024676831	0	55	0.0	-71.61	445.81	3.78	-67.83
C[N@@H+]1CCC[C@H]1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676836	0	52	0.0	-67.67	415.56	2.88	-64.79
C[N@H+]1CCC[C@H]1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676836	1	52	0.0	-69.62	413.43	2.58	-67.04
C[NH+](C)[C@H]1C[C@H](C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024676876	0	55	0.0	-71.22	441.76	3.64	-67.58
O=C(CSC1=NNC(=O)[N-]1)NCCCN(C(=O)C[NH+]1CCCCC1)C1CC1	REAL300024676917	0	55	0.0	-70.30	435.44	3.80	-66.50
C[N@@H+]1CCCC(C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024676918	0	55	0.0	-70.75	435.32	3.47	-67.28
C[N@H+]1CCCC(C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024676918	1	55	0.0	-65.38	429.18	3.69	-61.69
CN1C=C[N+](CC(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1	REAL300024676919	0	50	0.0	-68.75	424.35	5.54	-63.21
C[N@H+](CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024676929	0	52	0.0	-68.26	422.31	3.45	-64.81
C[N@@H+](CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024676929	1	52	0.0	-70.32	423.73	3.28	-67.04
CC(CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024676937	0	57	0.0	-78.06	450.85	3.87	-74.19
C[NH+]1CC(CC(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024676986	0	52	0.0	-71.29	425.83	2.86	-68.43
C[NH+](C)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024676993	0	48	0.0	-71.52	394.44	2.08	-69.44
C[C@@H](C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024677001	0	51	0.0	-69.56	407.59	2.19	-67.37
CC(C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CC(C)C1	REAL300024677015	0	55	0.0	-68.13	438.70	3.56	-64.57
CC1CC[N@@H+]1CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024677016	0	52	0.0	-68.78	419.01	2.73	-66.05
CC1CC[N@H+]1CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024677016	1	52	0.0	-71.51	425.50	2.92	-68.59
C[NH+](C)CC=CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024677018	0	52	0.0	-74.40	431.80	3.38	-71.02
CC1(C)C[NH+](CC(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024677022	1	55	0.0	-70.91	445.32	3.70	-67.21
CC[NH+](CC)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024677035	0	54	0.0	-70.87	425.53	2.92	-67.95
O=C(CSC1=NNC(=O)[N-]1)NCCCN(C(=O)C[NH+]1CCC1)C1CC1	REAL300024677040	1	49	0.0	-70.91	403.44	2.39	-68.52
CC[NH+](CC)CCC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024677058	0	57	0.0	-74.05	447.71	3.53	-70.52
CC(C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CCC1	REAL300024677086	0	52	0.0	-68.19	419.02	2.89	-65.30
C[NH+](C)CC(C)(C)C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024677090	0	57	0.0	-73.53	433.75	2.90	-70.63
C[N@@H+]1CCCC[C@@H]1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024677110	0	55	0.0	-69.52	425.83	3.17	-66.35
C[N@H+]1CCCC[C@@H]1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024677110	1	55	0.0	-66.76	432.39	3.47	-63.29
C=CCC(C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024677129	0	55	0.0	-70.22	438.76	3.71	-66.51
NC(=[NH2+])SCC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024677152	0	46	0.0	-71.46	404.53	-1.13	-72.59
CCC1C[NH+](CC(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024677207	1	55	0.0	-68.67	445.87	3.86	-64.81
C[N@@H+]1CCC[C@H]1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024677211	0	52	0.0	-66.08	419.94	2.89	-63.19
C[N@H+]1CCC[C@H]1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024677211	1	52	0.0	-70.33	414.88	2.71	-67.62
O=C(C[NH+]1CCCCC1)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024677218	0	55	0.0	-67.77	436.59	4.03	-63.74
CC1C(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024677222	0	55	0.0	-68.32	437.05	3.20	-65.12
CC1C(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024677222	1	55	0.0	-69.98	439.68	3.41	-66.57
CN(C(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677429	0	52	0.0	-68.44	403.99	3.55	-64.89
CN(C(=O)C1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677429	1	52	0.0	-69.84	400.43	3.22	-66.62
CN(C(=O)C1C[N@H+](C)CCO1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677453	1	53	0.0	-85.66	414.42	2.89	-82.77
CN(C(=O)C1C[N@@H+](C)CCO1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677453	1	53	0.0	-81.02	415.27	2.98	-78.04
CC1=[NH+]C=CN1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677592	1	50	0.0	-67.79	410.75	4.28	-63.51
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024677610	0	55	0.0	-72.87	417.61	3.98	-68.89
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024677610	1	55	0.0	-73.63	422.30	3.89	-69.74
CN(C(=O)C1([NH+](C)C)CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677630	0	55	0.0	-72.47	413.64	3.97	-68.50
CC(C)[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024677632	0	57	0.0	-69.84	425.83	4.36	-65.48
CN(C(=O)C[N@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677641	0	55	0.0	-69.42	427.54	4.65	-64.77
CN(C(=O)C[N@@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677641	1	55	0.0	-69.19	427.43	4.64	-64.55
CN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677665	0	55	0.0	-79.70	423.53	4.12	-75.58
CN(C(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677671	0	55	0.0	-67.78	421.70	4.25	-63.53
CN(C(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677671	1	55	0.0	-69.02	409.76	3.78	-65.24
CC1=C[NH+]=CN1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677688	1	50	0.0	-70.60	410.02	4.98	-65.62
CN(C(=O)CC1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677698	0	55	0.0	-74.03	427.77	4.31	-69.72
CN(C(=O)CC1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677698	1	55	0.0	-74.12	427.88	4.31	-69.81
CCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024677701	0	54	0.0	-68.27	407.85	3.53	-64.74
CN(C(=O)CCCC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677715	0	57	0.0	-73.80	446.70	4.84	-68.96
CC(C)C(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024677718	0	57	0.0	-69.55	425.68	4.60	-64.95
CCC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677719	0	57	0.0	-73.65	442.91	4.68	-68.97
CCC[N@@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677719	1	57	0.0	-73.66	442.87	4.67	-68.99
CCC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677720	0	54	0.0	-71.34	420.56	4.09	-67.25
CCC[N@@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677720	1	54	0.0	-71.29	420.53	4.09	-67.20
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677735	0	52	0.0	-72.35	405.68	3.50	-68.85
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677735	1	52	0.0	-69.66	400.31	3.24	-66.42
CC[NH+](CC)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677747	0	54	0.0	-69.44	417.16	4.03	-65.41
CN(C(=O)C1(C[NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677801	0	55	0.0	-72.09	429.30	4.26	-67.83
CN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677823	0	55	0.0	-79.70	423.53	4.12	-75.58
CC(C)[C@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024677838	0	57	0.0	-69.88	425.36	4.40	-65.48
CC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677865	0	54	0.0	-72.86	421.37	3.91	-68.95
CC[N@@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677865	1	54	0.0	-72.91	421.41	3.93	-68.98
CC1CCC[N@@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677875	0	55	0.0	-68.01	427.37	4.34	-63.67
CC1CCC[N@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677875	1	55	0.0	-67.72	419.99	4.06	-63.66
CC1CC[N@H+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024677876	0	55	0.0	-70.01	427.49	4.32	-65.69
CC1CC[N@@H+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024677876	1	55	0.0	-70.45	427.34	4.40	-66.05
CC[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024677878	0	54	0.0	-69.62	412.19	3.79	-65.83
CN(C(=O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677914	0	48	0.0	-71.77	381.34	2.66	-69.11
CN(C(=O)C[N+]1=CN(C)C=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677915	0	50	0.0	-68.90	412.56	6.18	-62.72
CN(C(=O)C1CCC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677918	0	55	0.0	-65.90	414.78	4.22	-61.68
CN(C(=O)C1CCC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677918	1	55	0.0	-68.48	415.12	4.26	-64.22
CC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024677925	1	52	0.0	-72.68	407.97	3.49	-69.19
CN(C(=O)C(C)(C)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677928	0	57	0.0	-69.21	417.67	3.57	-65.64
CN(C(=O)C[N@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677935	0	52	0.0	-68.89	410.71	4.09	-64.80
CN(C(=O)C[N@@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677935	1	52	0.0	-68.88	410.72	4.09	-64.79
CN(C(=O)CC1C[NH+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677946	0	52	0.0	-72.32	412.78	3.51	-68.81
C[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024677958	0	51	0.0	-69.42	396.33	2.99	-66.43
CN(C(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024677965	0	42	0.0	-23.04	358.31	-1.73	-24.77
C[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024677996	0	51	0.0	-69.42	396.33	2.99	-66.43
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677999	0	55	0.0	-67.69	421.71	4.27	-63.42
CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677999	1	55	0.0	-69.11	409.70	3.76	-65.35
CN(C(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678026	1	49	0.0	-71.39	391.37	3.08	-68.31
CN(C(=O)C=C1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678035	0	53	0.0	-74.90	419.33	4.24	-70.66
CN(C(=O)C=C1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678035	1	53	0.0	-75.00	419.34	4.24	-70.76
C[C@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024678053	0	51	0.0	-69.48	397.76	3.02	-66.46
CC1C[NH+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024678069	1	52	0.0	-71.64	411.35	3.81	-67.83
CN(C(=O)C[N@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678082	1	52	0.0	-71.86	409.39	0.11	-71.75
CN(C(=O)C[N@@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678082	1	52	0.0	-71.61	409.19	0.09	-71.52
CC(CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024678094	0	57	0.0	-73.30	438.36	4.72	-68.58
CC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678096	0	51	0.0	-71.00	399.06	3.34	-67.66
CC[N@@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678096	1	51	0.0	-70.98	399.04	3.34	-67.64
CC[N@H+](CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024678106	0	55	0.0	-67.62	429.91	4.72	-62.90
CC[N@@H+](CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024678106	1	55	0.0	-67.76	430.16	4.73	-63.03
CC[NH+](CC)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678112	0	57	0.0	-72.25	434.94	4.35	-67.90
CN(C(=O)C[NH+]1CC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678120	1	55	0.0	-71.37	431.95	4.28	-67.09
CN(C(=O)C=CC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678127	0	52	0.0	-75.64	417.74	3.94	-71.70
CC(CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024678144	0	57	0.0	-71.46	438.69	4.46	-67.00
CC[N@@H+]1CCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678148	1	52	0.0	-70.47	411.36	3.54	-66.93
CC[N@H+]1CCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678148	1	52	0.0	-70.30	412.45	3.64	-66.66
C=CCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024678169	0	55	0.0	-67.47	422.53	4.05	-63.42
CN(C(=O)C[NH+]1CC2CC2C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678177	0	53	0.0	-71.21	416.66	4.54	-66.67
CCCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024678182	0	57	0.0	-69.33	430.81	4.39	-64.94
CN(C(=O)C(C)(C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678184	0	54	0.0	-72.03	399.72	3.54	-68.49
CN(C(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678194	0	55	0.0	-67.78	421.70	4.25	-63.53
CN(C(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678194	1	55	0.0	-69.02	409.76	3.78	-65.24
CN(C(=O)C1([NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678230	0	52	0.0	-72.08	401.43	2.96	-69.12
CN(C(=O)CC[NH+]1CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678231	0	55	0.0	-72.30	429.60	4.42	-67.88
CN(C(=O)C12CC(C1)C[N@@H+]2C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678241	0	53	0.0	-71.96	406.52	3.97	-67.99
CN(C(=O)C12CC(C1)C[N@H+]2C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678241	1	53	0.0	-74.22	407.77	3.81	-70.41
CC(C[NH+](C)C)C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678276	0	54	0.0	-67.34	414.57	3.79	-63.55
CC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024678296	0	55	0.0	-72.48	428.68	4.12	-68.36
CC1CC[N@@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678297	1	52	0.0	-69.01	407.04	3.48	-65.53
CC1CC[N@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678297	1	52	0.0	-69.06	407.05	3.46	-65.60
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678328	0	55	0.0	-72.18	430.44	4.43	-67.75
CC(CC[NH+](C)C)C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678329	0	57	0.0	-72.84	436.46	4.28	-68.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300024678498	0	52	0.0	-69.93	403.08	3.48	-66.45
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300024678498	1	52	0.0	-72.15	399.67	3.20	-68.95
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@H+](C)CCO2)CC1	REAL300024678524	1	53	0.0	-74.26	407.35	2.73	-71.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@@H+](C)CCO2)CC1	REAL300024678524	1	53	0.0	-82.46	414.15	2.89	-79.57
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@H+](C)C2)CC1	REAL300024678674	0	55	0.0	-75.17	427.99	4.32	-70.85
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@@H+](C)C2)CC1	REAL300024678674	1	55	0.0	-75.52	428.12	4.26	-71.26
CCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024678677	0	54	0.0	-69.67	405.95	3.44	-66.23
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCCC[NH+](C)C)CC1	REAL300024678687	0	57	0.0	-75.61	446.68	4.83	-70.78
CC(C)C(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024678690	0	57	0.0	-72.37	424.19	4.17	-68.20
CCC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678691	0	57	0.0	-76.28	442.91	4.65	-71.63
CCC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678691	1	57	0.0	-76.36	442.90	4.65	-71.71
CCC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678692	0	54	0.0	-73.58	420.50	4.05	-69.53
CCC[N@@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678692	1	54	0.0	-73.60	420.50	4.04	-69.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1	REAL300024678731	0	55	0.0	-72.18	428.26	4.14	-68.04
CC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678737	0	54	0.0	-75.48	421.41	3.91	-71.57
CC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678737	1	54	0.0	-75.22	421.37	3.91	-71.31
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300024678759	0	55	0.0	-77.66	425.41	4.22	-73.44
CC(C)[C@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024678774	0	57	0.0	-72.14	424.51	4.19	-67.95
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1	REAL300024678796	0	55	0.0	-74.61	405.62	3.53	-71.08
CC1CCC[N@@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678820	0	55	0.0	-70.08	420.04	4.03	-66.05
CC1CCC[N@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678820	1	55	0.0	-69.98	420.01	4.02	-65.96
CC(C)[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024678831	0	57	0.0	-70.85	420.43	4.15	-66.70
CC1CC[N@H+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024678839	0	55	0.0	-73.04	427.36	4.37	-68.67
CC1CC[N@@H+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024678839	1	55	0.0	-72.73	427.49	4.39	-68.34
CC[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024678841	0	54	0.0	-71.19	411.78	3.70	-67.49
CC1=[NH+]C=CN1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678878	1	50	0.0	-69.61	409.66	4.21	-65.40
CC1=C[NH+]=CN1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678896	1	50	0.0	-72.28	411.07	4.99	-67.29
C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024678897	0	55	0.0	-74.61	416.62	4.18	-70.43
C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024678897	1	55	0.0	-76.46	423.33	3.85	-72.61
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1	REAL300024678927	0	55	0.0	-71.40	427.55	4.63	-66.77
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1	REAL300024678927	1	55	0.0	-71.18	427.40	4.63	-66.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300024678933	0	55	0.0	-77.66	425.41	4.22	-73.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	REAL300024678946	0	52	0.0	-70.00	402.79	3.42	-66.58
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	REAL300024678946	1	52	0.0	-72.23	399.74	3.19	-69.04
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)CC1	REAL300024678989	0	55	0.0	-71.08	410.64	3.68	-67.40
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)CC1	REAL300024678989	1	55	0.0	-69.33	421.61	4.23	-65.10
CC1C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024679018	0	55	0.0	-72.03	421.70	3.80	-68.23
CC1C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024679018	1	55	0.0	-73.10	418.56	3.71	-69.39
C[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024679059	0	51	0.0	-71.15	398.03	3.05	-68.10
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300024679077	0	55	0.0	-75.04	429.64	4.41	-70.63
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CCO)CC1	REAL300024679082	1	52	0.0	-74.18	409.35	0.07	-74.11
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CCO)CC1	REAL300024679082	1	52	0.0	-73.79	409.19	0.09	-73.70
CC1C[NH+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024679125	1	52	0.0	-73.46	412.61	3.73	-69.73
CC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679157	0	51	0.0	-73.14	399.00	3.30	-69.84
CC[N@@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679157	1	51	0.0	-73.21	399.00	3.31	-69.90
CC(CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024679210	0	57	0.0	-76.43	434.61	4.42	-72.01
CC[N@H+](CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024679215	0	55	0.0	-69.53	429.87	4.66	-64.87
CC[N@@H+](CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024679215	1	55	0.0	-71.99	422.66	4.55	-67.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@@H+]3C)CC1	REAL300024679228	0	53	0.0	-72.96	408.20	3.55	-69.41
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@H+]3C)CC1	REAL300024679228	1	53	0.0	-72.26	408.19	3.73	-68.53
CC(C[NH+](C)C)C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679237	0	54	0.0	-74.98	417.75	3.71	-71.27
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CC2)CC1	REAL300024679243	0	52	0.0	-74.60	400.33	3.09	-71.51
C[C@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024679253	0	51	0.0	-71.16	397.25	3.00	-68.16
CC[N@@H+]1CCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679256	0	52	0.0	-70.25	404.42	3.27	-66.98
CC[N@H+]1CCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679256	1	52	0.0	-72.42	411.88	3.59	-68.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=C[NH+]=CC=C2N)CC1	REAL300024679267	0	48	0.0	-72.28	393.19	0.62	-71.66
CCCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024679271	0	57	0.0	-70.36	430.89	4.33	-66.03
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)[NH+](C)C)CC1	REAL300024679274	0	54	0.0	-71.98	402.27	3.35	-68.63
CC(CC[NH+](C)C)C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679283	0	57	0.0	-74.89	440.16	4.35	-70.54
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300024679342	0	53	0.0	-73.37	416.78	4.54	-68.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)CC1	REAL300024679350	0	55	0.0	-71.08	410.64	3.68	-67.40
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)CC1	REAL300024679350	1	55	0.0	-69.33	421.61	4.23	-65.10
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@H+](C)C2)CC1	REAL300024679375	0	53	0.0	-76.99	418.21	4.24	-72.75
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@@H+](C)C2)CC1	REAL300024679375	1	53	0.0	-76.73	419.12	4.19	-72.54
CN(C(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])CC1	REAL300024679382	0	42	0.0	-23.51	358.29	-1.76	-25.27
CCC1C[NH+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024679398	0	55	0.0	-74.65	433.76	4.45	-70.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300024679403	0	52	0.0	-70.89	399.88	3.17	-67.72
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300024679403	1	52	0.0	-70.16	406.28	3.54	-66.62
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1	REAL300024679443	0	55	0.0	-73.55	430.42	4.40	-69.15
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300024679484	0	55	0.0	-72.93	423.06	4.51	-68.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+](C)C2)CC1	REAL300024679485	0	55	0.0	-72.32	417.47	4.33	-67.99
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+](C)C2)CC1	REAL300024679485	1	55	0.0	-72.07	417.42	4.33	-67.74
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N+]2=CN(C)C=C2)CC1	REAL300024679486	0	50	0.0	-70.82	412.54	6.16	-64.66
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CC2)CC1	REAL300024679496	0	52	0.0	-71.17	410.74	4.05	-67.12
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CC2)CC1	REAL300024679496	1	52	0.0	-70.31	410.54	4.04	-66.27
CC(CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024679504	0	57	0.0	-75.02	438.60	4.72	-70.30
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2C[NH+](C)C2)CC1	REAL300024679553	0	52	0.0	-75.04	412.56	3.50	-71.54
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)CC1	REAL300024679560	0	48	0.0	-74.00	381.31	2.65	-71.35
C[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024679568	0	51	0.0	-71.15	398.03	3.05	-68.10
CC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024679582	0	55	0.0	-71.01	429.98	4.15	-66.86
CC1CC[N@@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679583	0	52	0.0	-72.35	412.63	3.73	-68.62
CC1CC[N@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679583	1	52	0.0	-72.07	412.63	3.73	-68.34
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+](C)C)CC1	REAL300024679585	0	52	0.0	-77.60	417.48	3.90	-73.70
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1	REAL300024679589	1	55	0.0	-73.95	431.93	4.27	-69.68
CC[NH+](CC)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679602	0	54	0.0	-71.61	417.30	4.00	-67.61
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024679607	1	49	0.0	-74.03	391.44	3.06	-70.97
CC[NH+](CC)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679625	0	57	0.0	-74.55	434.91	4.35	-70.20
CC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024679653	0	52	0.0	-71.29	409.03	3.54	-67.75
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)C[NH+](C)C)CC1	REAL300024679657	0	57	0.0	-69.15	418.06	3.71	-65.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1	REAL300024679677	0	55	0.0	-69.68	420.62	4.16	-65.52
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	REAL300024679677	1	55	0.0	-71.07	410.67	3.68	-67.39
C=CCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024679696	0	55	0.0	-71.02	424.73	4.19	-66.83
CN(C(=O)CSC(N)=[NH2+])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679719	0	46	0.0	-73.09	389.26	-0.32	-73.41
CCC1C[NH+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024679774	0	55	0.0	-72.14	433.97	4.52	-67.62
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679778	0	52	0.0	-70.14	400.56	3.22	-66.92
CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679778	1	52	0.0	-72.32	406.60	3.54	-68.78
CN(C(=O)C[NH+]1CCCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679785	0	55	0.0	-70.72	423.14	4.57	-66.15
CC1C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024679789	0	55	0.0	-72.92	417.65	3.98	-68.94
CC1C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024679789	1	55	0.0	-69.90	427.54	4.12	-65.78
C[N@@H+]1CCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024679995	0	49	0.0	-73.91	387.55	1.47	-72.44
C[N@H+]1CCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024679995	1	49	0.0	-74.06	387.55	1.48	-72.58
C[N@@H+]1CCOC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024680019	1	50	0.0	-80.31	397.82	1.21	-79.10
C[N@H+]1CCOC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024680019	1	50	0.0	-76.57	397.86	1.20	-75.37
CC(C)[N@@H+]1CCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680163	0	55	0.0	-71.52	415.14	2.89	-68.63
CC(C)[N@H+]1CCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680163	1	55	0.0	-68.39	425.89	2.95	-65.44
CC1=[NH+]C=CN1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680186	1	47	0.0	-69.70	396.98	2.54	-67.16
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024680206	0	53	0.0	-82.82	408.79	2.71	-80.11
C[C@@H]1[C@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024680234	0	52	0.0	-78.48	404.18	1.90	-76.58
C[C@@H]1[C@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024680234	1	52	0.0	-76.02	409.63	2.41	-73.61
CC[C@@H]1[C@@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024680236	0	55	0.0	-75.47	424.51	2.61	-72.86
CC[C@@H]1[C@@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024680236	1	55	0.0	-75.04	429.76	2.94	-72.10
CC[N@@H+]1CCOC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024680241	1	53	0.0	-85.76	422.77	2.03	-83.73
CC[N@H+]1CCOC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024680241	1	53	0.0	-76.11	415.65	1.84	-74.27
CC1CCC(C)[NH+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680286	0	55	0.0	-70.35	424.72	2.93	-67.42
O=C(CCC[NH+]1CCCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680288	0	55	0.0	-75.28	437.37	3.45	-71.83
O=C(CC[NH+]1CCCCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680291	0	55	0.0	-75.21	431.09	3.31	-71.90
CC[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680294	0	55	0.0	-69.56	417.88	2.99	-66.57
CC[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680294	1	55	0.0	-70.28	417.91	3.00	-67.28
C[NH+](C)C1(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024680304	0	52	0.0	-79.71	404.96	2.25	-77.46
CC(C)[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024680310	0	54	0.0	-70.61	413.13	2.45	-68.16
C[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024680328	0	52	0.0	-71.25	413.64	2.90	-68.35
C[N@@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024680328	1	52	0.0	-71.59	413.78	2.92	-68.67
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680382	1	51	0.0	-72.32	414.23	2.71	-69.61
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680382	1	51	0.0	-71.23	420.04	3.19	-68.04
C[N@@H+]1CCCC1CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680387	0	55	0.0	-79.16	435.02	3.40	-75.76
C[N@H+]1CCCC1CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680387	1	55	0.0	-73.41	429.50	2.94	-70.47
C[NH+]1CCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024680403	0	52	0.0	-79.65	412.14	2.59	-77.06
C[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680430	0	52	0.0	-71.41	400.17	2.34	-69.07
C[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680430	1	52	0.0	-71.47	400.22	2.35	-69.12
O=C(CC[NH+]1CCOCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680483	1	53	0.0	-78.30	422.81	0.92	-77.38
CC1=C[NH+]=CN1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680495	1	47	0.0	-72.51	396.25	3.23	-69.28
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024680511	0	53	0.0	-77.79	412.12	2.91	-74.88
C[N@@H+]1CCC(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024680516	0	52	0.0	-77.46	414.08	2.52	-74.94
C[N@H+]1CCC(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024680516	1	52	0.0	-76.08	413.72	2.54	-73.54
CCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024680522	0	51	0.0	-71.84	401.33	2.53	-69.31
C[NH+](C)CCCCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680569	0	54	0.0	-77.87	432.91	3.05	-74.82
CC(C)C(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024680580	0	54	0.0	-70.87	411.18	2.35	-68.52
CCC[N@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680581	0	54	0.0	-76.66	429.18	2.86	-73.80
CCC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680581	1	54	0.0	-76.62	429.14	2.88	-73.74
CCC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680584	0	51	0.0	-73.50	406.77	2.34	-71.16
CCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680584	1	51	0.0	-73.37	406.78	2.34	-71.03
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024680597	0	53	0.0	-84.69	408.39	2.23	-82.46
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024680597	1	53	0.0	-75.97	409.26	2.15	-73.82
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680619	0	49	0.0	-71.96	387.57	1.46	-70.50
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680619	1	49	0.0	-70.10	393.30	1.97	-68.13
CC[NH+](CC)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680646	0	51	0.0	-71.70	399.13	2.00	-69.70
CC1CC[NH+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024680699	0	55	0.0	-74.19	430.11	3.41	-70.78
C[NH+](C)CC1(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024680717	0	52	0.0	-79.37	419.45	2.70	-76.67
C[NH+]1CCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024680763	0	52	0.0	-79.65	412.14	2.59	-77.06
CC(C)[C@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024680778	0	54	0.0	-72.41	411.12	2.34	-70.07
CCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024680805	0	57	0.0	-66.66	433.71	3.22	-63.44
CC[N@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680835	0	51	0.0	-75.87	407.68	2.12	-73.75
CC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680835	1	51	0.0	-75.82	407.64	2.13	-73.69
CC1CCC[N@@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680858	0	52	0.0	-71.10	412.89	2.71	-68.39
CC1CCC[N@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680858	1	52	0.0	-70.02	406.25	2.30	-67.72
CC1CC[N@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024680859	0	52	0.0	-73.01	412.97	2.66	-70.35
CC1CC[N@@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024680859	1	52	0.0	-72.49	412.87	2.60	-69.89
CC1(C)CC[N@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024680861	0	55	0.0	-73.07	432.81	3.16	-69.91
CC1(C)CC[N@@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024680861	1	55	0.0	-73.16	432.99	3.16	-70.00
C[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024680862	0	57	0.0	-73.50	435.39	3.33	-70.17
C[N@@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024680862	1	57	0.0	-73.18	437.17	3.41	-69.77
CC[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024680869	0	51	0.0	-69.52	398.17	1.91	-67.61
C[NH+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680941	0	45	0.0	-73.76	367.52	0.90	-72.86
O=C(C[NH+]1CCCCCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680944	0	55	0.0	-72.45	418.54	2.96	-69.49
CN1C=C[N+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024680947	0	47	0.0	-70.93	398.78	4.43	-66.50
C[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024680951	0	52	0.0	-65.37	405.91	2.75	-62.62
C[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024680951	1	52	0.0	-74.77	412.10	2.51	-72.26
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024680956	0	53	0.0	-77.70	412.47	3.50	-74.20
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024680956	1	53	0.0	-73.23	418.10	2.80	-70.43
CC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024680968	1	49	0.0	-71.18	395.71	1.99	-69.19
CCC(CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024680972	0	57	0.0	-81.77	443.25	3.53	-78.24
C[NH+](C)CC(C)(C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680977	0	54	0.0	-74.82	414.71	2.58	-72.24
O=C(C[NH+]1CCC(O)CC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680988	1	53	0.0	-78.94	420.74	-0.55	-79.49
C[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024680989	0	49	0.0	-70.24	396.84	2.32	-67.92
C[N@@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024680989	1	49	0.0	-71.17	396.98	2.32	-68.85
C[NH+]1CC(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024681003	0	49	0.0	-74.51	398.96	1.72	-72.79
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681013	0	55	0.0	-72.46	408.72	2.41	-70.05
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681013	1	55	0.0	-70.34	429.06	2.64	-67.70
C[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024681023	0	48	0.0	-71.63	385.62	1.31	-70.32
[N-]=[N+]=NCC(=O)NC1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024681030	0	39	0.0	-26.76	344.48	-3.49	-30.25
[NH2+]=C1SC=CN1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681072	0	45	0.0	-69.39	394.62	1.10	-68.29
C[N@H+](CCO)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681077	0	52	0.0	-75.34	418.03	-1.09	-76.43
C[N@@H+](CCO)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681077	1	52	0.0	-74.87	417.95	-1.10	-75.97
C[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024681078	0	48	0.0	-71.63	385.62	1.31	-70.32
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681081	0	52	0.0	-70.53	400.19	2.35	-68.18
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681081	1	52	0.0	-69.44	409.54	2.52	-66.92
O=C(C[NH+]1CCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681126	1	46	0.0	-73.96	377.81	1.38	-72.58
C[N@@H+]1CCC(=CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024681140	0	50	0.0	-77.61	406.42	2.46	-75.15
C[N@H+]1CCC(=CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024681140	1	50	0.0	-77.66	406.36	2.45	-75.21
C[NH+](C)CCOCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681160	0	52	0.0	-74.73	423.38	1.97	-72.76
C=CCC(C)(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024681171	0	55	0.0	-77.47	419.27	2.72	-74.75
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681188	0	53	0.0	-82.45	415.12	-1.01	-83.46
CC1CN(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024681205	0	49	0.0	-74.34	397.41	2.03	-72.31
CC1C[NH+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024681205	1	49	0.0	-74.34	397.41	2.03	-72.31
CN(CCO)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681222	0	49	0.0	-74.61	395.63	-1.65	-76.26
C[N@H+](CCO)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681222	1	49	0.0	-74.44	395.41	-1.66	-76.10
C[N@@H+](CCO)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681222	1	49	0.0	-74.44	395.41	-1.66	-76.10
CC[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024681241	0	55	0.0	-65.53	423.54	3.41	-62.12
CC[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024681241	1	55	0.0	-65.53	423.54	3.41	-62.12
CC(CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024681243	0	54	0.0	-80.94	424.65	2.88	-78.06
CC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681246	0	48	0.0	-73.17	385.27	1.58	-71.59
CC[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024681270	0	52	0.0	-70.82	413.61	2.94	-67.88
CC[NH+](CC)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681278	0	54	0.0	-75.49	421.14	2.55	-72.94
CC1(O)CC[N@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024681308	0	53	0.0	-72.27	423.52	-0.67	-72.94
C[NH+](C)CC=CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681311	0	49	0.0	-79.66	404.80	2.18	-77.48
COCCN(C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681324	0	52	0.0	-74.24	417.66	0.74	-73.50
COCC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681324	1	52	0.0	-74.96	417.88	0.76	-74.20
COCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681324	1	52	0.0	-74.96	417.88	0.76	-74.20
C[NH+](C)C1(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024681341	0	55	0.0	-80.97	419.07	3.19	-77.78
CC(CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024681343	0	54	0.0	-79.64	420.89	2.65	-76.99
CCN1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681349	0	49	0.0	-71.18	392.09	1.56	-69.62
CC[N@@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681349	1	49	0.0	-73.45	399.21	1.89	-71.56
CC[N@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681349	1	49	0.0	-73.45	399.21	1.89	-71.56
O=C(C[N@H+]1CCCC1CO)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681359	0	53	0.0	-73.37	420.57	-0.54	-73.91
C[NH+]1CCC(C)(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024681375	0	55	0.0	-74.37	424.81	2.99	-71.38
C=CCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024681391	0	52	0.0	-72.27	414.20	2.59	-69.68
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681398	0	55	0.0	-71.32	427.88	2.53	-68.79
C[NH+](C)CCCCCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681400	0	57	0.0	-77.25	454.41	3.84	-73.41
CCCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024681417	0	54	0.0	-71.35	422.76	3.28	-68.07
C[NH+](C)C(C)(C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681420	0	51	0.0	-80.02	395.29	2.01	-78.01
C[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681443	0	52	0.0	-71.47	400.22	2.35	-69.12
C[N@H+]1CC=C(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024681462	0	53	0.0	-69.84	426.69	3.23	-66.61
C[N@@H+]1CC=C(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024681462	1	53	0.0	-69.84	426.69	3.23	-66.61
O=C(C=CC[NH+]1CCCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681492	0	53	0.0	-78.01	429.85	3.35	-74.66
O=C(CC[NH+]1CCCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681519	0	52	0.0	-75.39	415.91	2.64	-72.75
C[N@@H+]1CC2CC1(C(=O)NC1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024681544	0	50	0.0	-79.65	397.69	2.27	-77.38
O=C(C[N@@H+]1CC2CCC1C2)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681549	0	53	0.0	-71.83	414.40	3.04	-68.79
O=C(C[N@H+]1CC2CCC1C2)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681549	1	53	0.0	-71.83	414.40	3.04	-68.79
O=C(CN1CC2C=CC1C2)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681584	0	51	0.0	-69.22	407.14	2.81	-66.41
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681584	1	51	0.0	-72.01	406.62	2.88	-69.13
O=C(C[N@H+]1CC2C=CC1C2)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681584	1	51	0.0	-72.01	406.62	2.88	-69.13
CC(C[NH+](C)C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681614	0	51	0.0	-75.49	405.92	2.18	-73.31
C[N@@H+]1CCCCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681653	0	55	0.0	-66.93	419.29	2.98	-63.95
C[N@H+]1CCCCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681653	1	55	0.0	-66.93	419.29	2.98	-63.95
CC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300024681662	0	52	0.0	-71.41	415.04	2.63	-68.78
CC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024681662	1	52	0.0	-71.41	415.04	2.63	-68.78
CC1CCN1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681664	0	49	0.0	-71.32	393.30	1.73	-69.59
CC1CC[N@@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681664	1	49	0.0	-72.81	398.93	2.00	-70.81
CC1CC[N@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681664	1	49	0.0	-72.81	398.93	2.00	-70.81
C[NH+](C)CC(O)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681666	0	52	0.0	-80.25	420.25	-0.10	-80.35
CC1CN(C)CC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024681683	0	53	0.0	-89.73	426.10	2.11	-87.62
CC1C[N@H+](C)CC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024681683	1	53	0.0	-77.14	418.99	1.95	-75.19
CC1C[N@@H+](C)CC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024681683	1	53	0.0	-77.14	418.99	1.95	-75.19
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024681721	0	52	0.0	-76.24	417.09	2.65	-73.59
CC(CC[NH+](C)C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681725	0	54	0.0	-75.80	427.62	2.80	-73.00
CN1CCN(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024681740	0	54	0.0	-73.43	426.53	0.40	-73.03
C[NH+]1CCN(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024681740	1	54	0.0	-73.43	426.53	0.40	-73.03
C[N@@H+]1CCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681910	0	49	0.0	-70.52	390.19	1.65	-68.87
CN1CCOC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024681936	0	50	0.0	-87.38	400.38	1.06	-86.32
C[N@@H+]1CCOC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024681936	1	50	0.0	-80.44	393.49	0.89	-79.55
C[N@H+]1CCOC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024681936	1	50	0.0	-80.44	393.49	0.89	-79.55
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CCN2CCOCC2)C1	REAL300024682084	0	53	0.0	-78.76	422.81	0.88	-77.88
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024682084	1	53	0.0	-78.76	422.81	0.88	-77.88
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024682092	0	53	0.0	-69.18	405.21	2.14	-67.04
C[N@@H+]1CCC(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024682115	0	52	0.0	-77.30	413.86	2.46	-74.84
C[N@H+]1CCC(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024682115	1	52	0.0	-77.30	413.86	2.46	-74.84
CCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024682121	0	51	0.0	-71.54	397.70	1.82	-69.72
C[NH+](C)CCCCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682153	0	54	0.0	-76.95	432.91	3.00	-73.95
CC(C)C(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024682166	0	54	0.0	-71.08	410.02	2.46	-68.62
CCC[N@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682167	0	54	0.0	-76.78	429.14	2.83	-73.95
CCC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682167	1	54	0.0	-76.90	429.13	2.83	-74.07
CCC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682170	0	51	0.0	-74.05	406.81	2.24	-71.81
CCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682170	1	51	0.0	-74.12	406.78	2.23	-71.89
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024682183	0	53	0.0	-84.26	398.98	1.55	-82.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024682183	1	53	0.0	-76.19	400.33	1.65	-74.54
CC1CC[NH+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024682208	0	55	0.0	-74.52	430.16	3.30	-71.22
C[NH+](C)CC1(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024682245	0	52	0.0	-71.25	415.96	2.42	-68.83
CC[N@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682262	0	51	0.0	-76.00	407.64	2.09	-73.91
CC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682262	1	51	0.0	-76.11	407.63	2.09	-74.02
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024682274	0	53	0.0	-78.02	403.53	2.30	-75.72
C[NH+]1CCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024682312	0	52	0.0	-78.49	411.90	2.39	-76.10
CC(C)[C@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024682327	0	54	0.0	-73.63	407.67	2.46	-71.17
C[NH+](C)C1(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024682390	0	52	0.0	-73.78	392.29	1.78	-72.00
CCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024682417	0	57	0.0	-72.22	428.67	3.03	-69.19
CC1CCC[N@@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682426	0	52	0.0	-70.47	406.27	2.19	-68.28
CC1CCC[N@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682426	1	52	0.0	-71.45	412.90	2.61	-68.84
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682453	0	55	0.0	-69.00	414.48	3.00	-66.00
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682453	1	55	0.0	-69.29	422.24	2.71	-66.58
CC(C)[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024682460	0	54	0.0	-71.07	410.03	2.46	-68.61
CC1CC[N@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024682470	0	52	0.0	-73.19	412.91	2.50	-70.69
CC1CC[N@@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024682470	1	52	0.0	-73.35	413.58	2.54	-70.81
CC1(C)CC[N@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024682472	0	55	0.0	-73.58	433.09	3.06	-70.52
CC1(C)CC[N@@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024682472	1	55	0.0	-73.47	433.12	3.07	-70.40
C[N@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024682473	0	57	0.0	-74.20	435.38	3.21	-70.99
C[N@@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024682473	1	57	0.0	-73.72	437.33	3.37	-70.35
CC[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024682480	0	51	0.0	-71.79	398.90	1.95	-69.84
CC1=[NH+]C=CN1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682560	1	47	0.0	-71.20	396.95	2.42	-68.78
CC[N@@H+]1CCOC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024682603	1	53	0.0	-72.06	411.41	1.54	-70.52
CC[N@H+]1CCOC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024682603	1	53	0.0	-72.01	411.48	1.56	-70.45
CC1=C[NH+]=CN1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682623	1	47	0.0	-74.14	397.31	3.16	-70.98
C[C@@H]1[C@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024682628	0	52	0.0	-77.72	402.62	1.75	-75.97
C[C@@H]1[C@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024682628	1	52	0.0	-75.92	407.76	2.34	-73.58
CC[C@@H]1[C@@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024682630	0	55	0.0	-77.14	420.23	2.37	-74.77
CC[C@@H]1[C@@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024682630	1	55	0.0	-76.45	425.97	2.69	-73.76
CC1CCC(C)[NH+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682635	0	55	0.0	-70.16	424.63	2.83	-67.33
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024682637	0	55	0.0	-75.16	435.82	3.29	-71.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024682641	0	55	0.0	-75.41	431.58	3.30	-72.11
CC[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682644	0	55	0.0	-73.40	418.00	2.71	-70.69
CC[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682644	1	55	0.0	-73.36	417.95	2.69	-70.67
C[N@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024682724	0	52	0.0	-71.94	413.64	2.80	-69.14
C[N@@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024682724	1	52	0.0	-71.81	413.78	2.80	-69.01
C[NH+]1CCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024682748	0	52	0.0	-78.49	411.90	2.39	-76.10
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682770	0	49	0.0	-74.63	386.45	1.34	-73.29
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682770	1	49	0.0	-71.12	389.32	1.64	-69.48
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682787	1	51	0.0	-72.07	412.78	2.55	-69.52
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682787	1	51	0.0	-67.89	420.07	3.05	-64.84
C[N@@H+]1CCCC1CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682792	0	55	0.0	-77.25	434.89	3.35	-73.90
C[N@H+]1CCCC1CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682792	1	55	0.0	-73.42	429.48	2.88	-70.54
C[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682855	0	52	0.0	-70.37	396.90	1.86	-68.51
C[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682855	1	52	0.0	-70.62	408.02	2.41	-68.21
CC1C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024682904	0	52	0.0	-72.14	408.46	2.12	-70.02
CC1C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024682904	1	52	0.0	-72.28	404.97	1.88	-70.40
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682954	0	55	0.0	-70.09	428.36	2.49	-67.60
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682954	1	55	0.0	-69.42	411.28	1.89	-67.53
C[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024682967	0	48	0.0	-71.58	383.95	1.20	-70.38
C=CCC(C)(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024682979	0	55	0.0	-67.73	413.22	2.30	-65.43
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024682991	0	52	0.0	-75.53	415.87	2.60	-72.93
C[N@H+](CCO)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682999	1	49	0.0	-75.18	395.63	-1.74	-76.92
C[N@@H+](CCO)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024682999	1	49	0.0	-74.79	395.41	-1.76	-76.55
C[N@H+]1CC=C(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024683045	0	53	0.0	-73.62	426.67	3.18	-70.44
C[N@@H+]1CC=C(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024683045	1	53	0.0	-71.27	426.67	3.18	-68.09
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683063	0	53	0.0	-72.46	408.52	-1.78	-74.24
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683063	1	53	0.0	-69.74	406.29	-1.97	-71.71
CC1C[NH+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024683089	1	49	0.0	-74.20	398.84	1.90	-72.30
CC[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024683095	0	55	0.0	-68.74	421.28	3.15	-65.59
CC[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024683095	1	55	0.0	-72.99	421.42	3.17	-69.82
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024683106	0	53	0.0	-68.54	418.14	2.96	-65.58
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024683106	1	53	0.0	-68.23	417.43	2.95	-65.28
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024683127	0	53	0.0	-80.90	427.08	3.12	-77.78
CC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683164	0	48	0.0	-73.76	385.28	1.49	-72.27
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CN2CC3C=CC2C3)C1	REAL300024683193	0	51	0.0	-72.21	407.18	2.80	-69.41
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024683193	1	51	0.0	-72.27	406.86	2.78	-69.49
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024683193	1	51	0.0	-72.27	406.86	2.78	-69.49
COCCN(C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683268	0	52	0.0	-74.70	417.66	0.65	-74.05
COCC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683268	1	52	0.0	-75.45	417.89	0.66	-74.79
COCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683268	1	52	0.0	-75.45	417.89	0.66	-74.79
CC(CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024683271	0	54	0.0	-78.35	421.19	2.60	-75.75
CC[N@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024683284	0	52	0.0	-72.63	408.89	2.74	-69.89
C[N@@H+]1CC2CC1(C(=O)N1CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024683309	0	50	0.0	-72.46	394.81	1.89	-70.57
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024683316	0	53	0.0	-70.69	411.69	2.73	-67.96
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024683316	1	53	0.0	-70.69	411.69	2.73	-67.96
CC(C[NH+](C)C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683329	0	51	0.0	-77.79	406.72	2.00	-75.79
CCN1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683357	0	49	0.0	-73.58	398.67	1.74	-71.84
CC[N@@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683357	1	49	0.0	-71.67	390.70	1.46	-70.21
CC[N@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683357	1	49	0.0	-71.67	390.70	1.46	-70.21
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683363	0	57	0.0	-72.48	431.79	1.45	-71.03
CCCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024683393	0	54	0.0	-70.19	417.26	2.49	-67.70
C[NH+](C)C(C)(C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683397	0	51	0.0	-76.99	388.37	1.36	-75.63
CC(CC[NH+](C)C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683410	0	54	0.0	-77.93	428.38	2.63	-75.30
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683458	0	55	0.0	-73.15	425.91	2.47	-70.68
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683458	1	55	0.0	-73.15	425.91	2.47	-70.68
C[NH+](C)CCCCCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683460	0	57	0.0	-76.08	454.41	3.79	-72.29
CN1CCN(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024683467	0	54	0.0	-75.05	426.57	0.31	-74.74
C[NH+]1CCN(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024683467	1	54	0.0	-75.05	426.57	0.31	-74.74
CC1CN(C)CC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024683508	0	53	0.0	-81.08	414.72	1.63	-79.45
CC1C[N@H+](C)CC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024683508	1	53	0.0	-88.64	414.32	1.36	-87.28
CC1C[N@@H+](C)CC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024683508	1	53	0.0	-88.64	414.32	1.36	-87.28
C[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683552	0	52	0.0	-70.62	408.02	2.41	-68.21
C[N@@H+]1CCC(=CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024683610	0	50	0.0	-80.41	405.34	2.38	-78.03
C[N@H+]1CCC(=CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024683610	1	50	0.0	-80.41	405.34	2.38	-78.03
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024683612	0	48	0.0	-76.99	403.26	0.08	-76.91
C[NH+](C)C1(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024683662	0	55	0.0	-75.41	411.89	2.26	-73.15
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683678	0	49	0.0	-71.66	386.16	1.35	-70.31
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024683756	0	52	0.0	-76.61	416.68	2.57	-74.04
C[NH+](C)CCC1(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024683764	0	55	0.0	-80.63	438.95	3.15	-77.48
C[N@@H+]1CC=CCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683765	0	53	0.0	-78.52	418.64	2.93	-75.59
C[N@H+]1CC=CCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683765	1	53	0.0	-78.52	418.64	2.93	-75.59
C[NH+](C)CCOCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683793	0	52	0.0	-76.36	423.42	1.94	-74.42
[NH2+]=C1SC=CN1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683817	0	45	0.0	-70.72	394.61	0.99	-69.73
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024683872	0	52	0.0	-73.68	409.28	2.68	-71.00
C[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024683873	0	52	0.0	-69.97	401.60	2.22	-67.75
C[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024683873	1	52	0.0	-68.97	403.59	2.49	-66.48
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024683874	0	55	0.0	-72.98	418.54	2.86	-70.12
CN1C=C[N+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024683877	0	47	0.0	-72.42	398.81	4.32	-68.10
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024683896	1	53	0.0	-78.84	420.40	-0.66	-79.50
C[N@@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024683897	1	49	0.0	-71.43	396.94	2.23	-69.20
CCOCC(N=[N+]=[N-])C(=O)N1CCCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024683912	0	49	0.0	-25.02	417.89	-3.02	-28.04
CC(CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024683915	0	54	0.0	-76.61	424.74	2.89	-73.72
CN1CCOCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683932	0	53	0.0	-80.70	418.08	0.68	-80.02
C[N@@H+]1CCOCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683932	1	53	0.0	-71.78	410.67	0.54	-71.24
C[N@H+]1CCOCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024683932	1	53	0.0	-80.70	418.08	0.68	-80.02
CC1(O)CC[N@@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024683993	1	53	0.0	-74.80	423.94	-0.78	-75.58
C[NH+]1CC(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024684014	0	49	0.0	-74.72	398.84	1.69	-73.03
C[NH+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684023	0	45	0.0	-74.50	367.55	0.82	-73.68
C[N@H+](CCO)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684037	0	52	0.0	-76.10	417.99	-1.13	-77.23
C[N@@H+](CCO)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684037	1	52	0.0	-75.07	417.94	-1.12	-76.19
C[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024684038	0	48	0.0	-71.58	383.95	1.20	-70.38
C[N@@H+]1CCCCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684052	0	55	0.0	-77.51	426.65	3.04	-74.47
C[N@H+]1CCCCC1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684052	1	55	0.0	-65.57	419.31	2.92	-62.65
CC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024684062	0	52	0.0	-66.74	415.31	2.36	-64.38
CC1CCN1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684064	0	49	0.0	-72.54	398.84	1.89	-70.65
CC1CC[N@@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684064	1	49	0.0	-72.60	398.86	1.90	-70.70
CC1CC[N@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684064	1	49	0.0	-72.54	398.84	1.89	-70.65
C[NH+](C)CC=CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684070	0	49	0.0	-82.10	402.46	2.04	-80.06
CC1(C)C[NH+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024684075	1	52	0.0	-74.34	418.15	2.43	-71.91
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300024684109	1	53	0.0	-72.94	417.17	-1.11	-74.05
CC[NH+](CC)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684111	0	51	0.0	-72.50	403.58	2.18	-70.32
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024684120	1	46	0.0	-74.17	377.90	1.27	-72.90
CC[NH+](CC)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684148	0	54	0.0	-75.10	425.49	2.80	-72.30
CC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024684198	1	49	0.0	-71.55	386.38	1.36	-70.19
CCC(CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024684203	0	57	0.0	-79.52	442.38	3.51	-76.01
C[NH+](C)CC(C)(C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684208	0	54	0.0	-70.68	405.70	2.05	-68.63
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684237	0	52	0.0	-71.21	397.01	1.93	-69.28
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684237	1	52	0.0	-68.33	406.85	2.34	-65.99
C[NH+](C)CC(O)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684256	0	52	0.0	-79.48	420.16	-0.10	-79.58
C=CCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024684276	0	52	0.0	-68.76	408.98	2.20	-66.56
C[NH+]1CCC(C)(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024684287	0	55	0.0	-76.32	415.93	2.30	-74.02
NC(=[NH2+])SCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684308	0	43	0.0	-77.21	376.04	-2.23	-79.44
C[NH+](C)CCC1(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024684331	0	55	0.0	-81.07	442.81	3.46	-77.61
C[N@@H+]1CC=CCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684332	0	53	0.0	-77.98	418.76	2.97	-75.01
C[N@H+]1CC=CCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684332	1	53	0.0	-78.05	418.79	2.98	-75.07
CCC1CN(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024684413	0	52	0.0	-74.54	420.17	2.76	-71.78
CCC1C[NH+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024684413	1	52	0.0	-74.54	420.17	2.76	-71.78
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684418	0	49	0.0	-72.10	387.51	1.46	-70.64
CC1C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024684440	0	52	0.0	-75.47	405.29	2.09	-73.38
CC1C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024684440	1	52	0.0	-75.47	405.29	2.09	-73.38
CN1CCOCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684468	0	53	0.0	-70.12	410.67	0.59	-69.53
C[N@@H+]1CCOCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684468	1	53	0.0	-67.78	410.67	0.59	-67.19
C[N@H+]1CCOCC1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024684468	1	53	0.0	-67.78	410.67	0.59	-67.19
O=C(CN1CCC1)NCCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684627	0	54	0.0	-72.91	434.17	0.38	-72.53
O=C(C[NH+]1CCC1)NCCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684627	1	54	0.0	-72.91	434.17	0.38	-72.53
CC[N@H+](C)CC(=O)NCCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684642	0	56	0.0	-72.37	441.80	0.63	-71.74
O=C(CSC1=NNC(=O)[N-]1)NCCCN1CCN(C(=O)CC2CC2)CC1	REAL300024684672	0	52	0.0	-82.29	421.76	2.95	-79.34
O=C(CSC1=NNC(=O)[N-]1)NCCC[NH+]1CCN(C(=O)CC2CC2)CC1	REAL300024684672	1	52	0.0	-82.29	421.76	2.95	-79.34
COCC(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684675	0	49	0.0	-86.42	403.10	0.74	-85.68
COCC(=O)N1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684675	1	49	0.0	-86.42	403.10	0.74	-85.68
CCCC(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684676	0	51	0.0	-82.37	411.87	2.12	-80.25
CCCC(=O)N1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684676	1	51	0.0	-82.37	411.87	2.12	-80.25
CC(=O)NCC(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684678	0	52	0.0	-84.43	429.03	-1.01	-85.44
CC(=O)NCC(=O)N1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684678	1	52	0.0	-84.43	429.03	-1.01	-85.44
CC(C)CC(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684679	0	54	0.0	-81.77	428.60	2.72	-79.05
CC(C)CC(=O)N1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684679	1	54	0.0	-81.77	428.60	2.72	-79.05
CC1CC1C(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684680	0	52	0.0	-80.45	416.46	2.85	-77.60
CC1CC1C(=O)N1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684680	1	52	0.0	-80.45	416.46	2.85	-77.60
CCOCC(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684681	0	52	0.0	-86.43	424.95	1.70	-84.73
CCOCC(=O)N1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684681	1	52	0.0	-86.43	424.95	1.70	-84.73
CC(C)=CC(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684682	0	52	0.0	-79.79	419.41	2.67	-77.12
CC(C)=CC(=O)N1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684682	1	52	0.0	-79.79	419.41	2.67	-77.12
O=C(CSC1=NNC(=O)[N-]1)NCCCN1CCN(C(=O)C2CCCO2)CC1	REAL300024684683	0	53	0.0	-87.50	423.21	1.75	-85.75
O=C(CSC1=NNC(=O)[N-]1)NCCC[NH+]1CCN(C(=O)C2CCCO2)CC1	REAL300024684683	1	53	0.0	-87.50	423.21	1.75	-85.75
CC(C)CCC(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684685	0	57	0.0	-82.66	450.94	3.41	-79.25
CC(C)CCC(=O)N1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684685	1	57	0.0	-82.66	450.94	3.41	-79.25
O=C(CSC1=NNC(=O)[N-]1)NCCCN1CCN(C(=O)C2=CC=CN2)CC1	REAL300024684686	0	50	0.0	-85.69	410.02	1.68	-84.01
O=C(CSC1=NNC(=O)[N-]1)NCCC[NH+]1CCN(C(=O)C2=CC=CN2)CC1	REAL300024684686	1	50	0.0	-85.69	410.02	1.68	-84.01
CCCCCC(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684688	0	57	0.0	-82.51	454.87	3.68	-78.83
CCCCCC(=O)N1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684688	1	57	0.0	-82.51	454.87	3.68	-78.83
CC(C)(C)CC(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684689	0	57	0.0	-80.91	443.57	3.23	-77.68
CC(C)(C)CC(=O)N1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684689	1	57	0.0	-80.91	443.57	3.23	-77.68
CCCCC(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684690	0	54	0.0	-82.55	433.37	2.90	-79.65
CCCCC(=O)N1CC[NH+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684690	1	54	0.0	-82.55	433.37	2.90	-79.65
CC(C)C(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684691	0	51	0.0	-81.99	410.22	1.93	-80.06
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CC(C(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1)=C1CC1	REAL300024684843	0	53	0.0	-81.38	437.31	3.41	-77.97
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C=CC(=O)N1CCN(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684848	0	46	0.0	-81.76	381.60	1.11	-80.65
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C[N@@H+]1CCCC1C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024684952	0	54	0.0	-72.52	422.58	-0.27	-72.79
CCC(C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024685042	0	56	0.0	-70.13	433.29	0.11	-70.02
CCC[N@H+](C)CC(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685047	0	56	0.0	-73.03	441.80	0.57	-72.46
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CC[N@H+](C)CCC(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685112	0	56	0.0	-74.48	442.66	0.40	-74.08
CC[N@@H+](C)CCC(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685112	1	56	0.0	-74.48	442.66	0.40	-74.08
CC[C@@H](C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024685115	0	56	0.0	-69.46	431.88	0.01	-69.45
CC(C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)N1CCC1	REAL300024685136	0	54	0.0	-70.01	429.67	0.07	-69.94
CC(C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024685136	1	54	0.0	-70.01	429.67	0.07	-69.94
C[N@H+](CC(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024685142	0	54	0.0	-70.04	431.83	0.57	-69.47
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C[C@@H](C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024685154	0	53	0.0	-70.89	419.57	-0.60	-71.49
[N-]=[N+]=NCC(=O)NCCN1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024685157	0	44	0.0	-24.34	379.53	-5.22	-29.56
C[C@@H](C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024685174	0	53	0.0	-70.89	419.57	-0.60	-71.49
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C[C@H](C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024685194	0	53	0.0	-71.08	420.59	-0.42	-71.50
CC1C[NH+](CC(=O)NCCN2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024685200	1	54	0.0	-72.85	432.74	0.10	-72.75
CC[N@H+](C)CC(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685215	0	53	0.0	-72.55	420.30	-0.15	-72.70
CC[N@@H+](C)CC(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685215	1	53	0.0	-72.59	420.30	-0.16	-72.75
C[NH+](C)CC=CC(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685230	0	54	0.0	-77.56	438.53	0.38	-77.18
CC[N@@H+]1CCC1C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685234	1	54	0.0	-71.47	426.43	0.06	-71.41
CC[N@H+]1CCC1C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685234	1	54	0.0	-71.75	433.10	0.03	-71.72
C[NH+](C)C(C)(C)C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685246	0	56	0.0	-75.72	430.02	0.34	-75.38
C[NH+](C)C1(C(=O)NCCN2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024685265	0	54	0.0	-74.97	431.10	0.55	-74.42
CC(C[NH+](C)C)C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685282	0	56	0.0	-74.10	440.96	0.47	-73.63
CC1CC[N@@H+]1CC(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685289	1	54	0.0	-70.49	427.29	-0.16	-70.65
CC1CC[N@H+]1CC(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685289	1	54	0.0	-71.43	432.80	0.08	-71.35
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C[N@H+]1CCCC1C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685392	1	54	0.0	-69.88	421.06	-0.39	-70.27
CCC(C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024685458	0	56	0.0	-69.75	432.59	0.12	-69.63
CCC[N@H+](C)CC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685462	0	56	0.0	-71.62	441.79	0.50	-71.12
CCC[N@@H+](C)CC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685462	1	56	0.0	-71.53	441.79	0.49	-71.04
CC[N@H+](C)CCC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685477	0	56	0.0	-73.56	442.65	0.36	-73.20
CC[N@@H+](C)CCC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685477	1	56	0.0	-73.57	442.66	0.36	-73.21
CC[C@@H](C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024685516	0	56	0.0	-67.85	427.28	-0.09	-67.94
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C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685554	1	54	0.0	-68.34	424.00	-0.14	-68.48
C[C@@H](C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024685605	0	53	0.0	-69.63	419.40	-0.51	-70.14
CC1C[NH+](CC(=O)N2CCN(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024685626	1	54	0.0	-71.55	433.85	0.18	-71.37
CC[N@H+](C)CC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685644	0	53	0.0	-71.15	420.29	-0.25	-71.40
CC[N@@H+](C)CC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685644	1	53	0.0	-71.19	420.29	-0.26	-71.45
CC(C[NH+](C)C)C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685669	0	56	0.0	-73.39	439.41	0.16	-73.23
C[NH+](C)C1(C(=O)N2CCN(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024685671	0	54	0.0	-72.28	422.04	-0.42	-72.70
C[C@H](C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024685675	0	53	0.0	-69.69	418.64	-0.58	-70.27
CC[N@@H+]1CCC1C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685677	1	54	0.0	-68.63	422.98	-0.51	-69.14
CC[N@H+]1CCC1C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685677	1	54	0.0	-70.48	433.68	0.07	-70.41
C[NH+](C)C(C)(C)C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685684	0	56	0.0	-70.55	423.16	-0.45	-71.00
[N-]=[N+]=NCC(=O)N1CCN(CCNC(=O)CSC2=NC(=O)NN2)CC1	REAL300024685727	0	44	0.0	-24.29	378.44	-5.50	-29.79
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685738	0	54	0.0	-71.82	428.54	0.04	-71.78
C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685738	1	54	0.0	-69.85	421.00	-0.39	-70.24
C[N@H+](CC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024685769	0	54	0.0	-68.51	431.85	0.48	-68.03
C[N@@H+](CC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024685769	1	54	0.0	-69.04	431.99	0.49	-68.55
C[NH+]1CC(CC(=O)N2CCN(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024685791	0	54	0.0	-73.32	433.86	-0.04	-73.36
C[NH+](C)CC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685794	0	50	0.0	-71.97	402.57	-0.92	-72.89
C[C@@H](C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024685797	0	53	0.0	-69.63	419.40	-0.51	-70.14
CC1CC[N@@H+]1CC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685804	1	54	0.0	-70.37	433.89	0.16	-70.21
CC1CC[N@H+]1CC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685804	1	54	0.0	-70.30	433.87	0.16	-70.14
C[NH+](C)CC=CC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685805	0	54	0.0	-76.35	437.41	0.31	-76.04
CC[NH+](CC)CC(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685811	0	56	0.0	-69.66	434.15	0.15	-69.51
O=C(CSC1=NNC(=O)[N-]1)NCCN1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024685812	1	51	0.0	-71.75	412.65	-0.51	-72.26
CC(C(=O)N1CCN(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024685829	0	54	0.0	-69.30	430.45	-0.02	-69.32
C[N@@H+]1CCC[C@H]1C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685885	0	54	0.0	-69.89	428.85	0.26	-69.63
C[N@H+]1CCC[C@H]1C(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024685885	1	54	0.0	-72.33	421.47	-0.43	-72.76
C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686062	0	46	0.0	-70.79	373.05	0.71	-70.08
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686062	1	46	0.0	-72.82	374.04	0.72	-72.10
C[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024686086	1	47	0.0	-86.03	391.41	0.61	-85.42
C[N@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024686086	1	47	0.0	-81.17	384.34	0.45	-80.72
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024686242	0	55	0.0	-70.50	420.44	2.74	-67.76
CC(C)[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686244	0	55	0.0	-66.62	426.30	2.66	-63.96
CC(C)[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686244	1	55	0.0	-68.31	427.35	2.64	-65.67
CC(C)[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686264	0	52	0.0	-73.65	407.03	2.40	-71.25
CC(C)[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686264	1	52	0.0	-71.74	403.59	2.16	-69.58
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024686280	0	53	0.0	-71.52	421.25	2.90	-68.62
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024686280	1	53	0.0	-77.03	421.62	2.84	-74.19
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686298	1	50	0.0	-70.20	419.85	2.88	-67.32
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686323	1	44	0.0	-71.77	383.54	1.76	-70.01
CC(C[NH+]1CCOCC1)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686324	0	53	0.0	-75.75	424.48	0.88	-74.87
O=C(CCC[NH+]1CCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686339	0	55	0.0	-75.90	439.16	3.34	-72.56
CC(C)(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024686353	0	55	0.0	-75.69	423.51	3.10	-72.59
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024686361	0	50	0.0	-79.24	395.22	1.96	-77.28
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024686396	0	53	0.0	-68.04	418.59	3.02	-65.02
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024686396	1	53	0.0	-66.96	417.81	2.99	-63.97
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024686406	0	49	0.0	-77.23	391.51	1.36	-75.87
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024686406	1	49	0.0	-78.30	396.93	1.41	-76.89
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024686410	0	52	0.0	-75.62	411.52	1.85	-73.77
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024686410	1	52	0.0	-76.51	416.01	2.19	-74.32
CC[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024686419	1	50	0.0	-80.36	402.14	1.08	-79.28
CC[N@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024686419	1	50	0.0	-84.36	409.27	1.26	-83.10
CC[NH+](CC)CC(F)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686458	0	51	0.0	-76.85	413.41	1.88	-74.97
CC1CCC(C)[NH+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686517	0	52	0.0	-71.46	411.26	2.17	-69.29
O=C(CCC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686523	0	52	0.0	-75.55	423.94	2.68	-72.87
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024686527	0	51	0.0	-80.61	423.91	3.01	-77.60
O=C(CC[NH+]1CCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686528	0	52	0.0	-75.96	417.66	2.55	-73.41
CC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686532	0	52	0.0	-70.59	404.31	2.25	-68.34
CC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686532	1	52	0.0	-70.42	403.40	2.24	-68.18
CC(C)C[N@@H+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024686544	0	55	0.0	-75.45	438.95	3.14	-72.31
CC(C)C[N@H+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024686544	1	55	0.0	-74.55	438.82	3.15	-71.40
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024686547	0	49	0.0	-69.06	386.67	1.76	-67.30
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686549	0	55	0.0	-66.70	425.69	2.26	-64.44
CC(C)[N@H+]1CCCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686549	1	55	0.0	-69.15	422.77	2.24	-66.91
CC(C)[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024686560	0	51	0.0	-73.97	398.47	1.66	-72.31
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024686597	0	49	0.0	-72.85	400.25	2.13	-70.72
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024686597	1	49	0.0	-72.83	400.39	2.14	-70.69
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024686641	0	55	0.0	-68.19	423.75	2.29	-65.90
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686692	1	48	0.0	-71.97	400.79	1.91	-70.06
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686692	1	48	0.0	-72.49	406.47	2.38	-70.11
C[N@@H+]1CCCC1CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686697	0	52	0.0	-78.94	421.50	2.66	-76.28
C[N@H+]1CCCC1CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686697	1	52	0.0	-74.35	415.89	2.19	-72.16
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024686704	0	53	0.0	-73.66	410.58	2.35	-71.31
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024686707	0	53	0.0	-70.90	415.82	2.65	-68.25
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024686707	1	53	0.0	-70.86	415.66	2.65	-68.21
O=C(CCCC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686722	0	55	0.0	-76.63	443.82	3.35	-73.28
C[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024686733	0	49	0.0	-80.16	398.68	1.82	-78.34
C[NH+](C)CC1=CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024686762	1	48	0.0	-81.88	412.26	1.12	-80.76
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686786	0	49	0.0	-72.22	395.93	1.77	-70.45
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686786	1	49	0.0	-72.25	395.96	1.78	-70.47
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686805	0	55	0.0	-73.65	432.98	2.82	-70.83
CC(C)C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686805	1	55	0.0	-71.71	439.01	3.31	-68.40
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024686890	0	44	0.0	-75.87	384.28	3.65	-72.22
CC1=[NH+]C=CN1CCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686896	1	50	0.0	-71.61	424.15	3.07	-68.54
O=C(CC[NH+]1CCOCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686900	1	50	0.0	-79.17	409.38	0.15	-79.02
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686925	1	44	0.0	-73.62	382.81	2.46	-71.16
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024686957	0	50	0.0	-76.48	398.66	2.15	-74.33
C[NH+](C)C1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024686977	0	55	0.0	-68.14	426.41	2.82	-65.32
C[N@@H+]1CCC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024686979	0	49	0.0	-77.22	400.53	1.78	-75.44
C[N@H+]1CCC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024686979	1	49	0.0	-77.13	400.42	1.77	-75.36
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024686990	0	48	0.0	-83.70	404.86	0.94	-82.76
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024686995	0	48	0.0	-71.93	383.69	1.14	-70.79
C[NH+](C)C1(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024687005	0	55	0.0	-78.46	418.55	2.60	-75.86
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024687039	1	44	0.0	-80.84	384.55	3.65	-77.19
C[NH+](C)CCCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687084	0	51	0.0	-77.55	419.51	2.29	-75.26
CC(C)C(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024687102	0	51	0.0	-69.83	397.50	1.66	-68.17
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687104	0	51	0.0	-77.21	415.71	2.10	-75.11
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687104	1	51	0.0	-77.31	415.71	2.10	-75.21
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687109	0	48	0.0	-75.04	393.38	1.55	-73.49
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687109	1	48	0.0	-74.94	393.34	1.55	-73.39
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024687129	0	50	0.0	-76.24	395.76	1.37	-74.87
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024687129	1	50	0.0	-75.53	395.61	1.39	-74.14
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687161	0	46	0.0	-75.23	374.05	0.72	-74.51
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687161	1	46	0.0	-70.70	379.43	1.21	-69.49
CCCCCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687208	0	57	0.0	-76.36	457.83	3.91	-72.45
CCCCCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687208	1	57	0.0	-76.29	457.88	3.91	-72.38
CC[NH+](CC)C(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024687211	0	57	0.0	-67.56	431.28	3.65	-63.91
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687219	0	48	0.0	-73.39	385.73	1.23	-72.16
CCC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687250	0	55	0.0	-67.46	431.63	3.36	-64.10
CCC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687250	1	55	0.0	-74.21	437.86	3.17	-71.04
CC(C)[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687264	1	53	0.0	-73.81	418.98	1.59	-72.22
CC(C)[N@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687264	1	53	0.0	-73.57	418.78	1.62	-71.95
CC1CC[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024687291	0	52	0.0	-75.61	417.06	2.64	-72.97
C[NH+]1CCC(OCC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024687314	0	53	0.0	-81.61	434.09	2.23	-79.38
C[NH+](C)CC1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024687324	0	49	0.0	-77.56	404.65	1.92	-75.64
CC(C)[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024687387	0	55	0.0	-77.35	429.41	2.77	-74.58
C[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024687403	0	49	0.0	-80.16	398.68	1.82	-78.34
CC(C)[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024687421	0	51	0.0	-71.62	403.32	2.27	-69.35
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024687451	0	54	0.0	-67.60	419.34	2.46	-65.14
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687501	0	48	0.0	-76.47	394.21	1.36	-75.11
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687501	1	48	0.0	-76.50	394.21	1.37	-75.13
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687550	0	49	0.0	-72.44	399.39	1.95	-70.49
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687550	1	49	0.0	-72.20	399.46	1.94	-70.26
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687552	0	49	0.0	-74.50	399.46	1.90	-72.60
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687552	1	49	0.0	-73.98	399.36	1.85	-72.13
CC1(C)CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687556	0	52	0.0	-72.77	418.30	2.40	-70.37
CC1(C)CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687556	1	52	0.0	-74.25	419.17	2.41	-71.84
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024687557	0	54	0.0	-75.17	421.98	2.55	-72.62
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024687557	1	54	0.0	-74.60	424.25	2.72	-71.88
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024687565	0	48	0.0	-71.01	384.37	1.19	-69.82
C[NH+]1CCC(O)(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024687707	0	53	0.0	-73.20	421.74	0.54	-72.66
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687718	0	42	0.0	-75.17	354.14	0.14	-75.03
O=C(C[NH+]1CCC(CO)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687722	1	53	0.0	-78.21	427.91	-0.67	-78.88
O=C(C[NH+]1CCCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687723	0	52	0.0	-74.55	405.08	2.19	-72.36
CN1C=C[N+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024687727	0	44	0.0	-72.09	385.34	3.66	-68.43
C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687733	0	49	0.0	-68.64	392.33	1.99	-66.65
C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687733	1	49	0.0	-74.27	397.76	1.78	-72.49
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024687738	0	50	0.0	-75.15	406.09	2.25	-72.90
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024687738	1	50	0.0	-72.09	401.79	1.92	-70.17
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024687762	1	46	0.0	-72.43	381.87	1.18	-71.25
CCC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024687766	0	54	0.0	-69.93	429.34	2.76	-67.17
C[NH+](C)CC(C)(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687773	0	51	0.0	-74.83	403.28	1.99	-72.84
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024687788	0	51	0.0	-75.24	406.32	3.11	-72.13
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024687788	1	51	0.0	-75.75	407.97	3.18	-72.57
O=C(C[NH+]1CCC(O)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687796	1	50	0.0	-80.08	407.31	-1.32	-81.40
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024687797	0	46	0.0	-71.97	383.38	1.55	-70.42
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024687797	1	46	0.0	-71.75	383.38	1.55	-70.20
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024687798	1	54	0.0	-73.37	426.45	-0.01	-73.38
C[NH+]1CC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687816	0	46	0.0	-76.14	385.55	0.97	-75.17
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024687820	0	53	0.0	-74.63	426.34	3.15	-71.48
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024687820	1	53	0.0	-73.94	419.40	2.59	-71.35
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687828	0	52	0.0	-72.72	397.74	1.70	-71.02
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687828	1	52	0.0	-71.85	415.85	1.92	-69.93
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024687839	0	45	0.0	-72.66	372.28	0.55	-72.11
[N-]=[N+]=NCC(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024687846	0	36	0.0	-26.54	331.08	-4.26	-30.80
CCC1CCC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687871	0	55	0.0	-73.02	427.52	2.83	-70.19
CCC1CCC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024687871	1	55	0.0	-75.59	428.00	3.25	-72.34
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024687878	0	50	0.0	-83.61	419.74	1.58	-82.03
[NH2+]=C1SC=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687920	0	42	0.0	-71.62	381.18	0.33	-71.29
C[N@H+](CCO)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687930	0	49	0.0	-76.56	404.56	-1.86	-78.42
C[N@@H+](CCO)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687930	1	49	0.0	-75.58	404.51	-1.87	-77.45
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024687931	0	45	0.0	-72.66	372.28	0.55	-72.11
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687935	0	49	0.0	-71.78	386.71	1.60	-70.18
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687935	1	49	0.0	-70.36	395.93	1.78	-68.58
CC1CN2CC[N@@H+]1CC2C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687943	0	52	0.0	-79.12	406.92	-0.86	-79.98
CC1CN2CC[N@H+]1CC2C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687943	1	52	0.0	-80.92	406.82	-0.85	-81.77
O=C(C[NH+]1CCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688005	1	43	0.0	-73.49	363.49	0.64	-72.85
C[N@@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688030	0	47	0.0	-76.78	391.93	1.70	-75.08
C[N@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688030	1	47	0.0	-77.73	392.82	1.71	-76.02
C[NH+](C)CCOCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688061	0	49	0.0	-75.41	409.98	1.20	-74.21
CCCCC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688066	0	57	0.0	-78.25	458.70	3.66	-74.59
CCCCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688066	1	57	0.0	-78.30	458.70	3.66	-74.64
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024688075	0	53	0.0	-75.88	432.83	2.11	-73.77
C=CCC(C)(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024688082	0	52	0.0	-77.64	406.85	3.02	-74.62
C[S+](C)CCC(O)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688086	0	48	0.0	-82.88	418.98	-0.19	-83.07
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688111	0	50	0.0	-82.09	400.31	-1.72	-83.81
CN1CC[N@H+](C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688121	0	54	0.0	-71.70	423.07	0.31	-71.39
CN1CC[N@@H+](C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688121	1	54	0.0	-71.70	423.07	0.31	-71.39
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024688122	0	53	0.0	-72.31	423.10	-0.74	-73.05
O=C(CN1CCC(CO)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688130	0	53	0.0	-78.21	427.91	-0.67	-78.88
O=C(C[NH+]1CCC(CO)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688130	1	53	0.0	-78.21	427.91	-0.67	-78.88
C[N@@H+]1CCCC(O)(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688139	0	53	0.0	-70.93	424.36	0.52	-70.41
C[N@H+]1CCCC(O)(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688139	1	53	0.0	-70.93	424.36	0.52	-70.41
CC1CN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688142	0	46	0.0	-73.46	384.43	1.25	-72.21
CC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688142	1	46	0.0	-73.46	384.43	1.25	-72.21
C[N@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688165	1	46	0.0	-75.31	382.23	-2.42	-77.73
C[N@@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688165	1	46	0.0	-75.65	381.94	-2.40	-78.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024688186	0	52	0.0	-86.67	400.97	-0.07	-86.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024688186	1	52	0.0	-82.77	402.26	-0.54	-83.31
CC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688191	0	52	0.0	-68.31	410.08	2.62	-65.69
CC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688191	1	52	0.0	-73.77	416.23	2.45	-71.32
CC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024688193	0	51	0.0	-76.38	411.29	2.15	-74.23
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688200	0	45	0.0	-74.67	371.88	0.81	-73.86
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688200	1	45	0.0	-74.60	371.84	0.81	-73.79
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024688219	0	53	0.0	-67.44	406.91	2.75	-64.69
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024688219	1	53	0.0	-69.60	409.57	2.66	-66.94
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024688224	0	51	0.0	-68.90	401.55	2.46	-66.44
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024688224	1	51	0.0	-78.39	400.19	3.03	-75.36
CC[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024688243	0	49	0.0	-71.45	402.71	2.17	-69.28
CC[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024688243	1	49	0.0	-71.27	403.52	2.21	-69.06
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688256	0	51	0.0	-75.92	407.74	1.79	-74.13
C[NH+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024688267	0	50	0.0	-75.56	407.64	2.42	-73.14
CC1(O)CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688300	0	50	0.0	-72.28	409.11	-1.43	-73.71
CC1(O)CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688300	1	50	0.0	-73.96	410.07	-1.44	-75.40
C[NH+](C)CC=CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688307	0	46	0.0	-79.60	391.37	1.40	-78.20
CC(OCC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688325	0	52	0.0	-72.92	428.83	1.91	-71.01
C[NH+](C)CCOCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688332	0	52	0.0	-75.92	430.97	0.94	-74.98
COCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688333	1	49	0.0	-75.62	404.23	-0.02	-75.64
COCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688333	1	49	0.0	-75.56	404.49	-0.02	-75.58
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024688360	0	52	0.0	-68.67	402.33	2.33	-66.34
CC(CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024688363	0	51	0.0	-74.86	411.42	1.88	-72.98
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688369	1	46	0.0	-72.19	378.52	0.82	-71.37
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688369	1	46	0.0	-72.18	378.56	0.82	-71.36
CC(C)[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688377	0	55	0.0	-66.48	426.61	3.16	-63.32
CC(C)[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688377	1	55	0.0	-67.90	426.76	3.14	-64.76
O=C(C[N@H+]1CCCC1CO)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688388	0	50	0.0	-74.14	403.68	-1.76	-75.90
O=C(C[N@@H+]1CCCC1CO)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688388	1	50	0.0	-74.10	403.69	-1.80	-75.90
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024688410	0	53	0.0	-71.52	421.25	2.90	-68.62
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024688410	1	53	0.0	-77.03	421.62	2.84	-74.19
C[NH+]1CCC(C)(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024688416	0	52	0.0	-69.11	410.31	2.25	-66.86
C[NH+](C)CC1=CNC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024688422	0	50	0.0	-78.83	419.58	1.48	-77.35
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024688436	0	53	0.0	-75.39	425.00	-0.95	-76.34
C=CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024688442	0	49	0.0	-72.08	396.88	1.67	-70.41
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688452	0	52	0.0	-72.72	408.10	1.81	-70.91
C[N@H+]1CC(C)(C)CC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688452	1	52	0.0	-73.54	413.47	1.76	-71.78
C[NH+](C)CCCCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688455	0	54	0.0	-76.82	441.00	3.07	-73.75
O=C(C[NH+]1CC2CC2C1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688463	0	47	0.0	-75.22	389.44	2.03	-73.19
CC1C[N@@H+]2CCN1C(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024688488	0	52	0.0	-81.21	407.03	-0.78	-81.99
CC1C[N@H+]2CCN1C(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024688488	1	52	0.0	-84.04	406.97	-0.79	-84.83
CCCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024688489	0	51	0.0	-73.00	405.20	1.91	-71.09
C[NH+](C)C(C)(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688493	0	48	0.0	-79.45	381.31	1.32	-78.13
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688527	0	49	0.0	-72.22	395.93	1.77	-70.45
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688527	1	49	0.0	-72.25	395.96	1.78	-70.47
C[N@H+]1CC=C(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024688559	0	50	0.0	-73.15	413.29	2.47	-70.68
C[N@@H+]1CC=C(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024688559	1	50	0.0	-70.68	412.29	2.47	-68.21
O=C(CC1([NH+]2CCCC2)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688567	0	53	0.0	-72.65	418.10	2.81	-69.84
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024688606	1	49	0.0	-83.43	418.64	1.95	-81.48
O=C(C=CC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688620	0	50	0.0	-77.54	415.40	2.49	-75.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024688639	0	53	0.0	-76.31	427.95	3.22	-73.09
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024688657	0	46	0.0	-76.72	382.64	1.51	-75.21
O=C(CC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688659	0	49	0.0	-76.76	400.82	1.76	-75.00
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024688692	0	49	0.0	-82.18	389.50	-1.37	-83.55
C[N@@H+]1CC2CC1(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024688701	0	47	0.0	-79.29	384.73	1.38	-77.91
C[N@H+]1CC2CC1(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024688701	1	47	0.0	-78.25	384.28	1.50	-76.75
O=C(C[N@@H+]1CC2CCC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688712	0	50	0.0	-70.35	396.96	2.06	-68.29
O=C(C[N@H+]1CC2CCC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688712	1	50	0.0	-73.09	400.90	2.28	-70.81
O=C(C=C1C[NH+]2CCC1CC2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688749	0	51	0.0	-69.46	409.66	2.58	-66.88
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688759	1	48	0.0	-71.51	392.96	2.01	-69.50
O=C(C[N@H+]1CC2C=CC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688759	1	48	0.0	-73.08	393.75	2.15	-70.93
CC[NH+]1CCN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024688787	0	54	0.0	-72.88	430.87	0.33	-72.55
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688801	0	48	0.0	-75.82	392.54	1.41	-74.41
C[N@@H+]1CCCCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688864	0	52	0.0	-66.52	405.85	2.20	-64.32
C[N@H+]1CCCCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688864	1	52	0.0	-77.38	413.23	2.36	-75.02
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024688878	1	49	0.0	-73.08	402.11	1.88	-71.20
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688881	1	46	0.0	-72.73	379.78	0.99	-71.74
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688881	1	46	0.0	-73.59	385.42	1.26	-72.33
C[NH+](C)CC(O)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688884	0	49	0.0	-80.24	406.81	-0.86	-81.10
CC1C[N@H+](C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024688908	1	50	0.0	-87.46	405.95	1.32	-86.14
CC1C[N@@H+](C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024688908	1	50	0.0	-86.86	412.69	1.32	-85.54
O=C(CC[NH+]1CCC(O)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688916	0	53	0.0	-79.79	428.75	-0.80	-80.59
CCC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688918	0	55	0.0	-68.58	434.32	3.15	-65.43
CCC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688918	1	55	0.0	-71.27	425.83	2.99	-68.28
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024688978	0	49	0.0	-74.35	403.68	1.88	-72.47
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688985	0	51	0.0	-74.35	413.21	2.05	-72.30
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024689003	0	53	0.0	-70.22	424.59	-0.46	-70.68
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024689003	1	53	0.0	-72.31	424.15	-0.65	-72.96
C#CC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689008	1	51	0.0	-72.90	411.97	2.76	-70.14
C#CC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689008	1	51	0.0	-72.85	411.89	2.79	-70.06
C[NH+]1CCN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024689011	1	51	0.0	-73.99	413.13	-0.35	-74.34
CC[NH+]1CCN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024689019	0	54	0.0	-72.88	430.87	0.33	-72.55
C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689189	0	46	0.0	-68.34	374.41	0.87	-67.47
C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689189	1	46	0.0	-68.57	376.17	0.97	-67.60
C[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024689215	1	47	0.0	-83.36	386.71	0.41	-82.95
C[N@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024689215	1	47	0.0	-82.35	386.41	0.41	-81.94
CC1=[NH+]C=CN1CCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689372	1	50	0.0	-70.00	424.95	3.06	-66.94
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024689376	1	50	0.0	-76.38	409.27	0.15	-76.23
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024689396	0	50	0.0	-66.48	390.34	1.49	-64.99
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024689404	1	44	0.0	-81.39	388.77	3.51	-77.88
C[NH+](C)C1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024689452	0	55	0.0	-67.40	420.76	2.47	-64.93
C[N@@H+]1CCC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024689454	0	49	0.0	-74.36	400.45	1.71	-72.65
C[N@H+]1CCC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024689454	1	49	0.0	-75.10	399.13	1.72	-73.38
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689465	0	48	0.0	-67.69	398.88	0.42	-67.27
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024689470	0	48	0.0	-69.99	382.40	1.13	-68.86
C[NH+](C)CCCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689522	0	51	0.0	-74.80	418.18	2.26	-72.54
CC(C)C(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024689542	0	51	0.0	-70.08	396.89	1.91	-68.17
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689544	0	51	0.0	-74.34	415.57	2.10	-72.24
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689544	1	51	0.0	-74.43	415.57	2.10	-72.33
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689549	0	48	0.0	-72.05	392.03	1.49	-70.56
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689549	1	48	0.0	-72.03	392.10	1.51	-70.52
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024689569	0	50	0.0	-76.67	385.53	0.90	-75.77
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024689569	1	50	0.0	-77.06	385.36	0.90	-76.16
CCCCCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689592	0	57	0.0	-73.38	456.54	3.85	-69.53
CCCCCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689592	1	57	0.0	-73.39	456.54	3.85	-69.54
CC[NH+](CC)C(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024689595	0	57	0.0	-66.55	429.52	3.00	-63.55
CC1CC[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024689624	0	52	0.0	-71.92	416.90	2.61	-69.31
C[NH+]1CCC(OCC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024689647	0	53	0.0	-78.48	433.93	2.28	-76.20
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024689686	0	53	0.0	-72.28	417.86	2.67	-69.61
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024689686	1	53	0.0	-72.54	416.73	2.65	-69.89
C[NH+](C)CC1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024689695	0	49	0.0	-70.44	402.11	1.71	-68.73
CC(C)[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024689705	0	55	0.0	-73.64	423.67	2.43	-71.21
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689721	0	48	0.0	-73.62	394.07	1.36	-72.26
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689721	1	48	0.0	-73.81	392.91	1.35	-72.46
CC(C)(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024689742	0	55	0.0	-68.00	411.68	2.88	-65.12
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024689750	0	50	0.0	-76.19	391.25	1.66	-74.53
C[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024689813	0	49	0.0	-76.53	393.00	1.47	-75.06
CC(C)[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024689831	0	51	0.0	-71.25	398.06	1.54	-69.71
CC[NH+](CC)CC(F)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689914	0	51	0.0	-73.51	414.50	1.97	-71.54
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024689942	0	55	0.0	-73.12	436.19	2.95	-70.17
CC(C)C[N@H+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024689942	1	55	0.0	-71.47	434.22	2.92	-68.55
C[NH+](C)C1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024689945	0	49	0.0	-73.63	380.73	1.08	-72.55
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024689975	0	54	0.0	-65.85	415.20	2.21	-63.64
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689992	0	49	0.0	-68.13	400.22	1.77	-66.36
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024689992	1	49	0.0	-69.07	398.16	1.88	-67.19
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024690040	0	55	0.0	-67.16	421.76	2.45	-64.71
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690042	0	55	0.0	-66.49	416.54	2.29	-64.20
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690042	1	55	0.0	-65.06	424.03	2.51	-62.55
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690062	0	52	0.0	-67.05	407.69	2.03	-65.02
CC(C)[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690062	1	52	0.0	-67.04	409.04	2.03	-65.01
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690068	0	55	0.0	-64.41	424.92	2.26	-62.15
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690068	1	55	0.0	-70.24	432.38	2.76	-67.48
CC(C)[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024690079	0	51	0.0	-69.08	394.48	1.48	-67.60
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024690097	0	49	0.0	-70.60	399.36	1.80	-68.80
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024690097	1	49	0.0	-70.68	400.16	1.82	-68.86
CC1(C)CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024690101	0	52	0.0	-71.33	418.38	2.33	-69.00
CC1(C)CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024690101	1	52	0.0	-70.63	418.93	2.36	-68.27
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024690102	0	54	0.0	-71.91	420.64	2.49	-69.42
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024690102	1	54	0.0	-71.64	422.65	2.63	-69.01
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024690110	0	48	0.0	-69.50	382.80	1.11	-68.39
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690280	1	44	0.0	-68.68	382.27	1.68	-67.00
CC(C[NH+]1CCOCC1)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690281	0	53	0.0	-74.60	421.66	0.60	-74.00
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300024690296	0	55	0.0	-73.37	438.31	3.36	-70.01
C[NH+](C)CC1=CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024690308	1	48	0.0	-82.19	409.13	1.22	-80.97
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690337	1	50	0.0	-67.10	418.51	2.81	-64.29
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024690365	0	53	0.0	-67.16	406.01	2.19	-64.97
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024690365	1	53	0.0	-67.54	405.59	2.12	-65.42
CC[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024690379	1	50	0.0	-80.39	404.22	1.00	-79.39
CC[N@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024690379	1	50	0.0	-80.34	404.19	1.01	-79.33
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024690419	0	44	0.0	-79.08	388.66	3.50	-75.58
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690424	1	44	0.0	-71.18	382.63	2.41	-68.77
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024690433	0	49	0.0	-75.05	389.49	1.06	-73.99
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024690433	1	49	0.0	-74.41	394.58	1.30	-73.11
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024690437	0	52	0.0	-73.60	406.17	1.59	-72.01
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024690437	1	52	0.0	-70.70	409.95	2.11	-68.59
CC1CCC(C)[NH+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690448	0	52	0.0	-67.97	411.15	2.14	-65.83
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024690454	0	52	0.0	-73.09	421.06	2.54	-70.55
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024690459	0	51	0.0	-78.75	418.18	2.69	-76.06
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024690460	0	52	0.0	-73.23	416.80	2.56	-70.67
CC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690465	0	52	0.0	-69.81	404.45	2.00	-67.81
CC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690465	1	52	0.0	-66.60	412.22	2.30	-64.30
C[NH+](C)C1(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024690498	0	55	0.0	-74.54	417.97	2.55	-71.99
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024690619	0	49	0.0	-69.73	399.09	2.06	-67.67
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024690619	1	49	0.0	-69.98	398.94	2.06	-67.92
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024690636	0	55	0.0	-67.53	420.83	2.49	-65.04
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300024690648	0	55	0.0	-73.47	444.14	3.43	-70.04
C[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024690659	0	49	0.0	-76.53	393.00	1.47	-75.06
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690694	0	46	0.0	-70.13	371.55	0.59	-69.54
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690694	1	46	0.0	-69.05	376.01	0.99	-68.06
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690715	1	48	0.0	-68.69	398.06	1.81	-66.88
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690715	1	48	0.0	-70.12	405.85	2.30	-67.82
C[N@@H+]1CCCC1CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690720	0	52	0.0	-74.25	421.58	2.61	-71.64
C[N@H+]1CCCC1CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690720	1	52	0.0	-72.04	415.90	2.17	-69.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024690727	0	53	0.0	-72.70	400.32	1.76	-70.94
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024690730	0	53	0.0	-66.33	417.70	2.90	-63.43
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024690730	1	53	0.0	-67.89	412.10	2.54	-65.35
CCC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024690792	0	55	0.0	-73.29	436.83	2.98	-70.31
CCC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024690792	1	55	0.0	-66.00	426.02	3.00	-63.00
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024690806	1	53	0.0	-78.01	420.98	1.50	-76.51
CC(C)[N@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024690806	1	53	0.0	-71.08	413.27	1.31	-69.77
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690827	0	49	0.0	-71.10	385.18	1.37	-69.73
C[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690827	1	49	0.0	-67.15	393.67	1.59	-65.56
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690847	0	55	0.0	-68.42	436.75	3.15	-65.27
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690847	1	55	0.0	-68.77	430.41	2.70	-66.07
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300024690860	0	53	0.0	-73.08	427.73	-0.70	-73.78
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024690901	0	49	0.0	-73.41	394.65	1.62	-71.79
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024690901	1	49	0.0	-73.26	394.47	1.65	-71.61
C[N@@H+]1CCCCC1CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690903	0	55	0.0	-75.11	426.85	2.85	-72.26
C[N@H+]1CCCCC1CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690903	1	55	0.0	-74.51	428.08	2.85	-71.66
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690981	0	52	0.0	-68.91	392.64	1.14	-67.77
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024690981	1	52	0.0	-68.22	413.98	1.80	-66.42
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024690999	0	45	0.0	-70.16	369.49	0.44	-69.72
C=CCC(C)(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024691013	0	52	0.0	-65.62	397.62	1.60	-64.02
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024691033	0	49	0.0	-73.15	402.30	1.87	-71.28
C[N@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691043	1	46	0.0	-72.52	380.95	-2.48	-75.00
C[N@@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691043	1	46	0.0	-72.23	381.84	-2.45	-74.68
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024691076	0	52	0.0	-79.13	400.42	-0.66	-79.79
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024691076	1	52	0.0	-79.26	400.31	-0.67	-79.93
C[N@H+]1CC=C(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024691122	0	50	0.0	-71.29	412.02	2.45	-68.84
C[N@@H+]1CC=C(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024691122	1	50	0.0	-69.92	411.94	2.45	-67.47
C[S+](C)CCC(O)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691136	0	48	0.0	-76.45	413.30	-0.47	-76.92
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691154	0	50	0.0	-76.52	391.98	-2.17	-78.69
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691154	1	50	0.0	-68.81	391.90	-2.55	-71.36
CN1CC[N@H+](C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024691164	0	54	0.0	-69.40	427.00	0.09	-69.31
CN1CC[N@@H+](C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024691164	1	54	0.0	-70.94	423.70	0.01	-70.93
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024691165	0	53	0.0	-70.57	422.04	-1.08	-71.65
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300024691165	1	53	0.0	-70.10	420.87	-0.86	-70.96
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024691193	0	53	0.0	-71.14	420.34	0.57	-70.57
C[N@H+]1CCCC(O)(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024691193	1	53	0.0	-71.94	411.71	0.41	-71.53
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024691197	1	46	0.0	-71.91	384.14	1.23	-70.68
CC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024691203	0	52	0.0	-65.83	405.48	2.40	-63.43
CC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024691203	1	52	0.0	-65.70	404.52	2.27	-63.43
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024691219	0	50	0.0	-68.48	405.28	2.03	-66.45
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024691219	1	50	0.0	-69.29	401.85	1.92	-67.37
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024691254	0	50	0.0	-79.71	412.80	2.38	-77.33
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024691272	0	53	0.0	-73.14	422.82	2.85	-70.29
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691310	0	45	0.0	-71.72	370.53	0.75	-70.97
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300024691355	0	48	0.0	-67.78	393.71	1.98	-65.80
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024691355	1	48	0.0	-67.84	393.46	1.97	-65.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024691355	1	48	0.0	-67.84	393.46	1.97	-65.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024691461	0	53	0.0	-66.14	401.80	1.86	-64.28
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024691461	1	53	0.0	-66.14	401.80	1.86	-64.28
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024691467	0	51	0.0	-65.86	393.87	1.67	-64.19
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024691467	1	51	0.0	-65.86	393.87	1.67	-64.19
CC(OCC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691476	0	52	0.0	-72.77	424.56	1.71	-71.06
C[NH+](C)CCOCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691484	0	52	0.0	-72.20	429.63	0.92	-71.28
COCCN(C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691486	0	49	0.0	-72.18	404.10	-0.04	-72.22
COCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691486	1	49	0.0	-72.76	403.15	-0.08	-72.84
COCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691486	1	49	0.0	-72.76	403.15	-0.08	-72.84
CC(CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024691491	0	51	0.0	-76.03	406.45	1.84	-74.19
CC[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024691513	0	49	0.0	-68.73	400.02	2.13	-66.60
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024691528	0	52	0.0	-77.11	402.91	-1.20	-78.31
C[N@@H+]1CC2CC1(C(=O)N1CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024691550	0	47	0.0	-73.76	375.73	1.38	-72.38
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024691563	0	50	0.0	-68.38	398.51	2.00	-66.38
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024691563	1	50	0.0	-68.38	398.51	2.00	-66.38
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691582	0	48	0.0	-73.62	386.87	1.07	-72.55
CCN1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691626	0	46	0.0	-71.28	383.74	1.01	-70.27
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691626	1	46	0.0	-68.70	377.32	0.68	-68.02
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691626	1	46	0.0	-68.70	377.32	0.68	-68.02
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024691636	0	55	0.0	-66.32	424.12	2.96	-63.36
CC(C)[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024691636	1	55	0.0	-66.32	424.12	2.96	-63.36
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691648	0	54	0.0	-68.05	413.26	0.39	-67.66
C#CCN1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691687	0	51	0.0	-67.41	417.90	2.78	-64.63
C#CC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691687	1	51	0.0	-69.05	406.77	2.37	-66.68
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691687	1	51	0.0	-69.05	406.77	2.37	-66.68
CCCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024691698	0	51	0.0	-70.27	403.98	1.80	-68.47
C[NH+](C)C(C)(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691705	0	48	0.0	-72.46	371.94	0.89	-71.57
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691723	0	51	0.0	-74.73	414.23	1.89	-72.84
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024691780	0	51	0.0	-69.79	402.91	3.42	-66.37
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691809	0	52	0.0	-71.07	406.75	1.72	-69.35
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691809	1	52	0.0	-71.07	406.75	1.72	-69.35
C[NH+](C)CCCCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691812	0	54	0.0	-73.91	439.67	3.04	-70.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300024691816	0	53	0.0	-76.58	428.62	-0.81	-77.39
CCC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691820	0	55	0.0	-68.71	425.78	2.75	-65.96
CCC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024691820	1	55	0.0	-68.71	425.78	2.75	-65.96
CN1CCN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024691829	0	51	0.0	-72.26	413.50	-0.40	-72.66
C[NH+]1CCN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024691829	1	51	0.0	-72.26	413.50	-0.40	-72.66
CC1CN(C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024691911	0	50	0.0	-84.59	400.66	0.74	-83.85
CC1C[N@H+](C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024691911	1	50	0.0	-72.50	400.13	0.94	-71.56
CC1C[N@@H+](C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024691911	1	50	0.0	-72.50	400.13	0.94	-71.56
CCC1CCC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024691940	0	55	0.0	-71.47	435.10	3.21	-68.26
CCC1CCC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024691940	1	55	0.0	-71.47	435.10	3.21	-68.26
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024691961	0	47	0.0	-71.65	389.43	2.00	-69.65
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300024691972	0	53	0.0	-68.79	418.02	2.86	-65.93
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692005	0	49	0.0	-67.15	393.67	1.59	-65.56
C[N@@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024692104	0	47	0.0	-79.57	392.15	1.64	-77.93
C[N@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024692104	1	47	0.0	-79.57	392.15	1.64	-77.93
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024692109	0	45	0.0	-72.01	389.69	-0.61	-72.62
[N-]=[N+]=NCC(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024692153	0	36	0.0	-27.22	331.10	-4.31	-31.53
CC[NH+]1CCN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024692160	0	54	0.0	-71.41	430.87	0.28	-71.13
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300024692163	0	51	0.0	-70.31	409.82	2.48	-67.83
C[NH+](C)C1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024692196	0	52	0.0	-67.17	387.96	1.27	-65.90
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024692204	0	53	0.0	-67.30	424.59	-0.47	-67.77
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024692204	1	53	0.0	-69.47	424.24	-0.62	-70.09
CCC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024692207	0	49	0.0	-72.50	406.56	1.91	-70.59
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024692210	0	53	0.0	-70.66	407.85	2.41	-68.25
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692222	0	46	0.0	-68.04	375.49	0.86	-67.18
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692222	1	46	0.0	-70.19	371.49	0.58	-69.61
CC[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692244	0	53	0.0	-73.98	416.81	0.44	-73.54
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024692348	0	49	0.0	-73.58	403.59	1.83	-71.75
C[NH+](C)C1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024692359	0	55	0.0	-68.21	421.21	2.51	-65.70
C[NH+](C)CCC1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024692360	0	52	0.0	-72.56	425.99	2.53	-70.03
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024692361	0	55	0.0	-68.13	421.13	2.56	-65.57
C[N@@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692362	0	50	0.0	-74.75	405.34	2.18	-72.57
C[N@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692362	1	50	0.0	-74.75	405.34	2.18	-72.57
C[NH+](C)CCOCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692414	0	49	0.0	-76.20	409.04	1.23	-74.97
CCCCC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692419	0	57	0.0	-75.65	457.41	3.65	-72.00
CCCCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692419	1	57	0.0	-75.65	457.41	3.65	-72.00
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024692430	0	53	0.0	-71.63	428.80	1.95	-69.68
[NH2+]=C1SC=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692453	0	42	0.0	-67.87	379.89	0.27	-67.60
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692518	0	52	0.0	-70.84	425.30	1.72	-69.12
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300024692549	0	55	0.0	-74.88	427.99	2.77	-72.11
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024692552	0	49	0.0	-71.08	395.70	1.98	-69.10
C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024692554	0	49	0.0	-72.97	393.02	1.44	-71.53
C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024692554	1	49	0.0	-73.53	397.55	1.60	-71.93
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300024692555	0	53	0.0	-73.08	427.73	-0.70	-73.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024692556	0	52	0.0	-71.49	407.18	2.52	-68.97
CN1C=C[N+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024692561	0	44	0.0	-69.22	385.20	3.64	-65.58
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024692576	1	49	0.0	-85.01	415.55	1.92	-83.09
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024692591	1	50	0.0	-76.11	407.13	-1.36	-77.47
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024692595	1	46	0.0	-69.41	383.38	1.54	-67.87
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024692597	1	54	0.0	-72.12	419.99	-0.43	-72.55
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300024692599	1	49	0.0	-77.83	406.95	1.86	-75.97
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024692608	1	53	0.0	-74.63	413.97	0.21	-74.42
CCOCC(N=[N+]=[N-])C(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024692616	0	46	0.0	-23.30	403.40	-3.72	-27.02
CC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024692624	0	51	0.0	-74.06	411.02	2.16	-71.90
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024692636	0	51	0.0	-76.23	411.04	0.34	-75.89
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024692636	1	51	0.0	-68.55	405.90	0.29	-68.26
CN1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692653	0	50	0.0	-68.86	395.99	-0.21	-69.07
C[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692653	1	50	0.0	-69.07	397.24	-0.21	-69.28
C[N@H+]1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692653	1	50	0.0	-68.86	395.99	-0.21	-69.07
CC[NH+]1CCN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024692661	0	54	0.0	-71.41	430.87	0.28	-71.13
CC1(O)CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024692750	1	50	0.0	-71.57	410.70	-1.48	-73.05
C[NH+]1CC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024692782	0	46	0.0	-73.75	385.27	0.97	-72.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024692786	0	53	0.0	-69.80	419.34	2.65	-67.15
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024692786	1	53	0.0	-71.60	424.70	2.91	-68.69
C[NH+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692794	0	42	0.0	-72.49	352.81	0.09	-72.40
C[N@H+](CCO)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692820	0	49	0.0	-73.67	404.42	-1.85	-75.52
C[N@@H+](CCO)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692820	1	49	0.0	-73.18	403.22	-1.90	-75.08
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024692821	0	45	0.0	-70.16	369.49	0.44	-69.72
C[N@@H+]1CCCCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692838	0	52	0.0	-74.35	411.79	2.29	-72.06
C[N@H+]1CCCCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692838	1	52	0.0	-65.97	405.78	2.20	-63.77
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024692855	0	49	0.0	-70.34	402.90	1.61	-68.73
CC1CCN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692859	0	46	0.0	-70.74	384.19	1.17	-69.57
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692859	1	46	0.0	-70.56	384.13	1.15	-69.41
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692859	1	46	0.0	-70.74	384.19	1.17	-69.57
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692870	0	46	0.0	-80.99	389.45	1.34	-79.65
CC1(C)C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024692881	1	49	0.0	-71.73	404.50	1.67	-70.06
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024692896	1	50	0.0	-67.57	423.99	1.45	-66.12
C[NH+](C)CCSCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692913	0	49	0.0	-82.50	420.06	2.10	-80.40
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300024692936	1	50	0.0	-70.87	402.49	-1.84	-72.71
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692940	0	48	0.0	-70.14	388.55	1.43	-68.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024692951	1	43	0.0	-71.77	364.41	0.58	-71.19
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024692991	0	51	0.0	-73.21	406.41	1.76	-71.45
C[NH+](C)CC1=CNC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024693048	0	50	0.0	-82.50	415.04	1.47	-81.03
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024693065	0	53	0.0	-72.89	422.56	-1.08	-73.97
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024693069	0	51	0.0	-73.90	409.27	0.27	-73.63
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024693069	1	51	0.0	-73.94	408.49	0.26	-73.68
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024693080	0	46	0.0	-70.11	375.20	0.62	-69.49
CCC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024693085	0	54	0.0	-74.36	425.47	2.62	-71.74
C[NH+](C)CC(C)(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693093	0	51	0.0	-67.45	390.67	1.25	-66.20
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693145	1	49	0.0	-68.87	393.38	1.60	-67.27
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693159	0	52	0.0	-73.54	402.68	-1.25	-74.79
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693159	1	52	0.0	-73.34	402.70	-1.28	-74.62
C[NH+](C)CC(O)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693179	0	49	0.0	-77.45	405.41	-0.84	-78.29
C[NH+]1C2CCC1CC(C(=O)N1CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024693181	0	53	0.0	-70.95	387.76	1.93	-69.02
C=CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024693211	0	49	0.0	-69.44	395.70	1.57	-67.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024693218	0	53	0.0	-72.28	417.86	2.67	-69.61
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024693218	1	53	0.0	-72.54	416.73	2.65	-69.89
C[NH+]1CCC(C)(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024693229	0	52	0.0	-72.13	400.83	1.59	-70.54
C[NH+]1CCC(O)(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024693231	0	53	0.0	-73.53	424.62	0.45	-73.08
NC(=[NH2+])SCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693255	0	40	0.0	-77.45	362.03	-2.90	-80.35
CC[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693282	0	53	0.0	-79.25	422.15	0.63	-78.62
C[NH+](C)C1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024693295	0	55	0.0	-80.45	432.93	2.99	-77.46
C[NH+](C)CCC1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024693296	0	52	0.0	-72.47	427.47	2.72	-69.75
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024693297	0	55	0.0	-73.12	426.28	2.86	-70.26
C[N@@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693298	0	50	0.0	-69.39	400.29	2.14	-67.25
C[N@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693298	1	50	0.0	-69.39	400.29	2.14	-67.25
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693319	0	52	0.0	-72.93	428.84	1.91	-71.02
C[NH+]1C2CCC1CC(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024693343	0	53	0.0	-76.88	414.13	2.37	-74.51
CCC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024693435	1	49	0.0	-75.93	406.81	2.00	-73.93
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024693437	0	53	0.0	-67.62	415.33	2.87	-64.75
C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693444	1	46	0.0	-72.84	374.04	0.71	-72.13
O=C(CC[N@@H+]1CCC(F)C1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693451	1	49	0.0	-81.00	408.23	1.98	-79.02
COC1C[N@@H+](C)C(C)(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024693459	1	53	0.0	-79.29	423.70	0.81	-78.48
O=C(CC[NH+]1CCCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693466	0	55	0.0	-77.79	428.13	2.77	-75.02
O=C(C[NH+]1CCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693468	0	49	0.0	-74.77	395.84	2.01	-72.76
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024693477	0	49	0.0	-74.73	400.49	1.57	-73.16
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024693477	1	49	0.0	-75.34	391.64	1.36	-73.98
C[N@@H+]1CCCCC1CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693479	0	55	0.0	-79.49	428.07	2.87	-76.62
C[N@H+]1CCCCC1CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693479	1	55	0.0	-77.64	427.16	2.89	-74.75
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024693501	0	51	0.0	-80.15	413.59	0.44	-79.71
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024693501	1	51	0.0	-78.59	413.07	0.42	-78.17
CN1CCOCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693518	0	50	0.0	-81.43	404.73	-0.04	-81.47
C[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693518	1	50	0.0	-72.22	397.10	-0.16	-72.38
C[N@H+]1CCOCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693518	1	50	0.0	-81.43	404.73	-0.04	-81.47
CC1=C(C)[NH+]=C(CCC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024693525	1	50	0.0	-70.51	424.35	1.43	-69.08
CCOCC(N=[N+]=[N-])C(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024693529	0	46	0.0	-24.75	406.35	-3.56	-28.31
C[NH+](C)CCSCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693599	0	49	0.0	-81.11	421.00	2.07	-79.04
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024693605	0	51	0.0	-75.00	411.83	0.48	-74.52
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024693605	1	51	0.0	-73.53	412.51	0.51	-73.02
C[N@H+]1CCCC1C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024693712	1	53	0.0	-72.38	416.26	2.94	-69.44
CCC(C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024693815	0	55	0.0	-68.61	426.89	3.40	-65.21
CCC[N@H+](C)CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024693820	0	55	0.0	-72.18	435.46	3.80	-68.38
CCC[N@@H+](C)CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024693820	1	55	0.0	-72.47	435.47	3.81	-68.66
C[N@H+]1CCC[C@@H]1C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024693828	1	53	0.0	-68.67	422.72	3.40	-65.27
CC[NH+](CC)CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024693833	0	55	0.0	-70.65	427.82	3.48	-67.17
CC[N@H+](C)CCC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024693891	0	55	0.0	-73.30	436.35	3.61	-69.69
CC[N@@H+](C)CCC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024693891	1	55	0.0	-73.26	436.33	3.61	-69.65
CC[C@@H](C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024693894	0	55	0.0	-69.41	430.49	3.99	-65.42
C[NH+](C)CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024693912	0	49	0.0	-72.80	396.23	2.40	-70.40
CC(C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+]1CCC1	REAL300024693916	1	53	0.0	-70.84	426.24	3.33	-67.51
C[N@@H+](CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300024693923	1	53	0.0	-69.07	425.51	3.80	-65.27
C[NH+]1CC(CC(=O)NC2CC23CCN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300024693929	0	53	0.0	-73.38	427.65	3.23	-70.15
C[C@@H](C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024693936	0	52	0.0	-69.89	414.34	2.80	-67.09
[N-]=[N+]=NCC(=O)NC1CC12CCN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300024693939	0	43	0.0	-23.99	373.19	-2.00	-25.99
C[C@@H](C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024693958	0	52	0.0	-69.89	414.34	2.80	-67.09
O=C(C[NH+]1CCC1)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024693976	1	50	0.0	-72.41	406.40	2.82	-69.59
C[C@H](C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024693987	0	52	0.0	-71.09	414.26	2.81	-68.28
CC1C[NH+](CC(=O)NC2CC23CCN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300024693994	1	53	0.0	-72.33	426.38	3.56	-68.77
CN(CCO)CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694005	0	53	0.0	-72.90	424.10	-0.17	-73.07
C[N@H+](CCO)CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694005	1	53	0.0	-72.27	424.32	-0.17	-72.44
C[N@@H+](CCO)CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694005	1	53	0.0	-72.90	424.10	-0.17	-73.07
CC[N@@H+](C)CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694012	1	52	0.0	-71.71	413.97	3.07	-68.64
C[NH+](C)CC=CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694030	0	53	0.0	-76.35	432.19	3.62	-72.73
CCN1CCC1C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694036	0	53	0.0	-71.02	419.52	2.95	-68.07
CC[N@@H+]1CCC1C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694036	1	53	0.0	-70.64	420.04	3.06	-67.58
CC[N@H+]1CCC1C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694036	1	53	0.0	-71.02	419.52	2.95	-68.07
C[NH+](C)C(C)(C)C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694050	0	55	0.0	-75.39	423.79	3.54	-71.85
C[NH+](C)C1(C(=O)NC2CC23CCN(C(=O)CSC2=NNC(=O)[N-]2)CC3)CC1	REAL300024694073	0	53	0.0	-75.42	420.39	3.30	-72.12
CC(C[NH+](C)C)C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694095	0	55	0.0	-68.47	433.90	3.79	-64.68
CC1CCN1CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694106	0	53	0.0	-69.75	422.02	3.20	-66.55
CC1CC[N@@H+]1CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694106	1	53	0.0	-71.15	427.55	3.48	-67.67
CC1CC[N@H+]1CC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694106	1	53	0.0	-69.75	422.02	3.20	-66.55
C[N@@H+]1CCCC1C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694221	0	53	0.0	-70.09	414.68	2.86	-67.23
C[N@H+]1CCCC1C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694221	1	53	0.0	-71.14	414.90	2.82	-68.32
CCC(C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024694295	0	55	0.0	-69.56	420.32	3.08	-66.48
CCC[N@H+](C)CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694299	0	55	0.0	-73.25	435.46	3.73	-69.52
CCC[N@@H+](C)CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694299	1	55	0.0	-73.32	435.46	3.72	-69.60
CC[N@H+](C)CCC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694316	0	55	0.0	-74.99	436.33	3.59	-71.40
CC[N@@H+](C)CCC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694316	1	55	0.0	-74.93	436.34	3.57	-71.36
CC[C@@H](C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024694357	0	55	0.0	-72.07	426.32	3.35	-68.72
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694403	0	53	0.0	-73.39	415.22	2.82	-70.57
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694403	1	53	0.0	-70.27	421.16	3.23	-67.04
C[C@@H](C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024694458	0	52	0.0	-70.81	412.51	2.69	-68.12
C[N@H+](CCO)CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694468	1	53	0.0	-73.49	424.28	-0.27	-73.76
C[N@@H+](CCO)CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694468	1	53	0.0	-73.28	424.09	-0.26	-73.54
CC1C[NH+](CC(=O)N2CCC3(CC3NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024694484	1	53	0.0	-73.38	427.54	3.39	-69.99
CC[N@H+](C)CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694502	0	52	0.0	-72.83	413.96	2.98	-69.85
CC[N@@H+](C)CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694502	1	52	0.0	-72.96	413.96	2.97	-69.99
CC(C[NH+](C)C)C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694535	0	55	0.0	-74.23	434.07	3.41	-70.82
C[NH+](C)C1(C(=O)N2CCC3(CC3NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024694538	0	53	0.0	-73.19	414.58	2.72	-70.47
C[C@H](C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024694542	0	52	0.0	-71.46	411.53	2.61	-68.85
CC[N@@H+]1CCC1C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694545	0	53	0.0	-71.89	416.62	2.83	-69.06
CC[N@H+]1CCC1C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694545	1	53	0.0	-72.64	427.32	3.24	-69.40
C[NH+](C)C(C)(C)C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694554	0	55	0.0	-74.92	416.28	2.74	-72.18
[N-]=[N+]=NCC(=O)N1CCC2(CC2NC(=O)CSC2=NC(=O)NN2)CC1	REAL300024694603	0	43	0.0	-25.53	373.20	-2.09	-27.62
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694616	0	53	0.0	-69.31	418.01	3.06	-66.25
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694616	1	53	0.0	-71.21	414.91	2.83	-68.38
C[N@H+](CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024694653	0	53	0.0	-70.26	425.52	3.71	-66.55
C[N@@H+](CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024694653	1	53	0.0	-70.96	425.66	3.72	-67.24
C[NH+]1CC(CC(=O)N2CCC3(CC3NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024694681	0	53	0.0	-74.84	427.52	3.18	-71.66
C[NH+](C)CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694684	0	49	0.0	-73.72	396.23	2.31	-71.41
C[C@@H](C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024694687	0	52	0.0	-70.81	412.51	2.69	-68.12
CC1CC[N@@H+]1CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694696	0	53	0.0	-71.42	427.58	3.42	-68.00
CC1CC[N@H+]1CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694696	1	53	0.0	-70.76	421.98	3.11	-67.65
C[NH+](C)CC=CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694697	0	53	0.0	-77.52	431.10	3.54	-73.98
CC[NH+](CC)CC(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694703	0	55	0.0	-71.04	432.24	3.67	-67.37
O=C(CSC1=NNC(=O)[N-]1)NC1CC12CCN(C(=O)C[NH+]1CCC1)CC2	REAL300024694704	1	50	0.0	-73.35	406.33	2.72	-70.63
CC(C(=O)N1CCC2(CC2NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024694727	0	53	0.0	-71.50	424.33	3.20	-68.30
NC(=[NH2+])SCC(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694767	0	47	0.0	-74.42	404.76	-0.73	-75.15
C[N@@H+]1CCC[C@H]1C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694799	0	53	0.0	-68.89	422.18	3.41	-65.48
C[N@H+]1CCC[C@H]1C(=O)NC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024694799	1	53	0.0	-72.43	416.24	2.94	-69.49
CCCN(C(=O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694911	0	54	0.0	-71.48	420.32	4.41	-67.07
CCCN(C(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694916	0	57	0.0	-70.23	434.29	4.70	-65.53
CCCN(C(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024694919	0	48	0.0	-23.37	397.29	0.01	-23.36
CCCN(C(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694926	0	57	0.0	-70.23	434.29	4.70	-65.53
CCCN(C(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694933	1	55	0.0	-71.48	430.43	4.81	-66.67
CCCN(C(=O)[C@@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694938	0	57	0.0	-70.58	434.42	4.62	-65.96
CCCN(C(=O)C[N@H+](C)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694947	0	57	0.0	-70.85	438.03	5.08	-65.77
CCCN(C(=O)C[N@@H+](C)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024694947	1	57	0.0	-70.86	438.06	5.08	-65.78
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300024695078	0	57	0.0	-68.18	437.01	4.78	-63.40
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CC)CC1	REAL300024695097	0	57	0.0	-68.45	437.99	5.04	-63.41
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CC)CC1	REAL300024695097	1	57	0.0	-68.21	438.06	5.05	-63.16
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1	REAL300024695110	0	57	0.0	-66.30	436.19	4.75	-61.55
CCCN(C(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])CC1	REAL300024695134	0	48	0.0	-23.91	397.30	-0.03	-23.94
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)CC1	REAL300024695161	0	54	0.0	-69.31	420.32	4.37	-64.94
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300024695164	0	57	0.0	-68.18	437.01	4.78	-63.40
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024695171	1	55	0.0	-68.64	430.43	4.80	-63.84
C[N@@H+]1CCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695363	0	49	0.0	-64.41	401.82	1.31	-63.10
C[N@H+]1CCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695363	1	49	0.0	-66.32	392.58	1.32	-65.00
C[N@@H+]1CCOC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024695387	1	50	0.0	-73.76	409.80	1.16	-72.60
C[N@H+]1CCOC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024695387	1	50	0.0	-73.39	412.89	0.70	-72.69
CC(C)[N@@H+]1CCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695531	0	55	0.0	-62.03	437.31	2.45	-59.58
CC(C)[N@H+]1CCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695531	1	55	0.0	-63.85	427.95	2.49	-61.36
CC1=[NH+]C=CN1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695554	1	47	0.0	-64.52	404.93	1.86	-62.66
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1C[NH+]2CCC1CC2)C1CC1	REAL300024695574	0	53	0.0	-69.87	416.87	2.04	-67.83
C[C@@H]1[C@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024695602	0	52	0.0	-68.00	410.11	1.99	-66.01
C[C@@H]1[C@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024695602	1	52	0.0	-67.25	414.67	2.28	-64.97
CC[C@@H]1[C@@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024695604	0	55	0.0	-67.40	432.52	1.93	-65.47
CC[C@@H]1[C@@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024695604	1	55	0.0	-66.15	433.65	2.99	-63.16
CC[N@@H+]1CCOC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024695609	1	53	0.0	-71.84	427.78	1.87	-69.97
CC[N@H+]1CCOC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024695609	1	53	0.0	-68.55	420.64	1.71	-66.84
CC1CCC(C)[NH+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695654	0	55	0.0	-63.17	432.27	2.11	-61.06
O=C(CCC[NH+]1CCCC1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695656	0	55	0.0	-67.70	443.72	2.68	-65.02
O=C(CC[NH+]1CCCCC1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695659	0	55	0.0	-67.81	439.05	2.65	-65.16
CC[N@@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695662	0	55	0.0	-63.14	432.30	3.00	-60.14
CC[N@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695662	1	55	0.0	-62.94	435.30	2.48	-60.46
C[NH+](C)C1(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCC1	REAL300024695672	0	52	0.0	-66.76	403.44	2.31	-64.45
CC(C)[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024695678	0	54	0.0	-65.43	423.57	2.38	-63.05
C[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024695696	0	52	0.0	-65.50	421.72	2.23	-63.27
C[N@@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024695696	1	52	0.0	-65.60	421.62	2.23	-63.37
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695750	1	51	0.0	-64.71	422.11	2.01	-62.70
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695750	1	51	0.0	-65.01	426.89	2.53	-62.48
C[N@@H+]1CCCC1CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695755	0	55	0.0	-67.86	442.90	2.75	-65.11
C[N@H+]1CCCC1CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695755	1	55	0.0	-67.32	434.53	2.81	-64.51
C[NH+]1CCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024695771	0	52	0.0	-69.45	420.10	1.91	-67.54
C[N@@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695798	0	52	0.0	-64.97	408.16	1.66	-63.31
C[N@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695798	1	52	0.0	-65.21	405.23	2.21	-63.00
O=C(CC[NH+]1CCOCC1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695851	1	53	0.0	-70.84	430.77	0.26	-70.58
CC1=C[NH+]=CN1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695863	1	47	0.0	-67.02	404.22	2.55	-64.47
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C12CCC[NH+]1CCC2)C1CC1	REAL300024695879	0	53	0.0	-64.07	417.24	2.76	-61.31
C[N@@H+]1CCC(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024695884	0	52	0.0	-68.78	419.38	2.33	-66.45
C[N@H+]1CCC(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024695884	1	52	0.0	-69.27	421.82	1.84	-67.43
CCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024695890	0	51	0.0	-65.20	406.22	1.19	-64.01
C[NH+](C)CCCCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695937	0	54	0.0	-69.23	440.87	2.39	-66.84
CC(C)C(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024695948	0	54	0.0	-65.39	425.13	2.31	-63.08
CCC[N@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695949	0	54	0.0	-68.72	437.10	2.22	-66.50
CCC[N@@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695949	1	54	0.0	-68.78	437.09	2.22	-66.56
CCC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695952	0	51	0.0	-67.36	414.73	1.67	-65.69
CCC[N@@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695952	1	51	0.0	-67.37	414.72	1.66	-65.71
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C12CC[N@H+](C1)CCC2)C1CC1	REAL300024695965	0	53	0.0	-69.43	414.54	2.02	-67.41
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C12CC[N@@H+](C1)CCC2)C1CC1	REAL300024695965	1	53	0.0	-67.40	417.16	1.45	-65.95
C[N@@H+]1CCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695987	0	49	0.0	-66.00	395.46	0.78	-65.22
C[N@H+]1CCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024695987	1	49	0.0	-64.40	398.64	1.82	-62.58
CC[NH+](CC)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696014	0	51	0.0	-65.61	407.09	1.32	-64.29
CC1CC[NH+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024696067	0	55	0.0	-67.20	438.07	2.73	-64.47
C[NH+](C)CC1(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024696085	0	52	0.0	-67.17	426.14	1.95	-65.22
C[NH+]1CCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024696131	0	52	0.0	-69.45	420.10	1.91	-67.54
CC(C)[C@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024696146	0	54	0.0	-65.32	426.02	2.34	-62.98
CCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](CC)CC	REAL300024696173	0	57	0.0	-61.80	441.64	2.53	-59.27
CC[N@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696203	0	51	0.0	-68.21	412.67	1.99	-66.22
CC[N@@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696203	1	51	0.0	-68.11	415.60	1.46	-66.65
CC1CCC[N@@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696226	0	52	0.0	-64.10	414.21	1.62	-62.48
CC1CCC[N@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696226	1	52	0.0	-64.52	420.67	2.02	-62.50
CC1CC[N@H+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696227	0	52	0.0	-66.58	417.94	2.47	-64.11
CC1CC[N@@H+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696227	1	52	0.0	-66.51	417.94	2.47	-64.04
CC1(C)CC[N@H+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696229	0	55	0.0	-66.52	437.62	3.03	-63.49
CC1(C)CC[N@@H+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696229	1	55	0.0	-66.64	438.16	3.04	-63.60
C[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)CC(C)(C)C	REAL300024696230	0	57	0.0	-67.12	443.34	2.66	-64.46
C[N@@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)CC(C)(C)C	REAL300024696230	1	57	0.0	-66.72	445.64	2.81	-63.91
CC[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024696237	0	51	0.0	-64.92	405.94	1.28	-63.64
C[NH+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696309	0	45	0.0	-67.80	375.50	0.25	-67.55
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[NH+]1CCCCCC1)C1CC1	REAL300024696312	0	55	0.0	-66.51	426.82	2.29	-64.22
CN1C=C[N+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1	REAL300024696315	0	47	0.0	-65.55	406.74	3.76	-61.79
C[N@@H+]1CCCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696319	0	52	0.0	-67.64	417.17	2.40	-65.24
C[N@H+]1CCCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696319	1	52	0.0	-62.95	413.83	2.07	-60.88
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1CCC[N@@H+]1C1CC1)C1CC1	REAL300024696324	0	53	0.0	-61.87	425.19	3.10	-58.77
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1CCC[N@H+]1C1CC1)C1CC1	REAL300024696324	1	53	0.0	-61.95	428.61	3.28	-58.67
CC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CCC1	REAL300024696336	1	49	0.0	-65.18	405.86	1.25	-63.93
CCC(CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024696340	0	57	0.0	-69.09	446.53	2.73	-66.36
C[NH+](C)CC(C)(C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696345	0	54	0.0	-66.87	425.34	1.98	-64.89
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[NH+]1CCC(O)CC1)C1CC1	REAL300024696356	1	53	0.0	-70.96	428.70	-1.22	-72.18
C[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024696357	0	49	0.0	-64.86	401.84	2.18	-62.68
C[N@@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024696357	1	49	0.0	-64.75	404.76	1.65	-63.10
C[NH+]1CC(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696371	0	49	0.0	-68.16	406.95	1.08	-67.08
CC(C)(C)[N@@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696381	0	55	0.0	-63.25	436.84	1.93	-61.32
CC(C)(C)[N@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696381	1	55	0.0	-64.09	417.95	1.94	-62.15
C[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024696391	0	48	0.0	-65.76	393.68	0.66	-65.10
[N-]=[N+]=NCC(=O)NCC(NC(=O)CSC1=NC(=O)NN1)C1CC1	REAL300024696398	0	39	0.0	-22.76	352.46	-4.16	-26.92
[NH2+]=C1SC=CN1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696440	0	45	0.0	-63.91	402.57	0.43	-63.48
C[N@H+](CCO)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696445	0	52	0.0	-68.23	425.95	-1.77	-70.00
C[N@@H+](CCO)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696445	1	52	0.0	-67.93	425.93	-1.78	-69.71
C[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024696446	0	48	0.0	-65.76	393.68	0.66	-65.10
C[N@@H+]1CCCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696449	0	52	0.0	-65.22	405.23	2.19	-63.03
C[N@H+]1CCCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696449	1	52	0.0	-64.33	414.54	2.37	-61.96
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[NH+]1CCC1)C1CC1	REAL300024696494	1	46	0.0	-67.30	385.61	0.67	-66.63
C[N@@H+]1CCC(=CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696508	0	50	0.0	-70.63	414.35	1.79	-68.84
C[N@H+]1CCC(=CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696508	1	50	0.0	-70.67	414.35	1.79	-68.88
C[NH+](C)CCOCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696528	0	52	0.0	-67.95	431.37	1.32	-66.63
C=CCC(C)(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024696539	0	55	0.0	-63.30	430.88	2.30	-61.00
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696556	0	53	0.0	-69.85	423.07	-1.43	-71.28
CC1CN(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696573	0	49	0.0	-67.41	405.59	1.40	-66.01
CC1C[NH+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696573	1	49	0.0	-67.41	405.59	1.40	-66.01
CN(CCO)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696590	0	49	0.0	-67.69	403.58	-2.33	-70.02
C[N@H+](CCO)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696590	1	49	0.0	-67.24	403.36	-2.32	-69.56
C[N@@H+](CCO)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696590	1	49	0.0	-67.24	403.36	-2.32	-69.56
CC[N@@H+]1CCCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696609	0	55	0.0	-65.99	437.77	2.52	-63.47
CC[N@H+]1CCCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696609	1	55	0.0	-65.99	437.77	2.52	-63.47
CC(CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024696611	0	54	0.0	-70.13	432.64	2.23	-67.90
CC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696614	0	48	0.0	-67.00	393.23	0.91	-66.09
CC[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024696638	0	52	0.0	-64.51	421.55	2.26	-62.25
CC[NH+](CC)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696646	0	54	0.0	-67.14	433.45	2.17	-64.97
CC1(O)CC[N@H+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024696676	0	53	0.0	-67.00	428.55	-0.81	-67.81
C[NH+](C)CC=CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696679	0	49	0.0	-70.66	412.73	1.49	-69.17
COCCN(C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696692	0	52	0.0	-67.12	425.61	0.08	-67.04
COCC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696692	1	52	0.0	-67.73	425.83	0.08	-67.65
COCC[N@@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696692	1	52	0.0	-67.73	425.83	0.08	-67.65
C[NH+](C)C1(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCCC1	REAL300024696709	0	55	0.0	-67.01	424.04	3.06	-63.95
CC(CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024696711	0	54	0.0	-68.93	429.14	1.98	-66.95
CCN1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696717	0	49	0.0	-65.19	397.39	1.51	-63.68
CC[N@@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696717	1	49	0.0	-65.73	407.13	1.28	-64.45
CC[N@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696717	1	49	0.0	-65.73	407.13	1.28	-64.45
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[N@H+]1CCCC1CO)C1CC1	REAL300024696727	0	53	0.0	-65.73	428.70	-1.14	-66.87
C[NH+]1CCC(C)(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024696743	0	55	0.0	-66.37	432.75	2.33	-64.04
C=CCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024696759	0	52	0.0	-64.18	418.55	1.70	-62.48
C[N@@H+]1CC(C)(C)CC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696766	0	55	0.0	-65.94	432.96	2.40	-63.54
C[NH+](C)CCCCCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696768	0	57	0.0	-69.16	462.37	3.17	-65.99
CCCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024696785	0	54	0.0	-66.05	429.62	2.16	-63.89
C[NH+](C)C(C)(C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696788	0	51	0.0	-66.38	403.20	1.36	-65.02
C[N@@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696811	0	52	0.0	-65.21	405.23	2.21	-63.00
C[N@H+]1CC=C(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024696830	0	53	0.0	-67.02	434.64	2.58	-64.44
C[N@@H+]1CC=C(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024696830	1	53	0.0	-67.02	434.64	2.58	-64.44
O=C(C=CC[NH+]1CCCC1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696860	0	53	0.0	-69.08	436.06	2.52	-66.56
O=C(CC[NH+]1CCCC1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696887	0	52	0.0	-68.09	422.22	1.86	-66.23
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1C[NH+]2CCN1CC2)C1CC1	REAL300024696908	0	52	0.0	-70.71	408.91	-0.75	-71.46
C[N@@H+]1CC2CC1(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300024696912	0	50	0.0	-66.06	405.31	1.86	-64.20
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[N@@H+]1CC2CCC1C2)C1CC1	REAL300024696917	0	53	0.0	-65.02	421.92	2.34	-62.68
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[N@H+]1CC2CCC1C2)C1CC1	REAL300024696917	1	53	0.0	-65.02	421.92	2.34	-62.68
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)CN1CC2C=CC1C2)C1CC1	REAL300024696952	0	51	0.0	-65.27	412.06	2.75	-62.52
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[N@@H+]1CC2C=CC1C2)C1CC1	REAL300024696952	1	51	0.0	-64.50	411.63	2.64	-61.86
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[N@H+]1CC2C=CC1C2)C1CC1	REAL300024696952	1	51	0.0	-64.50	411.63	2.64	-61.86
CC(C[NH+](C)C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696982	0	51	0.0	-67.89	413.91	1.51	-66.38
C[N@@H+]1CCCCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697021	0	55	0.0	-62.22	427.24	2.29	-59.93
C[N@H+]1CCCCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697021	1	55	0.0	-62.22	427.24	2.29	-59.93
CC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)N1CC(C)C1	REAL300024697030	0	52	0.0	-64.69	423.43	2.00	-62.69
CC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CC(C)C1	REAL300024697030	1	52	0.0	-64.69	423.43	2.00	-62.69
CC1CCN1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697032	0	49	0.0	-65.77	406.78	1.36	-64.41
CC1CC[N@@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697032	1	49	0.0	-65.96	406.85	1.33	-64.63
CC1CC[N@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697032	1	49	0.0	-65.96	406.85	1.33	-64.63
C[NH+](C)CC(O)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697034	0	52	0.0	-71.46	428.10	-0.72	-72.18
CC1CN(C)CC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300024697051	0	53	0.0	-74.24	423.94	1.53	-72.71
CC1C[N@H+](C)CC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300024697051	1	53	0.0	-69.92	424.03	1.82	-68.10
CC1C[N@@H+](C)CC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300024697051	1	53	0.0	-69.92	424.03	1.82	-68.10
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024697089	0	52	0.0	-68.05	422.32	2.50	-65.55
CC(CC[NH+](C)C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697093	0	54	0.0	-68.51	435.54	2.13	-66.38
CN1CCN(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024697108	0	54	0.0	-68.27	434.53	-0.24	-68.51
C[NH+]1CCN(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024697108	1	54	0.0	-68.27	434.53	-0.24	-68.51
C[N@@H+]1CCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697278	0	49	0.0	-67.30	392.53	1.34	-65.96
C[N@H+]1CCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697278	1	49	0.0	-66.73	395.54	0.81	-65.92
C[N@@H+]1CCOC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024697304	1	50	0.0	-72.13	398.05	1.01	-71.12
C[N@H+]1CCOC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024697304	1	50	0.0	-74.64	412.90	0.61	-74.03
O=C(CC[NH+]1CCOCC1)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697452	1	53	0.0	-73.00	427.85	0.78	-72.22
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C12CCC[NH+]1CCC2)C1CC1	REAL300024697460	0	53	0.0	-67.08	420.17	2.23	-64.85
C[N@@H+]1CCC(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024697483	0	52	0.0	-69.20	419.37	2.32	-66.88
C[N@H+]1CCC(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024697483	1	52	0.0	-69.62	418.91	2.37	-67.25
CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024697489	0	51	0.0	-67.08	401.98	1.72	-65.36
C[NH+](C)CCCCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697521	0	54	0.0	-69.83	437.95	2.92	-66.91
CC(C)C(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024697534	0	54	0.0	-66.95	417.48	3.04	-63.91
CCC[N@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697535	0	54	0.0	-69.90	437.10	2.20	-67.70
CCC[N@@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697535	1	54	0.0	-70.06	437.10	2.21	-67.85
CCC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697538	0	51	0.0	-69.52	411.82	2.19	-67.33
CCC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697538	1	51	0.0	-68.83	414.74	1.68	-67.15
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C12CC[N@H+](C1)CCC2)C1CC1	REAL300024697551	0	53	0.0	-68.69	417.42	1.45	-67.24
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C12CC[N@@H+](C1)CCC2)C1CC1	REAL300024697551	1	53	0.0	-67.80	417.22	1.48	-66.32
CC1CC[NH+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024697576	0	55	0.0	-69.07	438.46	2.74	-66.33
C[NH+](C)CC1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024697613	0	52	0.0	-67.49	423.50	2.52	-64.97
CC[N@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697630	0	51	0.0	-69.25	415.60	1.45	-67.80
CC[N@@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697630	1	51	0.0	-69.36	415.60	1.46	-67.90
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1C[NH+]2CCC1CC2)C1CC1	REAL300024697642	0	53	0.0	-70.29	413.84	2.59	-67.70
C[NH+]1CCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024697680	0	52	0.0	-70.19	417.15	2.45	-67.74
CC(C)[C@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024697695	0	54	0.0	-66.59	417.57	2.03	-64.56
C[NH+](C)C1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCC1	REAL300024697758	0	52	0.0	-64.72	405.82	2.40	-62.32
CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](CC)CC	REAL300024697785	0	57	0.0	-63.24	437.32	3.04	-60.20
CC1CCC[N@@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697794	0	52	0.0	-66.12	411.08	2.09	-64.03
CC1CCC[N@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697794	1	52	0.0	-66.19	411.29	2.16	-64.03
CC(C)[N@@H+]1CCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697821	0	55	0.0	-64.15	427.06	2.67	-61.48
CC(C)[N@H+]1CCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697821	1	55	0.0	-63.13	433.65	2.28	-60.85
CC(C)[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024697828	0	54	0.0	-66.05	421.72	2.30	-63.75
CC1CC[N@H+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024697838	0	52	0.0	-68.07	421.07	1.99	-66.08
CC1CC[N@@H+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024697838	1	52	0.0	-68.88	417.94	2.54	-66.34
CC1(C)CC[N@H+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024697840	0	55	0.0	-69.04	437.76	3.01	-66.03
CC1(C)CC[N@@H+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024697840	1	55	0.0	-68.15	440.50	2.50	-65.65
C[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)CC(C)(C)C	REAL300024697841	0	57	0.0	-69.00	442.21	3.28	-65.72
C[N@@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)CC(C)(C)C	REAL300024697841	1	57	0.0	-68.19	445.65	2.82	-65.37
CC[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024697848	0	51	0.0	-67.09	401.98	1.72	-65.37
CC1=[NH+]C=CN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697928	1	47	0.0	-65.47	402.02	2.40	-63.07
CC[N@@H+]1CCOC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024697971	1	53	0.0	-70.89	415.56	1.68	-69.21
CC[N@H+]1CCOC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024697971	1	53	0.0	-73.09	430.69	1.25	-71.84
CC1=C[NH+]=CN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024697991	1	47	0.0	-68.77	401.31	3.08	-65.69
C[C@@H]1[C@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024697996	0	52	0.0	-71.51	404.39	1.71	-69.80
C[C@@H]1[C@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024697996	1	52	0.0	-66.88	415.46	1.77	-65.11
CC[C@@H]1[C@@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024697998	0	55	0.0	-69.67	428.33	2.41	-67.26
CC[C@@H]1[C@@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024697998	1	55	0.0	-69.32	430.74	2.66	-66.66
CC1CCC(C)[NH+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698003	0	55	0.0	-65.15	432.52	2.25	-62.90
O=C(CCC[NH+]1CCCC1)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698005	0	55	0.0	-68.53	442.41	3.31	-65.22
O=C(CC[NH+]1CCCCC1)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698009	0	55	0.0	-68.87	439.51	2.68	-66.19
CC[N@@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698012	0	55	0.0	-63.60	435.28	2.49	-61.11
CC[N@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698012	1	55	0.0	-64.68	433.03	2.39	-62.29
C[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024698092	0	52	0.0	-67.37	418.81	2.77	-64.60
C[N@@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024698092	1	52	0.0	-66.90	421.63	2.24	-64.66
C[NH+]1CCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024698116	0	52	0.0	-70.19	417.15	2.45	-67.74
C[N@@H+]1CCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698138	0	49	0.0	-68.03	390.67	0.61	-67.42
C[N@H+]1CCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698138	1	49	0.0	-65.09	401.18	1.20	-63.89
C#CC[N@H+]1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698155	1	51	0.0	-66.55	411.30	2.25	-64.30
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698155	1	51	0.0	-67.30	423.94	3.06	-64.24
C[N@@H+]1CCCC1CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698160	0	55	0.0	-70.78	439.96	3.26	-67.52
C[N@H+]1CCCC1CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698160	1	55	0.0	-68.11	434.51	2.81	-65.30
C[N@@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698223	0	52	0.0	-66.42	408.17	1.68	-64.74
C[N@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698223	1	52	0.0	-65.94	406.04	1.59	-64.35
CC1C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024698272	0	52	0.0	-67.39	415.67	1.38	-66.01
CC1C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024698272	1	52	0.0	-68.17	404.61	1.79	-66.38
CC(C)(C)[N@@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698322	0	55	0.0	-63.96	420.56	2.11	-61.85
CC(C)(C)[N@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698322	1	55	0.0	-65.91	417.90	1.22	-64.69
C[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024698335	0	48	0.0	-68.02	388.77	1.10	-66.92
C=CCC(C)(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024698347	0	55	0.0	-70.51	424.68	3.02	-67.49
O=C(CC[NH+]1CCCC1)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698359	0	52	0.0	-68.79	423.83	1.98	-66.81
C[N@H+](CCO)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698367	1	49	0.0	-68.89	403.59	-2.31	-71.20
C[N@@H+](CCO)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698367	1	49	0.0	-69.23	400.46	-1.79	-71.02
C[N@H+]1CC=C(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024698413	0	53	0.0	-67.68	434.64	2.58	-65.10
C[N@@H+]1CC=C(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024698413	1	53	0.0	-66.71	431.73	3.10	-63.61
C[N@@H+]1CC(O)CC1(C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698431	0	53	0.0	-72.25	419.85	-1.60	-73.85
C[N@H+]1CC(O)CC1(C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698431	1	53	0.0	-72.31	422.30	-1.77	-74.08
CC1C[NH+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024698457	1	49	0.0	-69.73	402.66	1.93	-67.80
CC[N@@H+]1CCCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024698463	0	55	0.0	-66.80	437.75	2.53	-64.27
CC[N@H+]1CCCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024698463	1	55	0.0	-63.78	421.62	3.01	-60.77
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1CCC[N@@H+]1C1CC1)C1CC1	REAL300024698474	0	53	0.0	-66.77	409.22	2.05	-64.72
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1CCC[N@H+]1C1CC1)C1CC1	REAL300024698474	1	53	0.0	-64.52	414.03	3.17	-61.35
O=C(C=CC[NH+]1CCCC1)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698495	0	53	0.0	-70.64	434.88	3.21	-67.43
CC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698532	0	48	0.0	-68.38	393.24	0.93	-67.45
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)CN1CC2C=CC1C2)C1CC1	REAL300024698561	0	51	0.0	-65.79	411.73	2.65	-63.14
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[N@@H+]1CC2C=CC1C2)C1CC1	REAL300024698561	1	51	0.0	-66.84	414.59	2.21	-64.63
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[N@H+]1CC2C=CC1C2)C1CC1	REAL300024698561	1	51	0.0	-66.84	414.59	2.21	-64.63
COCCN(C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698636	0	52	0.0	-68.99	422.71	0.61	-68.38
COCC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698636	1	52	0.0	-68.97	425.85	0.09	-68.88
COCC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698636	1	52	0.0	-68.97	425.85	0.09	-68.88
CC(CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024698639	0	54	0.0	-69.84	425.92	2.51	-67.33
CC[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024698652	0	52	0.0	-66.06	421.87	2.23	-63.83
C[N@@H+]1CC2CC1(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300024698677	0	50	0.0	-64.97	402.18	1.84	-63.13
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[N@@H+]1CC2CCC1C2)C1CC1	REAL300024698684	0	53	0.0	-67.65	419.01	2.88	-64.77
CC(C[NH+](C)C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698697	0	51	0.0	-69.25	410.57	2.03	-67.22
CCN1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698725	0	49	0.0	-68.03	404.23	1.76	-66.27
CC[N@@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698725	1	49	0.0	-66.38	398.80	0.81	-65.57
CC[N@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698725	1	49	0.0	-66.38	398.80	0.81	-65.57
CCC(C)(C)[NH2+]C(C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698731	0	57	0.0	-66.24	436.23	1.41	-64.83
CCCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024698761	0	54	0.0	-68.50	422.44	2.46	-66.04
C[NH+](C)C(C)(C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698765	0	51	0.0	-69.14	397.01	1.96	-67.18
CC(CC[NH+](C)C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698778	0	54	0.0	-69.12	432.20	2.65	-66.47
C[N@@H+]1CC(C)(C)CC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698826	0	55	0.0	-66.19	435.90	1.85	-64.34
C[NH+](C)CCCCCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698828	0	57	0.0	-69.34	459.45	3.69	-65.65
CN1CCN(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024698835	0	54	0.0	-68.78	431.59	0.28	-68.50
C[NH+]1CCN(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024698835	1	54	0.0	-68.78	431.59	0.28	-68.50
CC1CN(C)CC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300024698876	0	53	0.0	-77.17	424.10	1.83	-75.34
CC1C[N@H+](C)CC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300024698876	1	53	0.0	-75.63	431.18	1.86	-73.77
CC1C[N@@H+](C)CC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300024698876	1	53	0.0	-75.63	431.18	1.86	-73.77
C[N@@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698920	0	52	0.0	-65.94	406.04	1.59	-64.35
C[N@@H+]1CCC(=CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024698978	0	50	0.0	-70.76	414.35	1.77	-68.99
C[N@H+]1CCC(=CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024698978	1	50	0.0	-70.76	414.35	1.77	-68.99
O=C(CNC1=CC=[NH+]C=C1)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024698980	0	48	0.0	-67.31	408.30	0.05	-67.26
C[NH+](C)C1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCCC1	REAL300024699030	0	55	0.0	-69.39	417.39	2.97	-66.42
CCC1CN(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024699037	0	52	0.0	-70.21	425.23	2.64	-67.57
CCC1C[NH+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024699037	1	52	0.0	-70.21	425.23	2.64	-67.57
C[N@@H+]1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699046	0	49	0.0	-66.65	395.52	0.80	-65.85
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024699124	0	52	0.0	-67.02	425.22	1.96	-65.06
C[NH+](C)CCC1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024699132	0	55	0.0	-66.92	447.06	3.29	-63.63
C[N@@H+]1CC=CCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699133	0	53	0.0	-63.70	418.76	2.76	-60.94
C[N@H+]1CC=CCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699133	1	53	0.0	-63.70	418.76	2.76	-60.94
C[NH+](C)CCOCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699161	0	52	0.0	-67.62	428.45	1.73	-65.89
[NH2+]=C1SC=CN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699185	0	45	0.0	-64.95	399.66	0.96	-63.99
C[N@@H+]1CCCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024699241	0	52	0.0	-62.92	413.83	2.08	-60.84
C[N@H+]1CCCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024699241	1	52	0.0	-62.92	413.83	2.08	-60.84
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[NH+]1CCCCCC1)C1CC1	REAL300024699242	0	55	0.0	-68.70	426.59	2.31	-66.39
CN1C=C[N+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1	REAL300024699245	0	47	0.0	-66.45	403.81	4.30	-62.15
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)CN1CCC(O)CC1)C1CC1	REAL300024699264	0	53	0.0	-72.96	428.70	-1.22	-74.18
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[NH+]1CCC(O)CC1)C1CC1	REAL300024699264	1	53	0.0	-72.96	428.70	-1.22	-74.18
C[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024699265	0	49	0.0	-66.44	404.90	1.67	-64.77
CC(CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024699283	0	54	0.0	-69.41	429.57	2.79	-66.62
CN1CCOCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699300	0	53	0.0	-67.72	415.70	0.45	-67.27
C[N@@H+]1CCOCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699300	1	53	0.0	-67.26	418.64	-0.07	-67.33
C[N@H+]1CCOCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699300	1	53	0.0	-67.26	418.64	-0.07	-67.33
CC1(O)CC[N@H+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024699361	0	53	0.0	-68.69	431.92	-1.34	-70.03
C[NH+]1CC(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024699382	0	49	0.0	-69.74	404.03	1.60	-68.14
C[N@H+](CCO)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699405	0	52	0.0	-68.70	425.93	-1.77	-70.47
C[N@@H+](CCO)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699405	1	52	0.0	-68.70	425.93	-1.77	-70.47
C[N@@H+]1CCCCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699420	0	55	0.0	-69.26	434.72	2.44	-66.82
C[N@H+]1CCCCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699420	1	55	0.0	-69.26	434.72	2.44	-66.82
CC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)N1CC(C)C1	REAL300024699430	0	52	0.0	-65.85	424.25	1.92	-63.93
CC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CC(C)C1	REAL300024699430	1	52	0.0	-65.85	424.25	1.92	-63.93
CC1CCN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699432	0	49	0.0	-67.04	398.38	1.60	-65.44
CC1CC[N@@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699432	1	49	0.0	-67.15	398.98	1.66	-65.49
CC1CC[N@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699432	1	49	0.0	-67.15	398.98	1.66	-65.49
C[NH+](C)CC=CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699438	0	49	0.0	-72.02	409.80	2.04	-69.98
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[N@H+]1CCCC1CO)C1CC1	REAL300024699477	0	53	0.0	-68.34	425.08	-1.70	-70.04
CC[NH+](CC)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699479	0	51	0.0	-67.90	404.17	1.87	-66.03
CC[NH+](CC)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699516	0	54	0.0	-69.16	426.18	2.42	-66.74
CC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)N1CCC1	REAL300024699566	0	49	0.0	-66.71	400.73	1.84	-64.87
CC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CCC1	REAL300024699566	1	49	0.0	-66.71	400.73	1.84	-64.87
CCC(CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024699571	0	57	0.0	-64.49	449.56	3.46	-61.03
C[NH+](C)CC(C)(C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699576	0	54	0.0	-68.15	420.66	2.46	-65.69
C[N@@H+]1CCCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699605	0	52	0.0	-65.36	413.74	2.36	-63.00
C[NH+](C)CC(O)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699624	0	52	0.0	-72.37	425.17	-0.29	-72.66
C=CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024699644	0	52	0.0	-67.12	416.88	2.36	-64.76
C[NH+]1CCC(C)(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024699655	0	55	0.0	-65.56	429.44	2.84	-62.72
NC(=[NH2+])SCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699676	0	43	0.0	-67.85	384.03	-2.88	-70.73
C[NH+](C)CCC1(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024699699	0	55	0.0	-60.55	453.97	2.88	-57.67
C[N@@H+]1CC=CCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699700	0	53	0.0	-62.72	421.67	2.25	-60.47
C[N@H+]1CC=CCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699700	1	53	0.0	-62.72	421.67	2.25	-60.47
CCC1C[NH+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024699781	1	52	0.0	-67.95	428.17	2.10	-65.85
C[N@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699786	1	49	0.0	-66.04	395.49	0.79	-65.25
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[NH+]1CCCCC1)C1CC1	REAL300024699803	0	52	0.0	-66.59	417.61	2.14	-64.45
CC1C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024699808	0	52	0.0	-66.84	414.81	2.21	-64.63
CC1C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024699808	1	52	0.0	-68.86	409.31	1.80	-67.06
CN1CCOCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699836	0	53	0.0	-65.25	418.63	-0.07	-65.32
C[N@@H+]1CCOCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699836	1	53	0.0	-65.34	418.62	-0.07	-65.41
C[N@H+]1CCOCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024699836	1	53	0.0	-65.25	418.63	-0.07	-65.32
CCOCC(N=[N+]=[N-])C(=O)NCC(NC(=O)CSC1=NC(=O)NN1)C1CC1	REAL300024699843	0	49	0.0	-21.97	427.45	-3.29	-25.26
CN(CC1CCCN(C(=O)C2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024699988	0	55	0.0	-68.78	419.12	3.99	-64.79
CN(CC1CCCN(C(=O)C2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024699988	1	55	0.0	-66.93	422.72	4.19	-62.74
CCC(C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024700088	0	57	0.0	-67.31	425.50	4.22	-63.09
CCC[N@H+](C)CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700093	0	57	0.0	-70.79	440.15	4.83	-65.96
CCC[N@@H+](C)CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700093	1	57	0.0	-71.95	440.35	4.84	-67.11
CN(CC1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700101	0	55	0.0	-67.65	422.58	4.25	-63.40
CN(CC1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700101	1	55	0.0	-69.57	419.63	3.95	-65.62
CC[NH+](CC)CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700106	0	57	0.0	-68.72	436.85	4.78	-63.94
CC[N@H+](C)CCC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700162	0	57	0.0	-72.51	440.97	4.68	-67.83
CC[N@@H+](C)CCC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700162	1	57	0.0	-72.44	440.97	4.68	-67.76
CC[C@@H](C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024700165	0	57	0.0	-70.05	430.72	4.38	-65.67
CN(CC1CCCN(C(=O)C[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700183	0	51	0.0	-71.33	400.87	3.43	-67.90
CC(C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024700187	1	55	0.0	-70.25	419.92	3.96	-66.29
CN(CC1CCCN(C(=O)C[N@H+](C)C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700193	0	55	0.0	-68.33	430.27	4.84	-63.49
CN(CC1CCCN(C(=O)C[N@@H+](C)C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700193	1	55	0.0	-67.72	430.13	4.83	-62.89
CN(CC1CCCN(C(=O)CC2C[NH+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700199	0	55	0.0	-72.48	432.16	4.30	-68.18
C[C@@H](C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024700206	0	54	0.0	-70.05	417.49	3.78	-66.27
CN(CC1CCCN(C(=O)CN=[N+]=[N-])C1)C(=O)CSC1=NC(=O)NN1	REAL300024700209	0	45	0.0	-23.71	377.99	-1.01	-24.72
C[C@@H](C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024700227	0	54	0.0	-70.05	417.49	3.78	-66.27
CN(CC1CCCN(C(=O)C[NH+]2CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700245	1	52	0.0	-70.86	411.22	3.89	-66.97
C[C@H](C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024700256	0	54	0.0	-72.17	417.35	3.75	-68.42
CC1C[NH+](CC(=O)N2CCCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024700262	1	55	0.0	-72.38	432.40	4.49	-67.89
CC[N@H+](C)CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700279	0	54	0.0	-71.90	418.79	4.08	-67.82
CC[N@@H+](C)CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700279	1	54	0.0	-70.36	418.60	4.10	-66.26
CN(CC1CCCN(C(=O)C=CC[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700295	0	55	0.0	-77.55	437.65	4.65	-72.90
CC[N@@H+]1CCC1C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700301	1	55	0.0	-69.66	422.63	4.02	-65.64
CC[N@H+]1CCC1C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700301	1	55	0.0	-69.64	431.29	4.31	-65.33
CN(CC1CCCN(C(=O)C(C)(C)[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700314	0	57	0.0	-69.54	421.95	3.93	-65.61
CN(CC1CCCN(C(=O)C2([NH+](C)C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700336	0	55	0.0	-78.49	423.11	3.99	-74.50
CC(C[NH+](C)C)C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700358	0	57	0.0	-68.03	437.16	4.54	-63.49
CC1CC[N@@H+]1CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700367	1	55	0.0	-70.81	432.41	4.51	-66.30
CC1CC[N@H+]1CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700367	1	55	0.0	-68.38	427.37	4.30	-64.08
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@@H+]1C	REAL300024700476	0	55	0.0	-61.93	420.81	3.97	-57.96
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@H+]1C	REAL300024700476	1	55	0.0	-65.61	420.30	3.92	-61.69
CCC(C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024700547	0	57	0.0	-60.93	429.34	4.32	-56.61
CCC[N@H+](C)CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700551	0	57	0.0	-65.39	440.84	4.84	-60.55
CCC[N@@H+](C)CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700551	1	57	0.0	-62.80	440.27	4.81	-57.99
CC[N@H+](C)CCC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700568	0	57	0.0	-67.38	441.62	4.67	-62.71
CC[N@@H+](C)CCC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700568	1	57	0.0	-65.47	441.14	4.68	-60.79
CC[C@@H](C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024700608	0	57	0.0	-60.37	429.00	4.48	-55.89
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024700654	0	55	0.0	-60.02	425.13	4.27	-55.75
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024700654	1	55	0.0	-66.69	420.63	3.94	-62.75
C[C@@H](C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024700708	0	54	0.0	-65.44	416.77	3.74	-61.70
CC1C[NH+](CC(=O)N(C)CC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024700732	1	55	0.0	-65.19	432.82	4.50	-60.69
CC[N@H+](C)CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700750	0	54	0.0	-62.85	418.77	4.07	-58.78
CC[N@@H+](C)CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700750	1	54	0.0	-62.83	418.72	4.05	-58.78
CC(C[NH+](C)C)C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700780	0	57	0.0	-64.84	434.84	4.56	-60.28
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1([NH+](C)C)CC1	REAL300024700783	0	55	0.0	-62.32	421.68	3.94	-58.38
C[C@H](C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024700787	0	54	0.0	-63.36	417.94	3.74	-59.62
CC[N@@H+]1CCC1C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700790	1	55	0.0	-62.44	424.59	4.05	-58.39
CC[N@H+]1CCC1C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700790	1	55	0.0	-64.73	431.64	4.29	-60.44
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C(C)(C)[NH+](C)C	REAL300024700798	0	57	0.0	-64.21	420.58	4.26	-59.95
CN(CC1CCCN(C(=O)CSC2=NC(=O)NN2)C1)C(=O)CN=[N+]=[N-]	REAL300024700844	0	45	0.0	-23.82	378.66	-0.96	-24.78
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024700857	0	55	0.0	-58.54	416.56	3.92	-54.62
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024700857	1	55	0.0	-64.20	425.61	4.29	-59.91
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+](C)C1CC1	REAL300024700894	0	55	0.0	-60.38	430.41	4.82	-55.56
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+](C)C1CC1	REAL300024700894	1	55	0.0	-61.36	430.45	4.81	-56.55
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1C[NH+](C)C1	REAL300024700922	0	55	0.0	-66.95	432.48	4.27	-62.68
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+](C)C	REAL300024700925	0	51	0.0	-65.83	401.61	3.42	-62.41
C[C@@H](C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024700928	0	54	0.0	-65.44	416.77	3.74	-61.70
CC1CC[N@@H+]1CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700935	1	55	0.0	-63.27	427.89	4.30	-58.97
CC1CC[N@H+]1CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700935	1	55	0.0	-61.52	426.82	4.21	-57.31
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C=CC[NH+](C)C	REAL300024700936	0	55	0.0	-70.23	436.75	4.67	-65.56
CC[NH+](CC)CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024700942	0	57	0.0	-63.44	433.19	4.50	-58.94
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CCC1	REAL300024700943	1	52	0.0	-62.92	411.09	3.81	-59.11
CC(C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024700965	1	55	0.0	-62.09	428.74	4.30	-57.79
CN(CC1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024701033	0	55	0.0	-68.96	419.38	3.96	-65.00
CN(CC1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024701033	1	55	0.0	-67.85	426.08	4.33	-63.52
C[N@@H+]1CCCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701216	0	50	0.0	-68.58	390.33	3.72	-64.86
C[N@H+]1CCCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701216	1	50	0.0	-68.49	389.09	3.69	-64.80
CC1=[NH+]C=CN1CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701379	1	48	0.0	-69.75	397.22	4.58	-65.17
C[C@@H]1[C@H](C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300024701398	0	53	0.0	-76.04	403.98	3.92	-72.12
C[C@@H]1[C@H](C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300024701398	1	53	0.0	-72.93	405.36	4.29	-68.64
C[NH+](C)C1(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CCC1	REAL300024701419	0	53	0.0	-72.92	393.04	3.74	-69.18
CC(C)[C@@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024701421	0	55	0.0	-70.15	408.42	4.37	-65.78
C[N@H+](CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300024701431	0	53	0.0	-71.16	414.92	4.97	-66.19
C[N@@H+](CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300024701431	1	53	0.0	-71.43	415.04	4.99	-66.44
C[NH+]1CCC(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024701457	0	53	0.0	-76.48	406.59	4.28	-72.20
C[N@@H+]1CCCCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701463	0	53	0.0	-72.27	400.81	4.25	-68.02
C[N@H+]1CCCCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701463	1	53	0.0	-67.92	409.40	4.50	-63.42
CC1=C[NH+]=CN1CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701480	1	48	0.0	-71.87	398.57	5.34	-66.53
C[N@@H+]1CCC(CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024701490	0	53	0.0	-74.28	415.66	4.60	-69.68
C[N@H+]1CCC(CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024701490	1	53	0.0	-75.52	415.52	4.62	-70.90
CCC(C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024701493	0	52	0.0	-70.05	398.23	3.98	-66.07
C[NH+](C)CCCCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701507	0	55	0.0	-74.06	434.40	5.16	-68.90
CC(C)C(C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024701511	0	55	0.0	-71.79	410.95	4.19	-67.60
CCC[N@H+](C)CCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701512	0	55	0.0	-74.96	430.47	4.97	-69.99
CCC[N@@H+](C)CCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701512	1	55	0.0	-74.93	430.64	4.96	-69.97
CCC[N@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701513	0	52	0.0	-73.78	408.04	4.40	-69.38
CCC[N@@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701513	1	52	0.0	-73.75	408.04	4.40	-69.35
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701528	0	50	0.0	-72.11	387.02	3.51	-68.60
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701528	1	50	0.0	-68.29	391.00	3.83	-64.46
CC[NH+](CC)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701540	0	52	0.0	-70.89	400.92	4.02	-66.87
C[NH+](C)CC1(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024701594	0	53	0.0	-70.71	415.01	4.45	-66.26
C[NH+]1CCC(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024701618	0	53	0.0	-76.48	406.59	4.28	-72.20
CC(C)[C@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024701633	0	55	0.0	-71.74	409.29	4.27	-67.47
CC[N@H+](C)CCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701661	0	52	0.0	-74.23	409.15	4.23	-70.00
CC[N@@H+](C)CCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701661	1	52	0.0	-74.15	408.97	4.23	-69.92
CC1CCC[N@@H+]1CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701672	0	53	0.0	-68.99	407.51	4.41	-64.58
CC1CCC[N@H+]1CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701672	1	53	0.0	-70.54	414.35	4.78	-65.76
CC1CC[N@H+](CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024701673	0	53	0.0	-72.70	415.20	4.73	-67.97
CC1CC[N@@H+](CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024701673	1	53	0.0	-72.07	414.99	4.74	-67.33
CC[C@@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024701675	0	52	0.0	-70.15	395.83	3.87	-66.28
C[NH+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701712	0	46	0.0	-73.44	369.33	2.93	-70.51
CN1C=C[N+](CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300024701713	0	48	0.0	-69.66	400.05	6.52	-63.14
C[N@@H+]1CCCC(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024701716	0	53	0.0	-73.24	406.53	4.22	-69.02
C[N@H+]1CCCC(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024701716	1	53	0.0	-72.89	406.61	4.21	-68.68
CC(C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300024701724	0	50	0.0	-69.96	387.04	3.44	-66.52
C[NH+](C)CC(C)(C)C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701727	0	55	0.0	-67.74	405.08	4.07	-63.67
C[N@H+](CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024701734	0	50	0.0	-69.66	398.57	4.36	-65.30
C[N@@H+](CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024701734	1	50	0.0	-70.40	398.47	4.41	-65.99
C[NH+]1CC(CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024701745	0	50	0.0	-73.88	399.96	3.75	-70.13
C[C@@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024701757	0	49	0.0	-71.52	383.52	3.28	-68.24
[N-]=[N+]=NCC(=O)N1C2CCC1CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300024701764	0	40	0.0	-22.67	346.30	-1.46	-24.13
C[N@H+](CCO)CCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701796	0	53	0.0	-73.60	419.32	1.01	-72.59
C[N@@H+](CCO)CCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701796	1	53	0.0	-73.64	419.46	1.01	-72.63
C[C@@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024701797	0	49	0.0	-71.52	383.52	3.28	-68.24
C[N@@H+]1CCCC[C@@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701800	0	53	0.0	-70.50	395.06	3.96	-66.54
C[N@H+]1CCCC[C@@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701800	1	53	0.0	-69.58	407.52	4.48	-65.10
O=C(C[NH+]1CCC1)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701827	1	47	0.0	-72.92	379.21	3.47	-69.45
C[N@@H+]1CCC(=CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024701837	0	51	0.0	-75.72	406.38	4.54	-71.18
C[N@H+]1CCC(=CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024701837	1	51	0.0	-75.75	405.37	4.55	-71.20
C[NH+](C)CCOCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701847	0	53	0.0	-71.96	425.21	4.07	-67.89
C[C@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024701858	0	49	0.0	-70.42	386.23	3.34	-67.08
CC1C[NH+](CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024701875	1	50	0.0	-72.79	400.12	4.10	-68.69
C[N@H+](CCO)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701888	1	50	0.0	-73.95	396.90	0.43	-73.52
C[N@@H+](CCO)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701888	1	50	0.0	-73.85	396.69	0.45	-73.40
CC(CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300024701900	0	55	0.0	-74.11	426.35	4.98	-69.13
CC[N@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701902	0	49	0.0	-73.33	386.56	3.66	-69.67
CC[N@@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701902	1	49	0.0	-73.28	386.55	3.67	-69.61
CC[N@H+](CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024701912	0	53	0.0	-68.74	417.46	5.02	-63.72
CC[N@@H+](CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024701912	1	53	0.0	-71.19	410.39	4.90	-66.29
CC[NH+](CC)CCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701918	0	55	0.0	-73.59	422.93	4.60	-68.99
CC1(C)C[NH+](CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024701926	1	53	0.0	-72.89	419.94	4.56	-68.33
C[NH+](C)CC=CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701933	0	50	0.0	-76.45	403.49	4.18	-72.27
COCC[N@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701942	1	53	0.0	-73.65	418.94	2.85	-70.80
COCC[N@@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701942	1	53	0.0	-74.21	419.15	2.83	-71.38
CC(CCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024701951	0	55	0.0	-75.42	422.38	4.75	-70.67
CC[N@@H+]1CCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701955	1	50	0.0	-72.69	400.07	3.92	-68.77
CC[N@H+]1CCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701955	1	50	0.0	-70.09	392.05	3.54	-66.55
C=CCC(C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024701980	0	53	0.0	-68.52	407.53	4.30	-64.22
O=C(C[NH+]1CC2CC2C1)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701988	0	51	0.0	-73.51	404.29	4.88	-68.63
CCCC(C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024701994	0	55	0.0	-70.88	421.52	4.81	-66.07
C[NH+](C)C(C)(C)C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024701996	0	52	0.0	-70.39	386.13	3.29	-67.10
C[N@@H+]1CCCCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024702006	0	53	0.0	-72.27	400.81	4.25	-68.02
C[N@H+]1CCCCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024702006	1	53	0.0	-67.92	409.40	4.50	-63.42
C[NH+](C)C1(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024702043	0	50	0.0	-73.57	387.01	3.59	-69.98
O=C(CC[NH+]1CCCC1)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024702044	0	53	0.0	-73.79	416.91	4.75	-69.04
C[N@@H+]1CC2CC1(C(=O)N1C3CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300024702054	0	51	0.0	-71.03	394.22	4.09	-66.94
C[N@H+]1CC2CC1(C(=O)N1C3CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300024702054	1	51	0.0	-73.03	396.56	4.07	-68.96
CC(C[NH+](C)C)C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024702090	0	52	0.0	-73.65	400.45	3.85	-69.80
CC(C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300024702113	0	53	0.0	-69.39	411.12	4.15	-65.24
CC1CC[N@@H+]1CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024702114	1	50	0.0	-72.06	400.11	4.11	-67.95
CC1CC[N@H+]1CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024702114	1	50	0.0	-72.16	400.15	4.06	-68.10
C[NH+](C)CC(O)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024702116	0	53	0.0	-77.21	421.53	2.06	-75.15
C[NH+](C)[C@H]1C[C@H](C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024702146	0	53	0.0	-72.75	416.59	4.67	-68.08
CC(CC[NH+](C)C)C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024702147	0	55	0.0	-73.66	429.13	4.73	-68.93
C[N@@H+]1CCCC1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702317	0	50	0.0	-71.84	394.36	3.89	-67.95
C[N@H+]1CCCC1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702317	1	50	0.0	-70.31	387.54	3.52	-66.79
C[N@@H+]1CCOC(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024702343	1	51	0.0	-80.75	402.48	3.26	-77.49
C[N@H+]1CCOC(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024702343	1	51	0.0	-77.86	390.90	2.93	-74.93
C[N@@H+]1CCC(CC(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024702493	0	53	0.0	-74.92	415.64	4.58	-70.34
C[N@H+]1CCC(CC(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024702493	1	53	0.0	-75.78	415.57	4.62	-71.16
CCC(C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024702496	0	52	0.0	-69.86	393.87	3.82	-66.04
C[NH+](C)CCCCC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702506	0	55	0.0	-75.24	434.42	5.15	-70.09
CC(C)C(C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024702511	0	55	0.0	-72.13	405.04	4.33	-67.80
CCC[N@H+](C)CCC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702512	0	55	0.0	-76.47	430.47	4.97	-71.50
CCC[N@@H+](C)CCC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702512	1	55	0.0	-76.36	430.47	4.96	-71.40
CCC[N@H+](C)CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702513	0	52	0.0	-75.32	408.52	4.39	-70.93
CCC[N@@H+](C)CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702513	1	52	0.0	-75.19	408.10	4.38	-70.81
C[NH+](C)CC1(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024702552	0	53	0.0	-75.35	414.22	4.47	-70.88
CC[N@H+](C)CCC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702558	0	52	0.0	-76.37	408.91	4.25	-72.12
CC[N@@H+](C)CCC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702558	1	52	0.0	-75.57	408.97	4.22	-71.35
C[NH+]1CCC(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024702582	0	53	0.0	-77.49	410.05	4.42	-73.07
CC(C)[C@H](C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024702597	0	55	0.0	-68.21	408.87	4.32	-63.89
C[NH+](C)C1(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024702621	0	53	0.0	-70.70	392.05	3.72	-66.98
CC1CCC[N@@H+]1CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702646	0	53	0.0	-72.32	414.21	4.78	-67.54
CC1CCC[N@H+]1CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702646	1	53	0.0	-71.45	414.22	4.74	-66.71
CC(C)[C@@H](C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024702657	0	55	0.0	-72.67	411.20	4.62	-68.05
CC1CC[N@H+](CC(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024702665	0	53	0.0	-74.32	414.89	4.70	-69.62
CC1CC[N@@H+](CC(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024702665	1	53	0.0	-73.42	415.08	4.69	-68.73
CC[C@@H](C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024702667	0	52	0.0	-70.93	395.76	3.85	-67.08
CC1=[NH+]C=CN1CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702706	1	48	0.0	-70.53	397.65	4.54	-65.99
CC1=C[NH+]=CN1CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702724	1	48	0.0	-74.38	398.57	5.31	-69.07
C[C@@H]1[C@H](C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024702725	0	53	0.0	-74.74	398.63	3.76	-70.98
C[C@@H]1[C@H](C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024702725	1	53	0.0	-75.30	410.94	4.23	-71.07
C[N@H+](CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024702757	0	53	0.0	-72.40	414.98	4.94	-67.46
C[N@@H+](CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024702757	1	53	0.0	-73.44	415.50	4.95	-68.49
C[NH+]1CCC(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024702764	0	53	0.0	-77.49	410.05	4.42	-73.07
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702777	0	50	0.0	-74.67	386.30	3.48	-71.19
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702777	1	50	0.0	-70.21	390.59	3.73	-66.48
C[N@@H+]1CCCCC1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702820	0	53	0.0	-72.34	398.11	4.08	-68.26
C[N@H+]1CCCCC1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702820	1	53	0.0	-73.08	397.94	4.01	-69.07
CC1C(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024702849	0	53	0.0	-72.27	409.47	4.12	-68.15
CC1C(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024702849	1	53	0.0	-71.32	406.74	4.03	-67.29
C[C@@H](C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024702890	0	49	0.0	-72.21	385.73	3.36	-68.85
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)CC[NH+]1CCCC1)C2	REAL300024702908	0	53	0.0	-75.98	417.58	4.74	-71.24
C[N@H+](CCO)CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702913	1	50	0.0	-75.99	397.01	0.40	-75.59
C[N@@H+](CCO)CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702913	1	50	0.0	-74.70	397.09	0.42	-74.28
CC1C[NH+](CC(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024702959	1	50	0.0	-74.37	400.17	4.05	-70.32
CC[N@H+](C)CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702993	0	49	0.0	-74.98	386.99	3.62	-71.36
CC[N@@H+](C)CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024702993	1	49	0.0	-74.81	386.66	3.64	-71.17
COCC[N@H+](C)CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703046	1	53	0.0	-74.37	419.40	2.81	-71.56
COCC[N@@H+](C)CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703046	1	53	0.0	-76.25	419.26	2.81	-73.44
CC(CCC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024703048	0	55	0.0	-74.30	426.49	4.74	-69.56
CC[N@H+](CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024703053	0	53	0.0	-70.75	412.35	4.86	-65.89
CC[N@@H+](CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024703053	1	53	0.0	-73.42	410.39	4.87	-68.55
C[N@@H+]1CC2CC1(C(=O)N1CC3CCC(C1)N3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024703066	0	51	0.0	-71.70	392.31	3.63	-68.07
C[N@H+]1CC2CC1(C(=O)N1CC3CCC(C1)N3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024703066	1	51	0.0	-70.83	393.22	3.92	-66.91
CC(C[NH+](C)C)C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703075	0	52	0.0	-75.29	402.89	3.93	-71.36
C[NH+](C)C1(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024703081	0	50	0.0	-71.08	386.72	3.40	-67.68
C[C@H](C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024703091	0	49	0.0	-70.24	380.68	3.15	-67.09
CC[N@@H+]1CCC1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703094	1	50	0.0	-73.78	397.58	3.80	-69.98
CC[N@H+]1CCC1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703094	1	50	0.0	-71.75	391.86	3.61	-68.14
NC1=CC=[NH+]C=C1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703109	0	46	0.0	-70.92	379.37	0.91	-70.01
CCCC(C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024703113	0	55	0.0	-70.35	416.90	4.66	-65.69
C[NH+](C)C(C)(C)C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703116	0	52	0.0	-70.55	385.90	3.70	-66.85
CC(CC[NH+](C)C)C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703125	0	55	0.0	-74.87	426.35	4.63	-70.24
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C[NH+]1CC3CC3C1)C2	REAL300024703185	0	51	0.0	-75.03	404.28	4.85	-70.18
C[N@@H+]1CCCCC1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703195	0	53	0.0	-72.34	398.11	4.08	-68.26
C[N@H+]1CCCCC1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703195	1	53	0.0	-73.08	397.94	4.01	-69.07
C[N@@H+]1CCC(=CC(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024703223	0	51	0.0	-76.96	406.68	4.51	-72.45
C[N@H+]1CCC(=CC(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024703223	1	51	0.0	-77.00	405.93	4.56	-72.44
[N-]=[N+]=NCC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NC(=O)NN1	REAL300024703230	0	40	0.0	-24.30	346.01	-1.45	-25.75
CCC1C[NH+](CC(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024703246	1	53	0.0	-75.09	421.33	4.77	-70.32
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703251	0	50	0.0	-71.60	394.80	3.92	-67.68
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703251	1	50	0.0	-73.53	385.88	3.44	-70.09
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024703294	0	53	0.0	-76.24	412.59	4.54	-71.70
C[NH+](C)CCOCC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703311	0	53	0.0	-72.62	425.14	4.09	-68.53
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C[NH+]1CCCCC1)C2	REAL300024703345	0	53	0.0	-74.53	410.56	4.83	-69.70
C[N@@H+]1CCCC(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024703346	0	53	0.0	-67.13	402.87	4.48	-62.65
C[N@H+]1CCCC(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024703346	1	53	0.0	-76.10	412.27	4.45	-71.65
CN1C=C[N+](CC(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024703347	0	48	0.0	-72.75	400.16	6.49	-66.26
C[N@H+](CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024703357	0	50	0.0	-71.67	398.11	4.37	-67.30
C[N@@H+](CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024703357	1	50	0.0	-72.69	398.23	4.38	-68.31
CC(CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024703365	0	55	0.0	-76.06	426.11	5.04	-71.02
C[NH+]1CC(CC(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024703415	0	50	0.0	-76.40	400.33	3.83	-72.57
C[NH+](C)CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703422	0	46	0.0	-75.75	369.21	2.96	-72.79
C[N@H+](CCO)CCC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703432	0	53	0.0	-74.80	419.32	1.01	-73.79
C[N@@H+](CCO)CCC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703432	1	53	0.0	-75.95	419.22	1.02	-74.93
C[C@@H](C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024703433	0	49	0.0	-72.21	385.73	3.36	-68.85
CC(C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024703447	0	53	0.0	-72.83	417.75	4.48	-68.35
CC1CC[N@@H+]1CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703448	1	50	0.0	-73.26	400.13	4.04	-69.22
CC1CC[N@H+]1CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703448	1	50	0.0	-72.57	395.14	3.85	-68.72
C[NH+](C)CC=CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703450	0	50	0.0	-76.21	403.75	4.19	-72.02
CC1(C)C[NH+](CC(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024703454	1	53	0.0	-74.47	419.64	4.58	-69.89
CC[NH+](CC)CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703470	0	52	0.0	-72.70	405.20	4.31	-68.39
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C[NH+]1CCC1)C2	REAL300024703475	1	47	0.0	-74.10	379.15	3.39	-70.71
CC[NH+](CC)CCC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703495	0	55	0.0	-75.64	422.80	4.67	-70.97
CC(C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024703524	1	50	0.0	-71.62	395.92	3.82	-67.80
C[NH+](C)CC(C)(C)C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703528	0	55	0.0	-66.74	404.55	4.10	-62.64
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703549	0	53	0.0	-72.55	398.00	4.05	-68.50
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703549	1	53	0.0	-68.99	404.51	4.36	-64.63
C[NH+](C)CC(O)CC(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024703559	0	53	0.0	-79.31	421.87	2.03	-77.28
C=CCC(C(=O)N1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024703571	0	53	0.0	-70.38	410.51	4.35	-66.03
NC(=[NH2+])SCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024703594	0	44	0.0	-74.28	377.25	-0.05	-74.33
CCC1C[NH+](CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024703654	0	53	0.0	-74.53	421.47	4.86	-69.67
C[N@@H+]1CCC[C@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024703658	0	50	0.0	-69.82	389.18	3.76	-66.06
C[N@H+]1CCC[C@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024703658	1	50	0.0	-71.93	387.00	3.53	-68.40
O=C(C[NH+]1CCCCC1)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024703665	0	53	0.0	-72.38	410.59	4.85	-67.53
CC1C(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300024703669	0	53	0.0	-74.39	405.72	4.21	-70.18
CC1C(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300024703669	1	53	0.0	-72.05	410.72	4.35	-67.70
CN(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[NH+](C)C	REAL300024703744	1	52	0.0	-75.15	420.87	2.20	-72.95
CN(CC(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)CC1)C(=O)CN=[N+]=[N-]	REAL300024703748	0	46	0.0	-29.34	397.82	-2.20	-31.54
CN(CC(=O)N1CCN(C(=O)CN=[N+]=[N-])CC1)C(=O)CSC1=NC(=O)NN1	REAL300024703794	0	46	0.0	-31.91	397.80	-2.23	-34.14
CN(CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024703800	0	52	0.0	-84.92	421.12	2.18	-82.74
C[N@@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024703966	0	46	0.0	-69.50	372.62	0.60	-68.90
C[N@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024703966	1	46	0.0	-70.60	371.46	0.58	-70.02
C[N@@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024703990	1	47	0.0	-81.96	385.73	0.35	-81.61
C[N@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024703990	1	47	0.0	-74.05	378.70	0.18	-73.87
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024704146	0	55	0.0	-67.31	420.53	2.39	-64.92
CC(C)[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704148	0	55	0.0	-66.52	416.69	2.33	-64.19
CC(C)[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704148	1	55	0.0	-64.57	424.87	2.52	-62.05
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704168	0	52	0.0	-67.81	403.87	2.35	-65.46
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704168	1	52	0.0	-69.14	403.68	2.29	-66.85
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024704184	0	53	0.0	-70.46	417.80	2.63	-67.83
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024704184	1	53	0.0	-73.15	417.16	2.63	-70.52
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704202	1	50	0.0	-66.80	418.55	2.82	-63.98
CC1=[NH+]C=CN1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704227	1	44	0.0	-68.01	383.48	1.73	-66.28
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704228	0	53	0.0	-74.73	425.29	0.72	-74.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300024704243	0	55	0.0	-73.39	438.30	3.35	-70.04
CC(C)(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024704257	0	55	0.0	-68.31	411.78	2.87	-65.44
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024704265	0	50	0.0	-78.81	390.78	1.66	-77.15
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024704300	0	53	0.0	-65.91	418.17	2.80	-63.11
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024704300	1	53	0.0	-67.26	406.29	2.19	-65.07
C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024704310	0	49	0.0	-74.30	390.17	1.39	-72.91
C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024704310	1	49	0.0	-74.35	395.32	1.30	-73.05
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024704314	0	52	0.0	-73.28	409.86	1.67	-71.61
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024704314	1	52	0.0	-71.56	409.46	2.10	-69.46
CC[N@@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024704323	1	50	0.0	-79.99	403.54	1.01	-78.98
CC[N@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024704323	1	50	0.0	-80.35	404.19	1.02	-79.33
CC[NH+](CC)CC(F)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704362	0	51	0.0	-72.78	409.64	1.69	-71.09
CC1CCC(C)[NH+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704421	0	52	0.0	-67.43	409.52	1.95	-65.48
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024704427	0	52	0.0	-73.03	422.79	2.62	-70.41
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024704431	0	51	0.0	-77.78	422.63	2.82	-74.96
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024704432	0	52	0.0	-72.98	417.98	2.57	-70.41
CC[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704436	0	52	0.0	-68.36	404.13	2.02	-66.34
CC[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704436	1	52	0.0	-66.70	411.00	2.25	-64.45
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024704448	0	55	0.0	-72.50	434.72	2.91	-69.59
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024704448	1	55	0.0	-72.60	434.73	2.88	-69.72
C[NH+](C)C1(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024704451	0	49	0.0	-74.26	384.66	1.23	-73.03
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704453	0	55	0.0	-65.38	424.08	2.22	-63.16
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704453	1	55	0.0	-65.20	423.50	2.22	-62.98
CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024704464	0	51	0.0	-70.53	396.10	1.82	-68.71
C[N@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024704501	0	49	0.0	-69.26	400.14	2.11	-67.15
C[N@@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024704501	1	49	0.0	-69.97	398.92	2.07	-67.90
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024704545	0	55	0.0	-66.37	411.74	1.89	-64.48
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704596	1	48	0.0	-68.77	399.36	1.80	-66.97
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704596	1	48	0.0	-69.52	402.85	2.20	-67.32
C[N@@H+]1CCCC1CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704601	0	52	0.0	-71.67	414.81	2.15	-69.52
C[N@H+]1CCCC1CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704601	1	52	0.0	-72.01	415.90	2.17	-69.84
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024704608	0	53	0.0	-79.67	398.82	1.75	-77.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024704611	0	53	0.0	-67.63	412.26	2.54	-65.09
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024704611	1	53	0.0	-66.54	418.76	2.90	-63.64
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300024704626	0	55	0.0	-73.44	444.12	3.44	-70.00
C[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024704637	0	49	0.0	-76.77	397.46	1.62	-75.15
C[NH+](C)CC1=CC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024704666	1	48	0.0	-82.39	409.18	1.22	-81.17
C[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704690	0	49	0.0	-71.01	385.53	1.35	-69.66
C[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704690	1	49	0.0	-69.66	381.60	1.17	-68.49
CC(C)C[N@@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704709	0	55	0.0	-68.33	434.50	3.08	-65.25
CC(C)C[N@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704709	1	55	0.0	-68.92	424.55	3.33	-65.59
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024704794	0	44	0.0	-67.48	377.72	3.17	-64.31
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704800	1	50	0.0	-69.84	423.90	3.02	-66.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024704804	1	50	0.0	-76.26	408.16	0.12	-76.14
CC1=C[NH+]=CN1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704829	1	44	0.0	-71.38	383.81	2.46	-68.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024704861	0	50	0.0	-66.51	390.29	1.49	-65.02
C[NH+](C)C1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024704881	0	55	0.0	-67.71	421.61	2.56	-65.15
C[N@@H+]1CCC(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024704883	0	49	0.0	-75.37	400.55	1.73	-73.64
C[N@H+]1CCC(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024704883	1	49	0.0	-74.22	401.24	1.74	-72.48
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704894	0	48	0.0	-67.21	398.64	0.39	-66.82
CCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024704899	0	48	0.0	-68.88	380.50	0.95	-67.93
C[NH+](C)C1(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024704909	0	55	0.0	-74.75	416.72	2.55	-72.20
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024704943	1	44	0.0	-69.37	378.01	3.18	-66.19
C[NH+](C)CCCCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024704988	0	51	0.0	-74.77	418.16	2.25	-72.52
CC(C)C(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024705006	0	51	0.0	-70.62	397.88	1.87	-68.75
CCC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705008	0	51	0.0	-74.63	414.39	2.07	-72.56
CCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705008	1	51	0.0	-74.59	414.39	2.07	-72.52
CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705013	0	48	0.0	-71.77	392.12	1.51	-70.26
CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705013	1	48	0.0	-71.75	393.21	1.53	-70.22
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024705033	0	50	0.0	-73.77	386.27	0.99	-72.78
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024705033	1	50	0.0	-73.01	386.23	0.92	-72.09
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705065	0	46	0.0	-69.56	372.61	0.60	-68.96
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705065	1	46	0.0	-68.59	374.24	0.90	-67.69
CCCCCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705112	0	57	0.0	-73.17	456.62	3.85	-69.32
CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705112	1	57	0.0	-73.14	457.71	3.88	-69.26
CC[NH+](CC)C(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024705115	0	57	0.0	-66.55	428.47	2.94	-63.61
CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705123	0	48	0.0	-70.20	384.38	1.16	-69.04
CCC[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705154	0	55	0.0	-65.86	426.09	3.01	-62.85
CCC[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705154	1	55	0.0	-71.42	426.55	2.87	-68.55
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705168	1	53	0.0	-72.23	413.64	1.34	-70.89
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705168	1	53	0.0	-77.80	420.86	1.55	-76.25
CC1CC[NH+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024705195	0	52	0.0	-72.21	415.38	2.56	-69.65
C[NH+]1CCC(OCC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024705218	0	53	0.0	-78.13	432.80	2.25	-75.88
C[NH+](C)CC1(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024705228	0	49	0.0	-70.54	401.03	1.69	-68.85
CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024705291	0	55	0.0	-73.88	428.12	2.58	-71.30
C[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024705307	0	49	0.0	-76.77	397.46	1.62	-75.15
CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024705325	0	51	0.0	-70.15	397.12	1.68	-68.47
CCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024705355	0	54	0.0	-65.31	415.72	2.30	-63.01
CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705405	0	48	0.0	-73.72	394.08	1.36	-72.36
CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705405	1	48	0.0	-73.82	392.89	1.33	-72.49
CC1CCC[N@@H+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705454	0	49	0.0	-68.43	391.49	1.47	-66.96
CC1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705454	1	49	0.0	-68.80	399.30	1.89	-66.91
CC1CC[N@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705456	0	49	0.0	-70.70	399.36	1.79	-68.91
CC1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705456	1	49	0.0	-71.19	398.17	1.84	-69.35
CC1(C)CC[N@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705460	0	52	0.0	-70.69	419.54	2.34	-68.35
CC1(C)CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705460	1	52	0.0	-70.63	418.93	2.36	-68.27
C[N@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024705461	0	54	0.0	-71.33	423.61	2.62	-68.71
C[N@@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024705461	1	54	0.0	-71.40	423.03	2.66	-68.74
CC[C@@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024705469	0	48	0.0	-69.09	381.66	1.01	-68.08
C[NH+]1CCC(O)(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024705611	0	53	0.0	-73.89	423.71	0.47	-73.42
C[NH+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705622	0	42	0.0	-72.47	352.80	0.09	-72.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300024705626	0	53	0.0	-73.54	426.23	-0.74	-74.28
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024705627	0	52	0.0	-71.13	403.76	2.14	-68.99
CN1C=C[N+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024705631	0	44	0.0	-69.57	384.12	3.60	-65.97
C[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705637	0	49	0.0	-72.89	398.40	1.62	-71.27
C[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705637	1	49	0.0	-65.72	387.84	1.71	-64.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024705642	0	50	0.0	-69.62	404.14	2.04	-67.58
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024705642	1	50	0.0	-66.79	402.45	2.31	-64.48
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024705666	0	46	0.0	-69.30	376.57	0.87	-68.43
CCC(CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024705670	0	54	0.0	-74.38	424.03	2.60	-71.78
C[NH+](C)CC(C)(C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705677	0	51	0.0	-72.36	393.50	1.24	-71.12
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024705692	0	51	0.0	-69.36	409.23	3.11	-66.25
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024705692	1	51	0.0	-70.01	404.01	3.26	-66.75
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024705700	1	50	0.0	-76.49	405.63	-1.39	-77.88
C[N@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024705701	0	46	0.0	-68.48	383.31	1.53	-66.95
C[N@@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024705701	1	46	0.0	-69.13	383.51	1.52	-67.61
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024705702	1	54	0.0	-74.05	429.59	0.01	-74.04
C[NH+]1CC(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705720	0	46	0.0	-73.58	384.09	0.94	-72.64
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024705724	0	53	0.0	-71.42	426.48	3.05	-68.37
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024705724	1	53	0.0	-69.82	417.43	2.49	-67.33
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705732	0	52	0.0	-68.08	415.46	1.81	-66.27
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705732	1	52	0.0	-68.47	415.52	1.83	-66.64
C[C@@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024705743	0	45	0.0	-70.16	370.79	0.45	-69.71
[N-]=[N+]=NCC(=O)N1CC[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024705750	0	36	0.0	-26.64	330.01	-4.29	-30.93
CCC1CCC[N@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705775	0	55	0.0	-71.78	427.94	3.19	-68.59
CCC1CCC[N@@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705775	1	55	0.0	-71.56	435.09	3.21	-68.35
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024705782	0	50	0.0	-70.26	415.37	1.42	-68.84
[NH2+]=C1SC=CN1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705824	0	42	0.0	-67.65	379.95	0.27	-67.38
C[N@H+](CCO)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705834	0	49	0.0	-73.49	403.25	-1.88	-75.37
C[N@@H+](CCO)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705834	1	49	0.0	-73.28	403.23	-1.90	-75.18
C[C@@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024705835	0	45	0.0	-70.16	370.79	0.45	-69.71
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705839	0	49	0.0	-71.13	385.19	1.36	-69.77
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705839	1	49	0.0	-67.72	394.37	1.65	-66.07
CC1CN2CC[N@@H+]1CC2C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705847	0	52	0.0	-76.61	401.25	-1.32	-77.93
CC1CN2CC[N@H+]1CC2C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705847	1	52	0.0	-77.04	400.19	-1.35	-78.39
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024705909	1	43	0.0	-71.92	364.34	0.60	-71.32
C[N@@H+]1CCC(=CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705934	0	47	0.0	-79.93	392.22	1.63	-78.30
C[N@H+]1CCC(=CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024705934	1	47	0.0	-79.91	391.27	1.65	-78.26
C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705965	0	49	0.0	-75.39	409.92	1.23	-74.16
CCCCC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705970	0	57	0.0	-75.46	458.58	3.66	-71.80
CCCCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705970	1	57	0.0	-75.66	457.39	3.64	-72.02
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024705979	0	53	0.0	-74.03	427.87	2.21	-71.82
C=CCC(C)(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024705986	0	52	0.0	-71.99	395.44	2.09	-69.90
C[S+](C)CCC(O)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024705990	0	48	0.0	-76.14	413.71	-0.44	-76.58
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706015	0	50	0.0	-76.56	390.68	-2.58	-79.14
CN1CC[N@H+](C)CC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706025	0	54	0.0	-69.93	418.79	-0.14	-70.07
CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706025	1	54	0.0	-69.93	418.79	-0.14	-70.07
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024706026	0	53	0.0	-69.77	420.89	-0.89	-70.66
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706043	0	53	0.0	-67.18	424.30	0.52	-66.66
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706043	1	53	0.0	-67.18	424.30	0.52	-66.66
CC1CN(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706046	0	46	0.0	-71.95	385.28	1.24	-70.71
CC1C[NH+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706046	1	46	0.0	-71.95	385.28	1.24	-70.71
CN(CCO)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706069	0	46	0.0	-72.58	382.06	-2.44	-75.02
C[N@H+](CCO)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706069	1	46	0.0	-72.07	380.76	-2.47	-74.54
C[N@@H+](CCO)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706069	1	46	0.0	-72.07	380.76	-2.47	-74.54
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024706090	0	52	0.0	-79.60	402.10	-0.15	-79.75
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024706090	1	52	0.0	-79.60	402.10	-0.15	-79.75
CC[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706095	0	52	0.0	-65.92	405.11	2.39	-63.53
CC[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706095	1	52	0.0	-65.92	405.11	2.39	-63.53
CC(CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024706097	0	51	0.0	-76.49	410.02	2.10	-74.39
CC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706104	0	45	0.0	-71.30	371.77	0.80	-70.50
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024706123	0	53	0.0	-66.72	401.43	2.06	-64.66
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024706123	1	53	0.0	-66.72	401.43	2.06	-64.66
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024706128	0	51	0.0	-66.04	393.65	1.71	-64.33
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024706128	1	51	0.0	-66.04	393.65	1.71	-64.33
CC[N@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024706147	0	49	0.0	-68.61	400.09	2.13	-66.48
CC[NH+](CC)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706160	0	51	0.0	-72.86	410.75	2.04	-70.82
C[NH+]1CCC(=CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024706171	0	50	0.0	-76.31	406.92	2.37	-73.94
CC1(C)C[NH+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706180	1	49	0.0	-71.86	403.28	1.66	-70.20
CC1(O)CC[N@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706204	0	50	0.0	-70.75	409.96	-1.47	-72.22
CC1(O)CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706204	1	50	0.0	-72.17	409.25	-1.51	-73.68
C[NH+](C)CC=CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706211	0	46	0.0	-81.13	388.15	1.30	-79.83
CC(OCC[NH+](C)C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706229	0	52	0.0	-72.45	423.43	1.63	-70.82
C[NH+](C)CCOCCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706236	0	52	0.0	-72.38	429.62	0.91	-71.47
COCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706237	1	49	0.0	-71.82	403.02	-0.07	-71.89
COCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706237	1	49	0.0	-72.78	404.31	-0.04	-72.82
C[NH+](C)C1(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024706264	0	52	0.0	-72.73	397.07	2.08	-70.65
CC(CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024706267	0	51	0.0	-72.24	410.15	1.87	-70.37
CC[N@@H+]1CCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706273	1	46	0.0	-71.31	383.98	1.03	-70.28
CC[N@H+]1CCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706273	1	46	0.0	-70.89	383.52	1.05	-69.84
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706281	0	55	0.0	-66.28	422.19	2.81	-63.47
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706281	1	55	0.0	-67.45	422.70	2.69	-64.76
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024706292	0	50	0.0	-70.79	402.50	-1.86	-72.65
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300024706292	1	50	0.0	-70.91	406.00	-1.31	-72.22
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024706314	0	53	0.0	-70.46	417.80	2.63	-67.83
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024706314	1	53	0.0	-73.15	417.16	2.63	-70.52
C[NH+]1CCC(C)(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024706320	0	52	0.0	-70.38	400.54	1.62	-68.76
C[NH+](C)CC1=CNC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024706326	0	50	0.0	-81.86	414.97	1.55	-80.31
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024706340	0	53	0.0	-72.73	421.88	-1.10	-73.83
C=CCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024706346	0	49	0.0	-68.24	395.82	1.57	-66.67
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706356	0	52	0.0	-68.08	415.47	2.09	-65.99
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706356	1	52	0.0	-68.19	415.61	2.13	-66.06
C[NH+](C)CCCCCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706359	0	54	0.0	-73.90	439.66	3.03	-70.87
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024706367	0	47	0.0	-71.64	389.34	2.01	-69.63
CC1C[N@@H+]2CCN1C(C(=O)N1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024706392	0	52	0.0	-78.08	401.96	-1.18	-79.26
CC1C[N@H+]2CCN1C(C(=O)N1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024706392	1	52	0.0	-78.74	401.57	-1.18	-79.92
CCCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024706393	0	51	0.0	-70.20	404.15	1.89	-68.31
C[NH+](C)C(C)(C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706397	0	48	0.0	-72.40	370.93	1.11	-71.29
C[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706431	0	49	0.0	-71.01	385.53	1.35	-69.66
C[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706431	1	49	0.0	-69.66	381.60	1.17	-68.49
C[N@H+]1CC=C(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024706463	0	50	0.0	-71.56	413.18	2.47	-69.09
C[N@@H+]1CC=C(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024706463	1	50	0.0	-69.81	411.99	2.44	-67.37
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300024706471	0	53	0.0	-69.17	420.10	2.88	-66.29
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024706510	1	49	0.0	-84.61	414.65	1.97	-82.64
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024706524	0	50	0.0	-80.02	413.12	2.42	-77.60
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024706543	0	53	0.0	-73.75	422.33	2.89	-70.86
C[NH+](C)C1(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024706561	0	46	0.0	-72.96	375.71	0.54	-72.42
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024706563	0	49	0.0	-73.48	400.11	1.77	-71.71
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300024706596	0	49	0.0	-78.09	386.18	-1.74	-79.83
C[N@@H+]1CC2CC1(C(=O)N1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024706605	0	47	0.0	-73.52	380.55	1.31	-72.21
C[N@H+]1CC2CC1(C(=O)N1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024706605	1	47	0.0	-73.30	375.24	1.29	-72.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024706616	0	50	0.0	-68.78	396.92	1.96	-66.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024706616	1	50	0.0	-69.36	400.99	2.21	-67.15
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300024706653	0	51	0.0	-70.42	408.58	2.50	-67.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024706663	1	48	0.0	-69.85	392.20	2.05	-67.80
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024706663	1	48	0.0	-68.12	393.50	2.03	-66.09
CC[NH+]1CCN(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024706691	0	54	0.0	-72.07	431.08	0.30	-71.77
CC(C[NH+](C)C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706705	0	48	0.0	-73.69	390.20	1.17	-72.52
C[N@@H+]1CCCCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706768	0	52	0.0	-65.73	404.54	2.18	-63.55
C[N@H+]1CCCCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706768	1	52	0.0	-74.57	412.41	2.33	-72.24
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024706782	0	49	0.0	-68.82	401.51	1.66	-67.16
CC1CC[N@@H+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706785	1	46	0.0	-70.72	384.12	1.17	-69.55
CC1CC[N@H+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706785	1	46	0.0	-69.43	379.89	0.91	-68.52
C[NH+](C)CC(O)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706788	0	49	0.0	-77.09	405.49	-0.84	-77.93
CC1C[N@H+](C)CC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024706812	1	50	0.0	-82.47	407.08	1.13	-81.34
CC1C[N@@H+](C)CC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024706812	1	50	0.0	-76.30	400.14	0.94	-75.36
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300024706820	0	53	0.0	-76.91	428.62	-0.81	-77.72
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706822	0	55	0.0	-68.70	425.75	2.75	-65.95
CCC[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706822	1	55	0.0	-70.36	425.83	2.76	-67.60
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024706882	0	49	0.0	-73.05	402.03	1.81	-71.24
CC(CC[NH+](C)C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706889	0	51	0.0	-73.55	414.57	1.87	-71.68
C[N@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024706907	0	53	0.0	-67.07	424.59	-0.50	-67.57
C[N@@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024706907	1	53	0.0	-70.33	423.88	-0.71	-71.04
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706912	1	51	0.0	-69.02	406.78	2.35	-66.67
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024706912	1	51	0.0	-68.12	418.63	2.83	-65.29
C[NH+]1CCN(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024706915	1	51	0.0	-72.27	411.90	-0.43	-72.70
CC[NH+]1CCN(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024706923	0	54	0.0	-72.07	431.08	0.30	-71.77
C[N@@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707093	0	46	0.0	-72.83	374.05	0.69	-72.14
C[N@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707093	1	46	0.0	-73.86	373.06	0.70	-73.16
C[N@@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024707119	1	47	0.0	-80.01	383.36	0.45	-79.56
C[N@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024707119	1	47	0.0	-88.00	391.48	0.60	-87.40
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707276	1	50	0.0	-72.38	425.09	3.06	-69.32
O=C(CC[NH+]1CCOCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707280	1	50	0.0	-79.42	409.38	0.15	-79.27
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024707300	0	50	0.0	-76.27	398.59	2.15	-74.12
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024707308	1	44	0.0	-80.82	384.55	3.65	-77.17
C[NH+](C)C1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024707356	0	55	0.0	-72.47	431.88	3.00	-69.47
C[N@@H+]1CCC(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024707358	0	49	0.0	-76.78	399.56	1.74	-75.04
C[N@H+]1CCC(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024707358	1	49	0.0	-75.20	399.37	1.77	-73.43
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707369	0	48	0.0	-83.75	404.83	0.94	-82.81
CCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024707374	0	48	0.0	-72.01	384.39	1.17	-70.84
C[NH+](C)CCCCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707426	0	51	0.0	-77.35	419.33	2.31	-75.04
CC(C)C(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024707446	0	51	0.0	-69.97	402.69	2.21	-67.76
CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707448	0	51	0.0	-77.29	415.71	2.11	-75.18
CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707448	1	51	0.0	-77.25	415.71	2.09	-75.16
CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707453	0	48	0.0	-73.41	392.28	1.58	-71.83
CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707453	1	48	0.0	-73.52	392.28	1.59	-71.93
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024707473	0	50	0.0	-83.28	395.32	1.49	-81.79
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024707473	1	50	0.0	-81.49	394.27	1.51	-79.98
CCCCCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707496	0	57	0.0	-74.66	456.78	3.92	-70.74
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707496	1	57	0.0	-74.74	456.78	3.92	-70.82
CC[NH+](CC)C(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024707499	0	57	0.0	-68.82	433.97	3.26	-65.56
CC1CC[NH+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024707528	0	52	0.0	-73.81	415.66	2.64	-71.17
C[NH+]1CCC(OCC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024707551	0	53	0.0	-81.63	434.06	2.24	-79.39
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024707590	0	53	0.0	-75.09	421.65	2.90	-72.19
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024707590	1	53	0.0	-74.03	420.58	2.87	-71.16
C[NH+](C)CC1(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024707599	0	49	0.0	-70.67	406.61	1.93	-68.74
CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024707609	0	55	0.0	-73.98	428.39	2.76	-71.22
CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707625	0	48	0.0	-76.48	394.21	1.37	-75.11
CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707625	1	48	0.0	-76.44	394.21	1.35	-75.09
CC(C)(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024707646	0	55	0.0	-74.00	422.68	3.14	-70.86
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024707654	0	50	0.0	-80.94	394.36	1.95	-78.99
C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024707717	0	49	0.0	-78.99	398.67	1.81	-77.18
CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024707735	0	51	0.0	-69.93	402.62	2.21	-67.72
CC[NH+](CC)CC(F)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707818	0	51	0.0	-76.28	411.24	1.77	-74.51
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024707846	0	55	0.0	-72.16	437.60	3.13	-69.03
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024707846	1	55	0.0	-73.74	437.75	3.08	-70.66
C[NH+](C)C1(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024707849	0	49	0.0	-69.58	387.44	1.78	-67.80
CCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024707879	0	54	0.0	-66.69	419.17	2.46	-64.23
CC1CCC[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707896	0	49	0.0	-71.79	400.18	1.80	-69.99
CC1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707896	1	49	0.0	-71.47	392.85	1.52	-69.95
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024707944	0	55	0.0	-70.83	424.18	2.56	-68.27
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707946	0	55	0.0	-67.56	420.08	2.73	-64.83
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707946	1	55	0.0	-66.58	426.27	2.67	-63.91
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707966	0	52	0.0	-72.01	402.18	2.16	-69.85
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707966	1	52	0.0	-68.48	412.03	2.26	-66.22
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707972	0	55	0.0	-68.77	424.94	2.29	-66.48
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024707972	1	55	0.0	-73.46	433.56	2.79	-70.67
CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024707983	0	51	0.0	-72.85	402.25	2.35	-70.50
CC1CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024708001	0	49	0.0	-72.54	398.38	1.85	-70.69
CC1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024708001	1	49	0.0	-74.45	399.35	1.92	-72.53
CC1(C)CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024708005	0	52	0.0	-74.23	419.05	2.40	-71.83
CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024708005	1	52	0.0	-74.64	419.72	2.40	-72.24
C[N@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024708006	0	54	0.0	-73.02	422.68	2.66	-70.36
C[N@@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024708006	1	54	0.0	-73.35	422.83	2.72	-70.63
CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024708014	0	48	0.0	-72.49	384.45	1.17	-71.32
CC1=[NH+]C=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708184	1	44	0.0	-69.61	381.55	1.73	-67.88
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708185	0	53	0.0	-75.49	424.44	0.87	-74.62
O=C(CCC[NH+]1CCCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708200	0	55	0.0	-75.91	439.61	3.39	-72.52
C[NH+](C)CC1=CC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024708212	1	48	0.0	-81.30	413.22	1.18	-80.12
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708241	1	50	0.0	-68.44	418.70	2.91	-65.53
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024708269	0	53	0.0	-70.81	410.06	2.72	-68.09
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024708269	1	53	0.0	-69.21	409.71	2.74	-66.47
CC[N@@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024708283	1	50	0.0	-80.80	408.27	1.26	-79.54
CC[N@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024708283	1	50	0.0	-75.36	402.02	1.10	-74.26
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024708323	0	44	0.0	-75.61	384.14	3.67	-71.94
CC1=C[NH+]=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708328	1	44	0.0	-73.37	382.82	2.50	-70.87
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024708337	0	49	0.0	-77.36	391.64	1.35	-76.01
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024708337	1	49	0.0	-76.54	395.91	1.41	-75.13
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024708341	0	52	0.0	-75.63	409.60	1.84	-73.79
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024708341	1	52	0.0	-74.92	414.98	2.38	-72.54
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708352	0	52	0.0	-73.22	401.75	1.76	-71.46
O=C(CCC[NH+]1CCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708358	0	52	0.0	-75.52	423.94	2.68	-72.84
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024708363	0	51	0.0	-80.43	423.71	3.04	-77.39
O=C(CC[NH+]1CCCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708364	0	52	0.0	-74.26	417.11	2.58	-71.68
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708369	0	52	0.0	-71.21	413.75	2.42	-68.79
CC[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708369	1	52	0.0	-71.72	404.46	2.23	-69.49
C[NH+](C)C1(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024708402	0	55	0.0	-78.31	417.98	2.57	-75.74
C[N@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024708523	0	49	0.0	-71.03	399.27	2.15	-68.88
C[N@@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024708523	1	49	0.0	-71.67	399.28	2.16	-69.51
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024708540	0	55	0.0	-67.34	423.10	2.34	-65.00
O=C(CCCC[NH+]1CCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708552	0	55	0.0	-76.20	445.44	3.46	-72.74
C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024708563	0	49	0.0	-78.99	398.67	1.81	-77.18
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708598	0	46	0.0	-72.88	374.03	0.71	-72.17
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708598	1	46	0.0	-71.30	379.06	1.23	-70.07
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708619	1	48	0.0	-72.00	399.67	1.92	-70.08
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708619	1	48	0.0	-73.22	406.48	2.44	-70.78
C[N@@H+]1CCCC1CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708624	0	52	0.0	-73.72	415.82	2.19	-71.53
C[N@H+]1CCCC1CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708624	1	52	0.0	-78.05	417.69	2.51	-75.54
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024708631	0	53	0.0	-74.78	411.49	2.34	-72.44
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024708634	0	53	0.0	-72.34	414.89	2.61	-69.73
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024708634	1	53	0.0	-68.37	420.90	3.10	-65.27
CCC[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024708696	0	55	0.0	-74.20	437.84	3.17	-71.03
CCC[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024708696	1	55	0.0	-67.86	430.55	3.38	-64.48
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024708710	1	53	0.0	-78.23	418.92	1.59	-76.64
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024708710	1	53	0.0	-81.23	425.00	1.78	-79.45
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708731	0	49	0.0	-71.02	395.04	1.76	-69.26
C[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708731	1	49	0.0	-68.75	395.01	1.76	-66.99
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708751	0	55	0.0	-73.12	418.13	2.99	-70.13
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708751	1	55	0.0	-73.95	428.36	3.40	-70.55
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708764	1	53	0.0	-75.07	426.48	-0.67	-75.74
CC1C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024708805	0	49	0.0	-73.21	394.25	1.39	-71.82
CC1C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024708805	1	49	0.0	-70.97	394.24	1.37	-69.60
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708807	0	55	0.0	-74.05	435.18	3.07	-70.98
C[N@H+]1CCCCC1CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708807	1	55	0.0	-72.21	434.14	3.06	-69.15
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708885	0	52	0.0	-71.49	415.57	1.85	-69.64
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708885	1	52	0.0	-71.34	399.92	1.27	-70.07
C[C@@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024708903	0	45	0.0	-72.54	371.16	0.56	-71.98
C=CCC(C)(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024708917	0	52	0.0	-67.09	408.38	2.23	-64.86
O=C(CC[NH+]1CCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708937	0	49	0.0	-76.16	401.42	1.80	-74.36
C[N@H+](CCO)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708947	1	46	0.0	-74.55	381.23	-2.42	-76.97
C[N@@H+](CCO)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024708947	1	46	0.0	-73.37	380.92	-2.40	-75.77
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024708980	0	52	0.0	-84.16	399.92	-0.06	-84.22
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024708980	1	52	0.0	-80.08	399.97	-0.06	-80.14
C[N@H+]1CC=C(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024709026	0	50	0.0	-72.44	412.25	2.49	-69.95
C[N@@H+]1CC=C(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024709026	1	50	0.0	-71.24	413.24	2.48	-68.76
C[S+](C)CCC(O)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709040	0	48	0.0	-75.73	417.89	-0.20	-75.93
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709058	0	50	0.0	-79.39	402.53	-1.77	-81.16
C[N@H+]1CC(O)CC1(C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709058	1	50	0.0	-81.62	400.86	-1.43	-83.05
CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024709068	0	54	0.0	-72.59	424.61	0.29	-72.30
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024709068	1	54	0.0	-71.83	425.24	-0.08	-71.91
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024709069	0	53	0.0	-73.75	423.09	-0.75	-74.50
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300024709069	1	53	0.0	-72.08	422.95	-0.72	-72.80
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024709097	0	53	0.0	-72.22	420.50	0.61	-71.61
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024709097	1	53	0.0	-73.06	410.87	0.39	-72.67
CC1C[NH+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024709101	1	46	0.0	-73.57	384.35	1.25	-72.32
CC[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024709107	0	52	0.0	-71.93	415.31	2.44	-69.49
CC[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024709107	1	52	0.0	-67.55	409.04	2.63	-64.92
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024709123	0	50	0.0	-69.88	411.55	2.67	-67.21
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024709123	1	50	0.0	-69.77	406.41	2.55	-67.22
O=C(C=CC[NH+]1CCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709158	0	50	0.0	-76.81	415.35	2.58	-74.23
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024709176	0	53	0.0	-76.43	423.52	3.02	-73.41
CC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709214	0	45	0.0	-73.08	370.78	0.84	-72.24
O=C(CN1CC2C=CC1C2)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709259	0	48	0.0	-69.39	392.20	2.01	-67.38
O=C(C[N@@H+]1CC2C=CC1C2)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709259	1	48	0.0	-71.58	392.13	2.14	-69.44
O=C(C[N@H+]1CC2C=CC1C2)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709259	1	48	0.0	-71.58	392.13	2.14	-69.44
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024709365	0	53	0.0	-68.39	408.11	2.75	-65.64
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024709365	1	53	0.0	-68.39	408.11	2.75	-65.64
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024709371	0	51	0.0	-73.62	399.72	2.66	-70.96
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024709371	1	51	0.0	-73.62	399.72	2.66	-70.96
CC(OCC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709380	0	52	0.0	-70.27	428.78	1.90	-68.37
C[NH+](C)CCOCCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709388	0	52	0.0	-75.77	430.80	0.96	-74.81
COCCN(C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709390	0	49	0.0	-73.05	403.17	0.00	-73.05
COCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709390	1	49	0.0	-74.66	403.39	-0.00	-74.66
COCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709390	1	49	0.0	-74.66	403.39	-0.00	-74.66
CC(CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024709395	0	51	0.0	-74.42	411.46	1.90	-72.52
CC[N@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024709417	0	49	0.0	-70.54	399.10	2.19	-68.35
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024709432	0	52	0.0	-73.16	393.89	-0.61	-73.77
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024709454	0	47	0.0	-78.74	384.03	1.54	-77.20
O=C(C[N@@H+]1CC2CCC1C2)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709467	0	50	0.0	-70.95	397.22	2.08	-68.87
O=C(C[N@H+]1CC2CCC1C2)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709467	1	50	0.0	-70.95	397.22	2.08	-68.87
CC(C[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709486	0	48	0.0	-69.87	390.73	1.56	-68.31
CCN1CCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709530	0	46	0.0	-74.26	385.72	1.15	-73.11
CC[N@@H+]1CCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709530	1	46	0.0	-72.35	384.70	1.18	-71.17
CC[N@H+]1CCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709530	1	46	0.0	-72.35	384.70	1.18	-71.17
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024709540	0	55	0.0	-71.29	431.99	2.95	-68.34
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024709540	1	55	0.0	-71.29	431.99	2.95	-68.34
CCC(C)(C)[NH2+]C(C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709552	0	54	0.0	-72.38	418.39	0.72	-71.66
C#CCN1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709591	0	51	0.0	-71.70	410.99	2.78	-68.92
C#CC[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709591	1	51	0.0	-71.72	411.98	2.76	-68.96
C#CC[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709591	1	51	0.0	-71.72	411.98	2.76	-68.96
CCCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024709602	0	51	0.0	-72.11	406.14	1.90	-70.21
C[NH+](C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709609	0	48	0.0	-74.93	380.52	1.31	-73.62
CC(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709627	0	51	0.0	-75.94	414.02	2.07	-73.87
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024709684	0	51	0.0	-73.75	407.47	3.15	-70.60
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709713	0	52	0.0	-73.55	413.43	1.77	-71.78
C[NH+](C)CCCCCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709716	0	54	0.0	-76.74	440.97	3.06	-73.68
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709720	0	53	0.0	-79.22	429.22	-0.78	-80.00
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709724	0	55	0.0	-70.32	435.24	3.17	-67.15
CCC[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709724	1	55	0.0	-70.32	435.24	3.17	-67.15
CN1CCN(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024709733	0	51	0.0	-75.14	413.13	-0.35	-75.49
C[NH+]1CCN(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024709733	1	51	0.0	-75.14	413.13	-0.35	-75.49
CC1CN(C)CC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024709815	0	50	0.0	-88.78	412.67	1.33	-87.45
CC1C[N@H+](C)CC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024709815	1	50	0.0	-81.49	404.91	1.32	-80.17
CC1C[N@@H+](C)CC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024709815	1	50	0.0	-81.49	404.91	1.32	-80.17
CCC1CCC[N@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024709844	0	55	0.0	-72.95	427.53	2.83	-70.12
CCC1CCC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024709844	1	55	0.0	-72.95	427.53	2.83	-70.12
O=C(CC1([NH+]2CCCC2)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709876	0	53	0.0	-70.29	418.16	2.90	-67.39
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709909	0	49	0.0	-68.75	395.01	1.76	-66.99
C[N@@H+]1CCC(=CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024710008	0	47	0.0	-78.05	392.01	1.72	-76.33
C[N@H+]1CCC(=CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024710008	1	47	0.0	-78.05	392.01	1.72	-76.33
O=C(CNC1=CC=[NH+]C=C1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710013	0	45	0.0	-73.22	388.77	-0.56	-73.78
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710067	0	51	0.0	-69.43	409.56	2.56	-66.87
C[NH+](C)C1(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024710100	0	52	0.0	-78.29	404.56	2.34	-75.95
C[N@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024710108	0	53	0.0	-71.18	423.89	-0.46	-71.64
CCC1CN(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024710111	0	49	0.0	-75.90	406.75	2.00	-73.90
CCC1C[NH+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024710111	1	49	0.0	-75.90	406.75	2.00	-73.90
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024710114	0	53	0.0	-75.82	414.39	2.81	-73.01
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710126	0	46	0.0	-75.27	374.15	0.68	-74.59
CC[N@H+]1CCOCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710148	1	53	0.0	-74.16	416.82	0.47	-73.69
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024710252	0	49	0.0	-72.38	402.80	1.88	-70.50
C[NH+](C)C1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024710263	0	55	0.0	-73.14	426.27	2.86	-70.28
C[NH+](C)CCC1(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024710264	0	52	0.0	-80.93	429.77	2.70	-78.23
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024710265	0	55	0.0	-73.14	426.41	2.83	-70.31
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710266	0	50	0.0	-75.98	404.27	2.22	-73.76
C[N@H+]1CC=CCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710266	1	50	0.0	-67.23	400.20	2.17	-65.06
C[NH+](C)CCOCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710318	0	49	0.0	-74.23	409.99	1.20	-73.03
CCCCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710323	0	57	0.0	-78.29	458.70	3.67	-74.62
CCCCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710323	1	57	0.0	-78.26	458.70	3.65	-74.61
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024710334	0	53	0.0	-74.45	432.00	2.08	-72.37
[NH2+]=C1SC=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710357	0	42	0.0	-70.22	380.13	0.35	-69.87
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710422	0	52	0.0	-71.47	429.70	1.91	-69.56
O=C(CC[NH+]1CCCCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710453	0	55	0.0	-76.44	427.14	2.78	-73.66
C[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024710458	0	49	0.0	-68.66	392.28	1.99	-66.67
C[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024710458	1	49	0.0	-68.66	392.28	1.99	-66.67
O=C(CN1CCC(CO)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710459	0	53	0.0	-75.07	426.48	-0.67	-75.74
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710459	1	53	0.0	-75.07	426.48	-0.67	-75.74
O=C(C[NH+]1CCCCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710460	0	52	0.0	-72.47	404.13	2.22	-70.25
CN1C=C[N+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024710465	0	44	0.0	-71.63	384.30	3.67	-67.96
CN(C)CC1=CC=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024710480	0	49	0.0	-79.37	416.54	1.87	-77.50
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024710480	1	49	0.0	-79.37	416.54	1.87	-77.50
O=C(CN1CCC(O)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710495	0	50	0.0	-77.38	405.89	-1.32	-78.70
O=C(C[NH+]1CCC(O)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710495	1	50	0.0	-77.38	405.89	-1.32	-78.70
C[N@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024710499	0	46	0.0	-71.23	382.47	1.57	-69.66
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CCN(C)CC1	REAL300024710501	0	54	0.0	-73.38	426.40	-0.02	-73.40
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024710501	1	54	0.0	-73.38	426.40	-0.02	-73.40
O=C(CC[N@H+]1CCC(F)C1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710503	0	49	0.0	-80.60	408.01	1.93	-78.67
COC1C[N@H+](C)C(C)(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024710512	0	53	0.0	-76.30	422.82	0.80	-75.50
CC(CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024710528	0	51	0.0	-76.33	411.30	2.15	-74.18
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024710540	0	51	0.0	-73.02	409.22	0.46	-72.56
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024710540	1	51	0.0	-73.02	409.22	0.46	-72.56
CN1CCOCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710557	0	50	0.0	-81.40	404.75	-0.04	-81.44
C[N@@H+]1CCOCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710557	1	50	0.0	-69.52	397.09	-0.16	-69.68
C[N@H+]1CCOCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710557	1	50	0.0	-69.52	397.09	-0.16	-69.68
CC1(O)CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024710654	0	50	0.0	-73.68	409.97	-1.42	-75.10
C[NH+]1CC(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024710686	0	46	0.0	-76.25	385.40	0.97	-75.28
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024710690	0	53	0.0	-72.14	418.50	2.61	-69.53
C[N@H+](CCO)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710724	0	49	0.0	-75.95	404.51	-1.86	-77.81
C[N@@H+](CCO)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710724	1	49	0.0	-75.95	404.51	-1.86	-77.81
C[N@@H+]1CCCCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710742	0	52	0.0	-66.50	405.71	2.23	-64.27
C[N@H+]1CCCCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710742	1	52	0.0	-66.50	405.71	2.23	-64.27
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300024710759	0	49	0.0	-71.81	402.88	1.87	-69.94
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024710759	1	49	0.0	-71.81	402.88	1.87	-69.94
CC1CCN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710763	0	46	0.0	-71.89	384.35	1.23	-70.66
CC1CC[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710763	1	46	0.0	-72.35	384.37	1.27	-71.08
CC1CC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710763	1	46	0.0	-72.35	384.37	1.27	-71.08
C[NH+](C)CC=CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710774	0	46	0.0	-79.65	391.34	1.39	-78.26
CC1=C(C)NC(CCC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024710800	0	50	0.0	-68.94	424.27	1.49	-67.45
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024710800	1	50	0.0	-68.94	424.27	1.49	-67.45
C[NH+](C)CCSCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710817	0	49	0.0	-81.10	421.01	2.08	-79.02
O=C(C[N@H+]1CCCC1CO)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710840	0	50	0.0	-74.02	408.85	-1.28	-75.30
CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710844	0	48	0.0	-73.37	385.70	1.23	-72.14
O=C(CN1CCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710855	0	43	0.0	-73.38	363.16	0.59	-72.79
O=C(C[NH+]1CCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710855	1	43	0.0	-73.38	363.16	0.59	-72.79
CC[NH+](CC)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710895	0	51	0.0	-75.87	407.71	1.79	-74.08
C[NH+](C)CC1=CNC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024710952	0	50	0.0	-80.41	420.43	1.49	-78.92
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024710973	0	51	0.0	-71.89	411.38	0.52	-71.37
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024710973	1	51	0.0	-71.89	411.38	0.52	-71.37
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300024710984	0	46	0.0	-72.49	384.30	1.12	-71.37
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024710984	1	46	0.0	-72.49	384.30	1.12	-71.37
CCC(CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024710989	0	54	0.0	-74.97	424.56	2.64	-72.33
C[NH+](C)CC(C)(C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024710997	0	51	0.0	-73.26	402.89	1.89	-71.37
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711049	0	49	0.0	-70.47	396.05	1.75	-68.72
CC1CN2CC[N@@H+]1CC2C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711063	0	52	0.0	-77.16	406.86	-0.87	-78.03
C[NH+](C)CC(O)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711083	0	49	0.0	-79.86	406.81	-0.86	-80.72
C[NH+]1C2CCC1CC(C(=O)N[C@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024711085	0	53	0.0	-72.65	413.06	2.40	-70.25
C=CCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024711115	0	49	0.0	-71.41	397.82	1.66	-69.75
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024711122	0	53	0.0	-74.03	420.58	2.87	-71.16
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024711122	1	53	0.0	-74.03	420.58	2.87	-71.16
C[NH+]1CCC(C)(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024711133	0	52	0.0	-69.06	410.31	2.23	-66.83
C[NH+]1CCC(O)(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024711135	0	53	0.0	-75.64	424.65	0.45	-75.19
NC(=[NH2+])SCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711159	0	40	0.0	-77.95	362.57	-2.96	-80.91
CC[N@@H+]1CCOCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711186	0	53	0.0	-73.05	417.75	0.44	-72.61
C[NH+](C)C1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024711199	0	55	0.0	-76.66	427.27	2.62	-74.04
C[NH+](C)CCC1(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024711200	0	52	0.0	-74.52	423.64	2.49	-72.03
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024711201	0	55	0.0	-69.68	421.87	2.56	-67.12
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711202	0	50	0.0	-75.12	405.27	2.18	-72.94
C[N@H+]1CC=CCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711202	1	50	0.0	-75.12	405.27	2.18	-72.94
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711223	0	52	0.0	-70.54	424.97	1.69	-68.85
C[NH+]1C2CCC1CC(C(=O)N1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024711247	0	53	0.0	-71.26	387.96	1.97	-69.29
CCC1C[NH+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024711339	0	49	0.0	-72.62	406.29	1.95	-70.67
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024711341	0	53	0.0	-70.37	406.70	2.42	-67.95
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711348	0	46	0.0	-68.77	376.32	0.95	-67.82
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711348	1	46	0.0	-71.20	372.63	0.58	-70.62
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300024711355	1	49	0.0	-77.86	407.57	1.93	-75.93
COC1C[N@@H+](C)C(C)(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024711363	1	53	0.0	-68.95	415.08	-0.18	-69.13
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300024711370	0	55	0.0	-75.07	427.99	2.78	-72.29
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024711372	0	49	0.0	-71.14	395.69	1.98	-69.16
CC1C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024711381	0	49	0.0	-73.93	390.30	1.36	-72.57
CC1C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024711381	1	49	0.0	-70.50	398.89	1.49	-69.01
C[N@@H+]1CCCCC1CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711383	0	55	0.0	-71.29	433.96	3.05	-68.24
C[N@H+]1CCCCC1CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711383	1	55	0.0	-71.04	435.35	3.07	-67.97
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024711405	0	51	0.0	-75.87	410.01	0.24	-75.63
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024711405	1	51	0.0	-76.20	408.71	0.28	-75.92
CN1CCOCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711422	0	50	0.0	-78.19	403.80	-0.05	-78.24
C[N@@H+]1CCOCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711422	1	50	0.0	-77.70	404.71	-0.05	-77.75
C[N@H+]1CCOCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711422	1	50	0.0	-78.19	403.80	-0.05	-78.24
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024711429	1	50	0.0	-67.63	423.03	1.41	-66.22
CCOCC(N=[N+]=[N-])C(=O)N1CC[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024711433	0	46	0.0	-22.77	402.18	-3.56	-26.33
C[NH+](C)CCSCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711503	0	49	0.0	-82.43	420.94	2.08	-80.35
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024711509	0	51	0.0	-73.94	409.03	0.28	-73.66
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024711509	1	51	0.0	-71.22	409.42	0.32	-70.90
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711670	1	46	0.0	-72.07	376.94	-0.29	-72.36
CN1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024711694	0	47	0.0	-80.23	394.32	-0.37	-80.60
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024711694	1	47	0.0	-76.00	387.21	-0.56	-76.56
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024711694	1	47	0.0	-80.23	394.32	-0.37	-80.60
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024711850	0	55	0.0	-66.21	428.10	1.95	-64.26
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711852	0	55	0.0	-64.91	423.95	1.74	-63.17
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711852	1	55	0.0	-64.97	423.94	1.74	-63.23
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711872	0	52	0.0	-68.74	415.83	1.30	-67.44
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711872	1	52	0.0	-68.79	416.05	1.29	-67.50
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024711888	0	53	0.0	-66.88	424.26	1.91	-64.97
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024711888	1	53	0.0	-69.60	424.36	1.88	-67.72
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711906	1	50	0.0	-65.82	422.76	1.91	-63.91
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711931	1	44	0.0	-69.75	386.34	0.78	-68.97
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711932	0	53	0.0	-68.45	427.66	0.04	-68.41
O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024711947	0	55	0.0	-74.45	442.45	2.40	-72.05
CC(C)(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024711961	0	55	0.0	-72.97	426.29	2.14	-70.83
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024711969	0	50	0.0	-80.24	398.20	0.96	-79.28
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024712004	0	53	0.0	-63.19	421.36	2.01	-61.18
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024712004	1	53	0.0	-69.35	413.18	1.72	-67.63
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024712014	0	49	0.0	-76.86	393.51	0.15	-76.71
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024712014	1	49	0.0	-76.39	399.78	0.42	-75.97
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024712018	0	52	0.0	-75.23	413.66	0.88	-74.35
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024712018	1	52	0.0	-74.68	418.82	1.21	-73.47
CCN1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024712027	0	50	0.0	-74.01	405.01	0.11	-73.90
CC[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024712027	1	50	0.0	-74.16	405.02	0.10	-74.06
CC[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024712027	1	50	0.0	-74.01	405.01	0.11	-73.90
CC[NH+](CC)CC(F)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712066	0	51	0.0	-70.69	414.09	0.80	-69.89
CC1CCC(C)[NH+]1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712125	0	52	0.0	-69.56	413.85	1.06	-68.50
O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712131	0	52	0.0	-71.25	425.81	1.65	-69.60
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024712135	0	51	0.0	-75.10	426.69	2.03	-73.07
O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712136	0	52	0.0	-70.99	420.94	1.60	-69.39
CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712140	0	52	0.0	-70.00	407.28	1.25	-68.75
CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712140	1	52	0.0	-66.37	416.73	1.42	-64.95
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024712152	0	55	0.0	-73.24	441.38	2.15	-71.09
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024712152	1	55	0.0	-73.39	441.25	2.15	-71.24
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024712155	0	49	0.0	-68.92	391.04	0.66	-68.26
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712157	0	55	0.0	-63.01	425.93	1.24	-61.77
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712157	1	55	0.0	-62.97	427.40	1.27	-61.70
CC(C)[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024712168	0	51	0.0	-70.80	403.23	1.65	-69.15
C[N@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024712205	0	49	0.0	-71.38	403.03	1.15	-70.23
C[N@@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024712205	1	49	0.0	-67.99	403.23	1.16	-66.83
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024712249	0	55	0.0	-68.59	418.82	1.14	-67.45
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712300	1	48	0.0	-66.48	403.61	0.95	-65.53
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712300	1	48	0.0	-71.01	409.45	1.38	-69.63
C[N@@H+]1CCCC1CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712305	0	52	0.0	-70.16	418.81	1.20	-68.96
C[N@H+]1CCCC1CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712305	1	52	0.0	-72.69	418.95	1.21	-71.48
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024712312	0	53	0.0	-83.29	412.95	1.47	-81.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024712315	0	53	0.0	-68.06	424.86	2.14	-65.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024712315	1	53	0.0	-68.48	424.73	2.10	-66.38
O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712330	0	55	0.0	-74.81	447.26	2.42	-72.39
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024712341	0	49	0.0	-72.99	401.52	0.84	-72.15
C[NH+](C)CC1=CC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024712370	1	48	0.0	-78.91	415.04	0.15	-78.76
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712394	0	49	0.0	-65.85	398.88	0.77	-65.08
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712394	1	49	0.0	-67.63	398.97	0.79	-66.84
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712413	0	55	0.0	-71.15	435.87	1.81	-69.34
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712413	1	55	0.0	-66.88	423.65	2.08	-64.80
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024712498	0	44	0.0	-71.64	387.10	2.70	-68.94
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712504	1	50	0.0	-71.32	427.94	2.08	-69.24
O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712508	1	50	0.0	-77.73	412.21	-0.82	-78.55
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712533	1	44	0.0	-69.15	385.66	1.47	-67.68
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024712565	0	50	0.0	-70.21	401.65	1.18	-69.03
C[NH+](C)C1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024712585	0	55	0.0	-67.51	429.23	1.84	-65.67
C[N@@H+]1CCC(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024712587	0	49	0.0	-75.48	403.75	0.75	-74.73
C[N@H+]1CCC(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024712587	1	49	0.0	-75.27	403.63	0.77	-74.50
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712598	0	48	0.0	-81.62	407.66	-0.02	-81.64
CCC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024712603	0	48	0.0	-68.14	387.35	0.19	-67.95
C[NH+](C)C1(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024712613	0	55	0.0	-72.45	420.80	1.60	-70.85
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024712647	1	44	0.0	-79.24	387.38	2.68	-76.56
C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712692	0	51	0.0	-76.03	422.30	1.32	-74.71
CC(C)C(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024712710	0	51	0.0	-71.08	406.36	1.38	-69.70
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712712	0	51	0.0	-75.74	418.53	1.12	-74.62
CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712712	1	51	0.0	-72.21	418.56	1.13	-71.08
CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712717	0	48	0.0	-73.48	396.20	0.59	-72.89
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712717	1	48	0.0	-73.49	396.17	0.59	-72.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024712737	0	50	0.0	-80.18	399.07	0.41	-79.77
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024712737	1	50	0.0	-71.72	398.55	0.40	-71.32
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712769	0	46	0.0	-70.06	377.01	-0.27	-70.33
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712769	1	46	0.0	-67.39	383.22	0.24	-67.15
CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712816	0	57	0.0	-74.88	460.67	2.93	-71.95
CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712816	1	57	0.0	-71.32	460.66	2.93	-68.39
CC[NH+](CC)C(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024712819	0	57	0.0	-64.17	436.82	2.29	-61.88
CC[NH+](CC)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024712827	0	48	0.0	-71.85	388.54	0.25	-71.60
CCC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024712858	0	55	0.0	-70.14	440.66	2.21	-67.93
CCC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024712858	1	55	0.0	-64.27	434.42	2.40	-61.87
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024712872	1	53	0.0	-72.29	421.81	0.63	-71.66
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024712872	1	53	0.0	-75.57	421.78	0.61	-74.96
CC1CC[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024712899	0	52	0.0	-74.02	419.52	1.65	-72.37
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024712922	0	53	0.0	-76.72	436.89	1.27	-75.45
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024712932	0	49	0.0	-66.49	408.71	0.88	-65.61
CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024712995	0	55	0.0	-75.75	435.83	2.03	-73.72
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024713011	0	49	0.0	-72.99	401.52	0.84	-72.15
CC(C)[C@H](C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024713029	0	51	0.0	-66.47	403.67	1.03	-65.44
CCC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024713059	0	54	0.0	-63.71	423.11	1.47	-62.24
CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713109	0	48	0.0	-74.93	397.03	0.37	-74.56
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713109	1	48	0.0	-71.60	397.10	0.40	-71.20
CC1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713158	0	49	0.0	-70.12	395.63	0.56	-69.56
CC1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713158	1	49	0.0	-70.07	395.66	0.55	-69.52
CC1CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713160	0	49	0.0	-69.13	403.03	0.92	-68.21
CC1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713160	1	49	0.0	-72.95	402.73	0.92	-72.03
CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713164	0	52	0.0	-73.01	422.36	1.41	-71.60
CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713164	1	52	0.0	-72.99	422.37	1.41	-71.58
C[N@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024713165	0	54	0.0	-73.41	426.63	1.67	-71.74
C[N@@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024713165	1	54	0.0	-73.21	427.13	1.75	-71.46
CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024713173	0	48	0.0	-70.20	387.36	0.19	-70.01
C[NH+]1CCC(O)(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024713315	0	53	0.0	-71.97	427.48	-0.54	-72.51
C[NH+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713326	0	42	0.0	-73.78	356.94	-0.83	-74.61
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713330	0	53	0.0	-75.13	430.38	-1.66	-76.79
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[NH+]2CCCCCC2)C1	REAL300024713331	0	52	0.0	-72.99	408.09	1.24	-71.75
CN1C=C[N+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024713335	0	44	0.0	-71.29	388.17	2.68	-68.61
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713341	0	49	0.0	-66.63	395.25	1.01	-65.62
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713341	1	49	0.0	-64.50	395.33	1.02	-63.48
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024713346	0	50	0.0	-65.03	414.41	1.71	-63.32
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024713346	1	50	0.0	-68.32	409.41	1.54	-66.78
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024713370	1	46	0.0	-70.60	384.72	0.21	-70.39
CCC(CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024713374	0	54	0.0	-79.65	431.87	1.78	-77.87
C[NH+](C)CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713381	0	51	0.0	-73.91	404.14	0.85	-73.06
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024713396	0	51	0.0	-73.02	413.89	1.79	-71.23
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024713396	1	51	0.0	-67.40	410.90	2.28	-65.12
O=C(C[NH+]1CCC(O)CC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713404	1	50	0.0	-73.14	409.76	-2.31	-75.45
C[N@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024713405	0	46	0.0	-70.55	386.22	0.58	-69.97
C[N@@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024713405	1	46	0.0	-71.17	386.34	0.58	-70.59
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024713406	1	54	0.0	-71.26	430.23	-1.00	-72.26
C[NH+]1CC(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713424	0	46	0.0	-71.02	388.23	0.00	-71.02
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024713428	0	53	0.0	-73.71	429.42	2.16	-71.55
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024713428	1	53	0.0	-72.02	422.28	1.61	-70.41
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713436	0	52	0.0	-66.16	418.44	0.88	-65.28
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713436	1	52	0.0	-65.94	402.77	0.31	-65.63
C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024713447	0	45	0.0	-69.06	375.04	-0.43	-69.49
[N-]=[N+]=NCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024713454	0	36	0.0	-24.91	333.91	-5.22	-30.13
CCC1CCC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713479	0	55	0.0	-72.10	430.47	1.85	-70.25
CCC1CCC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713479	1	55	0.0	-69.92	438.00	2.30	-67.62
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024713486	0	50	0.0	-78.09	423.54	0.59	-77.50
[NH2+]=C1SC=CN1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713528	0	42	0.0	-69.48	384.04	-0.65	-70.13
C[N@H+](CCO)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713538	0	49	0.0	-71.25	407.39	-2.83	-74.08
C[N@@H+](CCO)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713538	1	49	0.0	-74.24	407.34	-2.83	-77.07
C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024713539	0	45	0.0	-69.06	375.04	-0.43	-69.49
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713543	0	49	0.0	-67.30	389.58	0.60	-66.70
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713543	1	49	0.0	-70.59	398.94	0.78	-69.81
CC1CN2CC[N@@H+]1CC2C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713551	0	52	0.0	-70.29	409.69	-1.86	-72.15
CC1CN2CC[N@H+]1CC2C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713551	1	52	0.0	-71.08	409.82	-1.85	-72.93
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[NH+]2CCC2)C1	REAL300024713613	1	43	0.0	-69.83	367.23	-0.31	-70.14
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713638	0	47	0.0	-74.52	394.85	0.73	-73.79
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713638	1	47	0.0	-74.50	395.79	0.72	-73.78
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713669	0	49	0.0	-71.61	412.83	0.23	-71.38
CCCCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713674	0	57	0.0	-76.81	461.59	2.70	-74.11
CCCCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713674	1	57	0.0	-76.84	461.60	2.70	-74.14
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024713683	0	53	0.0	-72.56	434.15	1.39	-71.17
C=CCC(C)(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024713690	0	52	0.0	-71.11	411.66	1.42	-69.69
C[S+](C)CCC(O)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713694	0	48	0.0	-75.67	421.79	-1.18	-76.85
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713719	0	50	0.0	-79.95	404.61	-2.54	-82.49
CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713729	0	54	0.0	-71.80	425.95	-1.24	-73.04
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713729	1	54	0.0	-71.80	425.95	-1.24	-73.04
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024713730	0	53	0.0	-70.95	427.88	-1.90	-72.85
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713747	0	53	0.0	-73.17	414.69	-0.57	-73.74
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713747	1	53	0.0	-73.17	414.69	-0.57	-73.74
CC1CN(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713750	0	46	0.0	-70.61	387.03	0.32	-70.29
CC1C[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713750	1	46	0.0	-70.61	387.03	0.32	-70.29
CN(CCO)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713773	0	46	0.0	-70.18	385.02	-3.40	-73.58
C[N@H+](CCO)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713773	1	46	0.0	-69.93	384.82	-3.39	-73.32
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713773	1	46	0.0	-69.93	384.82	-3.39	-73.32
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024713794	0	52	0.0	-79.19	401.57	-1.75	-80.94
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024713794	1	52	0.0	-79.19	401.57	-1.75	-80.94
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713799	0	52	0.0	-65.02	412.91	1.66	-63.36
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713799	1	52	0.0	-65.02	412.91	1.66	-63.36
CC(CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024713801	0	51	0.0	-72.26	414.19	1.17	-71.09
CC[N@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713808	0	45	0.0	-69.65	374.69	-0.16	-69.81
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024713827	0	53	0.0	-64.52	410.89	1.76	-62.76
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024713827	1	53	0.0	-64.52	410.89	1.76	-62.76
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024713832	0	51	0.0	-75.35	403.07	2.04	-73.31
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024713832	1	51	0.0	-75.35	403.07	2.04	-73.31
CC[N@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024713851	0	49	0.0	-67.25	403.30	1.14	-66.11
CC[NH+](CC)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713864	0	51	0.0	-74.07	414.88	1.08	-72.99
CC1(C)CN(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713884	0	49	0.0	-73.91	407.38	0.76	-73.15
CC1(C)C[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713884	1	49	0.0	-73.91	407.38	0.76	-73.15
CC1(O)CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713908	0	50	0.0	-72.47	412.79	-2.43	-74.90
C[NH+](C)CC=CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713915	0	46	0.0	-75.02	392.92	0.40	-74.62
CC(OCC[NH+](C)C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713933	0	52	0.0	-71.32	431.82	0.97	-70.35
C[NH+](C)CCOCCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713940	0	52	0.0	-70.75	433.76	-0.04	-70.79
COCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713941	0	49	0.0	-73.97	407.07	-0.99	-74.96
COCC[N@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713941	1	49	0.0	-74.55	407.30	-1.00	-75.55
COCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713941	1	49	0.0	-74.55	407.30	-1.00	-75.55
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024713968	0	52	0.0	-68.21	405.14	1.48	-66.73
CC(CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024713971	0	51	0.0	-73.41	414.22	0.90	-72.51
CCN1CCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713977	0	46	0.0	-69.04	388.59	0.15	-68.89
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713977	1	46	0.0	-72.82	388.56	0.15	-72.67
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713977	1	46	0.0	-72.82	388.56	0.15	-72.67
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713985	0	55	0.0	-68.26	435.86	1.98	-66.28
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024713985	1	55	0.0	-68.26	435.86	1.98	-66.28
O=C(C[N@H+]1CCCC1CO)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024713996	0	50	0.0	-69.13	406.57	-2.78	-71.91
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024714018	0	53	0.0	-69.60	424.36	1.88	-67.72
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024714018	1	53	0.0	-69.60	424.36	1.88	-67.72
C[NH+]1CCC(C)(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024714024	0	52	0.0	-67.08	414.19	1.26	-65.82
C[NH+](C)CC1=CNC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024714030	0	50	0.0	-75.59	423.29	0.49	-75.10
C=CCC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024714050	0	49	0.0	-70.29	400.63	0.66	-69.63
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714060	0	52	0.0	-70.53	422.60	1.40	-69.13
C[N@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714060	1	52	0.0	-70.53	422.60	1.40	-69.13
C[NH+](C)CCCCCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714063	0	54	0.0	-75.22	443.80	2.10	-73.12
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024714096	0	52	0.0	-72.76	402.79	-1.21	-73.97
CCCC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024714097	0	51	0.0	-69.19	408.87	0.96	-68.23
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714101	0	48	0.0	-77.67	384.70	0.28	-77.39
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714135	0	49	0.0	-67.63	398.97	0.79	-66.84
C[N@H+]1CC=C(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024714167	0	50	0.0	-70.74	416.08	1.50	-69.24
C[N@@H+]1CC=C(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024714167	1	50	0.0	-70.22	416.08	1.50	-68.72
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300024714175	0	53	0.0	-67.33	423.07	1.94	-65.39
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024714214	1	49	0.0	-76.92	420.49	0.89	-76.03
O=C(C=CC[NH+]1CCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714228	0	50	0.0	-76.65	417.84	1.52	-75.13
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024714247	0	53	0.0	-75.11	430.90	2.25	-72.86
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024714265	0	46	0.0	-78.18	379.44	0.85	-77.33
O=C(CC[NH+]1CCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714267	0	49	0.0	-71.15	404.24	0.83	-70.32
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024714300	0	49	0.0	-79.73	393.18	-2.37	-82.10
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024714309	0	47	0.0	-71.47	388.97	0.37	-71.10
C[N@H+]1CC2CC1(C(=O)N[C@H]1C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024714309	1	47	0.0	-76.34	389.39	0.26	-76.08
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024714320	0	50	0.0	-67.03	400.98	1.06	-65.97
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024714320	1	50	0.0	-67.53	401.09	1.09	-66.44
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714357	0	51	0.0	-68.90	413.32	1.59	-67.31
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024714367	1	48	0.0	-68.04	396.16	1.16	-66.88
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024714367	1	48	0.0	-66.95	396.02	1.05	-65.90
CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024714395	0	54	0.0	-70.72	433.69	-0.64	-71.36
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714409	0	48	0.0	-67.37	395.14	0.54	-66.83
C[N@@H+]1CCCCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714472	0	52	0.0	-72.47	416.17	1.37	-71.10
C[N@H+]1CCCCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714472	1	52	0.0	-76.30	416.22	1.36	-74.94
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024714486	0	49	0.0	-67.02	404.36	0.88	-66.14
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714489	1	46	0.0	-67.82	382.72	-0.02	-67.84
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714489	1	46	0.0	-67.80	382.72	-0.02	-67.82
C[NH+](C)CC(O)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714492	0	49	0.0	-75.20	409.63	-1.84	-77.04
CC1C[N@H+](C)CC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024714516	1	50	0.0	-75.60	408.42	0.20	-75.40
CC1C[N@@H+](C)CC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024714516	1	50	0.0	-85.86	408.28	-0.07	-85.93
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714524	0	53	0.0	-78.12	431.58	-1.77	-79.89
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714526	0	55	0.0	-66.44	428.79	2.00	-64.44
CCC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714526	1	55	0.0	-66.41	428.77	2.01	-64.40
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024714586	0	49	0.0	-74.65	406.47	0.90	-73.75
CC(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714593	0	51	0.0	-74.42	416.98	1.08	-73.34
C[N@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024714611	0	53	0.0	-69.07	427.41	-1.43	-70.50
C[N@@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024714611	1	53	0.0	-71.36	427.61	-1.45	-72.81
C#CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714616	1	51	0.0	-67.23	424.23	1.97	-65.26
C#CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714616	1	51	0.0	-69.97	424.25	1.97	-68.00
C[NH+]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024714619	1	51	0.0	-71.99	415.98	-1.33	-73.32
CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024714627	0	54	0.0	-70.72	433.69	-0.64	-71.36
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714797	0	46	0.0	-69.77	382.62	0.13	-69.64
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714797	1	46	0.0	-72.07	376.94	-0.29	-72.36
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024714823	1	47	0.0	-76.00	387.21	-0.56	-76.56
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024714823	1	47	0.0	-80.23	394.32	-0.37	-80.60
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714980	1	50	0.0	-71.32	427.94	2.08	-69.24
O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024714984	1	50	0.0	-77.73	412.21	-0.82	-78.55
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024715004	0	50	0.0	-70.21	401.65	1.18	-69.03
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024715012	1	44	0.0	-79.24	387.38	2.68	-76.56
C[NH+](C)C1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024715060	0	55	0.0	-67.51	429.23	1.84	-65.67
C[N@@H+]1CCC(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024715062	0	49	0.0	-75.48	403.75	0.75	-74.73
C[N@H+]1CCC(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024715062	1	49	0.0	-75.27	403.63	0.77	-74.50
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715073	0	48	0.0	-81.62	407.66	-0.02	-81.64
CCC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024715078	0	48	0.0	-68.14	387.35	0.19	-67.95
C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715130	0	51	0.0	-76.03	422.30	1.32	-74.71
CC(C)C(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024715150	0	51	0.0	-71.08	406.36	1.38	-69.70
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715152	0	51	0.0	-75.74	418.53	1.12	-74.62
CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715152	1	51	0.0	-72.21	418.56	1.13	-71.08
CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715157	0	48	0.0	-73.48	396.20	0.59	-72.89
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715157	1	48	0.0	-73.49	396.17	0.59	-72.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024715177	0	50	0.0	-80.18	399.07	0.41	-79.77
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024715177	1	50	0.0	-71.72	398.55	0.40	-71.32
CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715200	0	57	0.0	-74.88	460.67	2.93	-71.95
CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715200	1	57	0.0	-71.32	460.66	2.93	-68.39
CC[NH+](CC)C(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024715203	0	57	0.0	-64.17	436.82	2.29	-61.88
CC1CC[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024715232	0	52	0.0	-74.02	419.52	1.65	-72.37
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024715255	0	53	0.0	-76.72	436.89	1.27	-75.45
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024715294	0	53	0.0	-66.88	424.26	1.91	-64.97
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024715294	1	53	0.0	-69.60	424.36	1.88	-67.72
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024715303	0	49	0.0	-66.49	408.71	0.88	-65.61
CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024715313	0	55	0.0	-75.75	435.83	2.03	-73.72
CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715329	0	48	0.0	-74.93	397.03	0.37	-74.56
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715329	1	48	0.0	-71.60	397.10	0.40	-71.20
CC(C)(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024715350	0	55	0.0	-72.97	426.29	2.14	-70.83
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024715358	0	50	0.0	-80.24	398.20	0.96	-79.28
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024715421	0	49	0.0	-72.99	401.52	0.84	-72.15
CC(C)[C@H](C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024715439	0	51	0.0	-66.47	403.67	1.03	-65.44
CC[NH+](CC)CC(F)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715522	0	51	0.0	-70.69	414.09	0.80	-69.89
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024715550	0	55	0.0	-73.24	441.38	2.15	-71.09
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024715550	1	55	0.0	-73.39	441.25	2.15	-71.24
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024715553	0	49	0.0	-68.92	391.04	0.66	-68.26
CCC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024715583	0	54	0.0	-63.71	423.11	1.47	-62.24
CC1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715600	0	49	0.0	-70.12	395.63	0.56	-69.56
CC1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715600	1	49	0.0	-70.07	395.66	0.55	-69.52
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024715648	0	55	0.0	-66.21	428.10	1.95	-64.26
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715650	0	55	0.0	-64.91	423.95	1.74	-63.17
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715650	1	55	0.0	-64.97	423.94	1.74	-63.23
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715670	0	52	0.0	-68.74	415.83	1.30	-67.44
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715670	1	52	0.0	-68.79	416.05	1.29	-67.50
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715676	0	55	0.0	-63.01	425.93	1.24	-61.77
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715676	1	55	0.0	-62.97	427.40	1.27	-61.70
CC(C)[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024715687	0	51	0.0	-70.80	403.23	1.65	-69.15
CC1CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024715705	0	49	0.0	-69.13	403.03	0.92	-68.21
CC1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024715705	1	49	0.0	-72.95	402.73	0.92	-72.03
CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024715709	0	52	0.0	-73.01	422.36	1.41	-71.60
CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024715709	1	52	0.0	-72.99	422.37	1.41	-71.58
C[N@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024715710	0	54	0.0	-73.41	426.63	1.67	-71.74
C[N@@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024715710	1	54	0.0	-73.21	427.13	1.75	-71.46
CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024715718	0	48	0.0	-70.20	387.36	0.19	-70.01
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715888	1	44	0.0	-69.75	386.34	0.78	-68.97
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715889	0	53	0.0	-68.45	427.66	0.04	-68.41
O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715904	0	55	0.0	-74.45	442.45	2.40	-72.05
C[NH+](C)CC1=CC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024715916	1	48	0.0	-78.91	415.04	0.15	-78.76
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024715945	1	50	0.0	-65.82	422.76	1.91	-63.91
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024715973	0	53	0.0	-63.19	421.36	2.01	-61.18
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024715973	1	53	0.0	-69.35	413.18	1.72	-67.63
CC[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024715987	1	50	0.0	-74.16	405.02	0.10	-74.06
CC[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024715987	1	50	0.0	-74.01	405.01	0.11	-73.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024716027	0	44	0.0	-71.64	387.10	2.70	-68.94
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716032	1	44	0.0	-69.15	385.66	1.47	-67.68
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024716041	0	49	0.0	-76.86	393.51	0.15	-76.71
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024716041	1	49	0.0	-76.39	399.78	0.42	-75.97
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024716045	0	52	0.0	-75.23	413.66	0.88	-74.35
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024716045	1	52	0.0	-74.68	418.82	1.21	-73.47
CC1CCC(C)[NH+]1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716056	0	52	0.0	-69.56	413.85	1.06	-68.50
O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716062	0	52	0.0	-71.25	425.81	1.65	-69.60
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024716067	0	51	0.0	-75.10	426.69	2.03	-73.07
O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716068	0	52	0.0	-70.99	420.94	1.60	-69.39
CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716073	0	52	0.0	-70.00	407.28	1.25	-68.75
CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716073	1	52	0.0	-66.37	416.73	1.42	-64.95
C[NH+](C)C1(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024716106	0	55	0.0	-72.45	420.80	1.60	-70.85
C[N@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024716227	0	49	0.0	-71.38	403.03	1.15	-70.23
C[N@@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024716227	1	49	0.0	-67.99	403.23	1.16	-66.83
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024716244	0	55	0.0	-68.59	418.82	1.14	-67.45
O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716256	0	55	0.0	-74.81	447.26	2.42	-72.39
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024716267	0	49	0.0	-72.99	401.52	0.84	-72.15
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716302	0	46	0.0	-70.06	377.01	-0.27	-70.33
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716302	1	46	0.0	-67.39	383.22	0.24	-67.15
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716323	1	48	0.0	-66.48	403.61	0.95	-65.53
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716323	1	48	0.0	-71.01	409.45	1.38	-69.63
C[N@@H+]1CCCC1CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716328	0	52	0.0	-70.16	418.81	1.20	-68.96
C[N@H+]1CCCC1CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716328	1	52	0.0	-72.69	418.95	1.21	-71.48
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024716335	0	53	0.0	-83.29	412.95	1.47	-81.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024716338	0	53	0.0	-68.06	424.86	2.14	-65.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024716338	1	53	0.0	-68.48	424.73	2.10	-66.38
CCC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024716400	0	55	0.0	-70.14	440.66	2.21	-67.93
CCC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024716400	1	55	0.0	-64.27	434.42	2.40	-61.87
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024716414	1	53	0.0	-72.29	421.81	0.63	-71.66
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024716414	1	53	0.0	-75.57	421.78	0.61	-74.96
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716435	0	49	0.0	-65.85	398.88	0.77	-65.08
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716435	1	49	0.0	-67.63	398.97	0.79	-66.84
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716455	0	55	0.0	-71.15	435.87	1.81	-69.34
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716455	1	55	0.0	-66.88	423.65	2.08	-64.80
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716468	0	53	0.0	-75.13	430.38	-1.66	-76.79
CC1C(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024716509	0	49	0.0	-72.40	394.55	0.36	-72.04
CC1C(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024716509	1	49	0.0	-74.46	399.13	0.65	-73.81
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716511	0	55	0.0	-72.33	438.07	2.09	-70.24
C[N@H+]1CCCCC1CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716511	1	55	0.0	-73.72	430.94	1.91	-71.81
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716589	0	52	0.0	-66.16	418.44	0.88	-65.28
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716589	1	52	0.0	-65.94	402.77	0.31	-65.63
C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024716607	0	45	0.0	-69.06	375.04	-0.43	-69.49
C=CCC(C)(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024716621	0	52	0.0	-71.11	411.66	1.42	-69.69
O=C(CC[NH+]1CCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716641	0	49	0.0	-71.15	404.24	0.83	-70.32
C[N@H+](CCO)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716651	1	46	0.0	-70.18	385.02	-3.40	-73.58
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716651	1	46	0.0	-69.93	384.82	-3.39	-73.32
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024716684	0	52	0.0	-80.56	405.18	-1.51	-82.07
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024716684	1	52	0.0	-79.19	401.57	-1.75	-80.94
C[N@H+]1CC=C(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024716730	0	50	0.0	-70.74	416.08	1.50	-69.24
C[N@@H+]1CC=C(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024716730	1	50	0.0	-70.22	416.08	1.50	-68.72
C[S+](C)CCC(O)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716744	0	48	0.0	-75.67	421.79	-1.18	-76.85
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716762	0	50	0.0	-70.97	405.33	-2.73	-73.70
C[N@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716762	1	50	0.0	-79.95	404.61	-2.54	-82.49
CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024716772	0	54	0.0	-68.44	429.21	-0.63	-69.07
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024716772	1	54	0.0	-71.80	425.95	-1.24	-73.04
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024716773	0	53	0.0	-71.91	425.95	-1.72	-73.63
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300024716773	1	53	0.0	-70.95	427.88	-1.90	-72.85
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024716801	0	53	0.0	-69.66	417.54	-0.69	-70.35
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024716801	1	53	0.0	-73.17	414.69	-0.57	-73.74
CC1C[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024716805	1	46	0.0	-70.61	387.03	0.32	-70.29
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024716811	0	52	0.0	-69.06	419.17	1.46	-67.60
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024716811	1	52	0.0	-65.02	412.91	1.66	-63.36
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024716827	0	50	0.0	-65.03	414.41	1.71	-63.32
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024716827	1	50	0.0	-68.32	409.41	1.54	-66.78
O=C(C=CC[NH+]1CCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716862	0	50	0.0	-76.65	417.84	1.52	-75.13
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024716880	0	53	0.0	-75.11	430.90	2.25	-72.86
CC[N@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024716918	0	45	0.0	-69.65	374.69	-0.16	-69.81
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)CN2CC3C=CC2C3)C1	REAL300024716963	0	48	0.0	-68.04	396.16	1.16	-66.88
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024716963	1	48	0.0	-66.95	396.02	1.05	-65.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024716963	1	48	0.0	-66.95	396.02	1.05	-65.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024717069	0	53	0.0	-64.52	410.89	1.76	-62.76
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024717069	1	53	0.0	-64.52	410.89	1.76	-62.76
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024717075	0	51	0.0	-75.35	403.07	2.04	-73.31
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024717075	1	51	0.0	-75.35	403.07	2.04	-73.31
CC(OCC[NH+](C)C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717084	0	52	0.0	-71.32	431.82	0.97	-70.35
C[NH+](C)CCOCCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717092	0	52	0.0	-70.75	433.76	-0.04	-70.79
COCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717094	0	49	0.0	-73.97	407.07	-0.99	-74.96
COCC[N@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717094	1	49	0.0	-74.55	407.30	-1.00	-75.55
COCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717094	1	49	0.0	-74.55	407.30	-1.00	-75.55
CC(CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024717099	0	51	0.0	-73.41	414.22	0.90	-72.51
CC[N@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024717121	0	49	0.0	-67.25	403.30	1.14	-66.11
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024717136	0	52	0.0	-72.76	402.79	-1.21	-73.97
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024717158	0	47	0.0	-71.47	388.97	0.37	-71.10
C[N@H+]1CC2CC1(C(=O)N[C@H]1C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024717158	1	47	0.0	-76.34	389.39	0.26	-76.08
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024717171	0	50	0.0	-67.03	400.98	1.06	-65.97
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024717171	1	50	0.0	-67.53	401.09	1.09	-66.44
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717190	0	48	0.0	-67.37	395.14	0.54	-66.83
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024717205	0	46	0.0	-78.18	379.44	0.85	-77.33
C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024717228	0	45	0.0	-72.18	375.08	-0.41	-72.59
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717234	1	46	0.0	-69.04	388.59	0.15	-68.89
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717234	1	46	0.0	-72.82	388.56	0.15	-72.67
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024717244	0	55	0.0	-65.81	429.59	2.17	-63.64
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024717244	1	55	0.0	-68.26	435.86	1.98	-66.28
CCC(C)(C)[NH2+]C(C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717256	0	54	0.0	-68.22	422.36	-0.21	-68.43
C#CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717295	1	51	0.0	-67.23	424.23	1.97	-65.26
C#CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717295	1	51	0.0	-69.97	424.25	1.97	-68.00
NC1=CC=[NH+]C=C1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717297	0	42	0.0	-75.68	365.06	-2.32	-78.00
CCCC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024717306	0	51	0.0	-69.19	408.87	0.96	-68.23
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717313	0	48	0.0	-77.67	384.70	0.28	-77.39
CC(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717331	0	51	0.0	-74.42	416.98	1.08	-73.34
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024717388	0	51	0.0	-73.02	413.89	1.79	-71.23
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024717388	1	51	0.0	-67.40	410.90	2.28	-65.12
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717417	0	52	0.0	-72.59	416.81	0.88	-71.71
C[N@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717417	1	52	0.0	-70.53	422.60	1.40	-69.13
C[NH+](C)CCCCCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717420	0	54	0.0	-75.22	443.80	2.10	-73.12
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717424	0	53	0.0	-78.12	431.58	-1.77	-79.89
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717428	0	55	0.0	-66.44	428.79	2.00	-64.44
CCC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717428	1	55	0.0	-66.41	428.77	2.01	-64.40
C[NH+]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024717437	1	51	0.0	-71.99	415.98	-1.33	-73.32
CC1C[N@H+](C)CC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024717519	1	50	0.0	-75.60	408.42	0.20	-75.40
CC1C[N@@H+](C)CC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024717519	1	50	0.0	-85.86	408.28	-0.07	-85.93
CCC1CCC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024717548	0	55	0.0	-72.10	430.47	1.85	-70.25
CCC1CCC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024717548	1	55	0.0	-69.92	438.00	2.30	-67.62
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024717556	0	50	0.0	-78.09	423.54	0.59	-77.50
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[NH+]2CC3CC3C2)C1	REAL300024717569	0	47	0.0	-69.81	392.53	1.05	-68.76
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300024717580	0	53	0.0	-67.33	423.07	1.94	-65.39
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717613	0	49	0.0	-65.85	398.88	0.77	-65.08
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717613	1	49	0.0	-67.63	398.97	0.79	-66.84
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024717712	0	47	0.0	-74.52	394.85	0.73	-73.79
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024717712	1	47	0.0	-74.50	395.79	0.72	-73.78
O=C(CNC1=CC=[NH+]C=C1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717717	0	45	0.0	-70.07	392.66	-1.56	-71.63
[N-]=[N+]=NCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024717761	0	36	0.0	-24.91	333.91	-5.22	-30.13
CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024717768	0	54	0.0	-70.72	433.69	-0.64	-71.36
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717771	0	51	0.0	-68.90	413.32	1.59	-67.31
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024717804	0	52	0.0	-68.21	405.14	1.48	-66.73
C[N@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024717812	0	53	0.0	-69.07	427.41	-1.43	-70.50
C[N@@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024717812	1	53	0.0	-71.36	427.61	-1.45	-72.81
CCC1C[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024717815	1	49	0.0	-74.57	409.61	1.03	-73.54
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024717818	0	53	0.0	-69.30	416.85	1.87	-67.43
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717830	0	46	0.0	-66.70	383.07	0.21	-66.49
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717830	1	46	0.0	-69.97	376.93	-0.28	-70.25
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717852	0	53	0.0	-74.65	420.67	-0.52	-75.17
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024717956	0	49	0.0	-74.65	406.47	0.90	-73.75
C[NH+](C)C1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024717967	0	55	0.0	-65.26	429.29	1.87	-63.39
C[NH+](C)CCC1(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024717968	0	52	0.0	-76.09	433.19	1.70	-74.39
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024717969	0	55	0.0	-71.12	429.23	1.85	-69.27
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717970	0	50	0.0	-73.34	408.16	1.23	-72.11
C[N@H+]1CC=CCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024717970	1	50	0.0	-73.34	408.16	1.23	-72.11
C[NH+](C)CCOCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718022	0	49	0.0	-71.61	412.83	0.23	-71.38
CCCCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718027	0	57	0.0	-76.84	461.60	2.70	-74.14
CCCCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718027	1	57	0.0	-76.84	461.60	2.70	-74.14
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024718038	0	53	0.0	-72.56	434.15	1.39	-71.17
[NH2+]=C1SC=CN1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718061	0	42	0.0	-69.48	384.04	-0.65	-70.13
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718126	0	52	0.0	-70.89	432.60	0.92	-69.97
O=C(CC[NH+]1CCCCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718157	0	55	0.0	-72.94	430.96	1.80	-71.14
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[NH+]2CCCCC2)C1	REAL300024718160	0	49	0.0	-69.35	398.68	1.04	-68.31
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024718162	0	49	0.0	-66.63	395.25	1.01	-65.62
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024718162	1	49	0.0	-64.50	395.33	1.02	-63.48
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718163	0	53	0.0	-75.13	430.38	-1.66	-76.79
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[NH+]2CCCCCC2)C1	REAL300024718164	0	52	0.0	-72.99	408.09	1.24	-71.75
CN1C=C[N+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024718169	0	44	0.0	-71.29	388.17	2.68	-68.61
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024718184	1	49	0.0	-76.92	420.49	0.89	-76.03
O=C(C[NH+]1CCC(O)CC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718199	1	50	0.0	-73.14	409.76	-2.31	-75.45
C[N@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024718203	0	46	0.0	-70.55	386.22	0.58	-69.97
C[N@@H+](CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024718203	1	46	0.0	-71.17	386.34	0.58	-70.59
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024718205	1	54	0.0	-71.26	430.23	-1.00	-72.26
O=C(CC[N@H+]1CCC(F)C1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718207	0	49	0.0	-79.71	411.62	1.00	-78.71
O=C(CC[N@@H+]1CCC(F)C1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718207	1	49	0.0	-79.74	411.17	0.98	-78.76
COC1C[N@H+](C)C(C)(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024718216	0	53	0.0	-70.16	425.90	-0.09	-70.25
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024718216	1	53	0.0	-71.47	427.22	-0.39	-71.86
CCOCC(N=[N+]=[N-])C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024718224	0	46	0.0	-24.41	410.14	-4.54	-28.95
CC(CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024718232	0	51	0.0	-72.26	414.19	1.17	-71.09
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024718244	0	51	0.0	-70.17	413.66	-0.69	-70.86
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024718244	1	51	0.0	-71.06	412.07	-0.51	-71.57
C[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718261	1	50	0.0	-66.13	400.07	-1.15	-67.28
C[N@H+]1CCOCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718261	1	50	0.0	-79.81	407.57	-1.01	-80.82
CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024718269	0	54	0.0	-70.72	433.69	-0.64	-71.36
CC1(O)CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024718358	0	50	0.0	-70.57	413.47	-2.41	-72.98
CC1(O)CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024718358	1	50	0.0	-72.47	412.79	-2.43	-74.90
C[NH+]1CC(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024718390	0	46	0.0	-71.02	388.23	0.00	-71.02
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024718394	0	53	0.0	-73.71	429.42	2.16	-71.55
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024718394	1	53	0.0	-72.02	422.28	1.61	-70.41
C[NH+](C)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718402	0	42	0.0	-73.78	356.94	-0.83	-74.61
C[N@H+](CCO)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718428	0	49	0.0	-71.25	407.39	-2.83	-74.08
C[N@@H+](CCO)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718428	1	49	0.0	-74.24	407.34	-2.83	-77.07
C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024718429	0	45	0.0	-69.06	375.04	-0.43	-69.49
C[N@@H+]1CCCCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718446	0	52	0.0	-72.47	416.17	1.37	-71.10
C[N@H+]1CCCCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718446	1	52	0.0	-76.30	416.22	1.36	-74.94
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024718463	0	49	0.0	-67.02	404.36	0.88	-66.14
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718467	1	46	0.0	-67.82	382.72	-0.02	-67.84
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718467	1	46	0.0	-67.80	382.72	-0.02	-67.82
C[NH+](C)CC=CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718478	0	46	0.0	-75.02	392.92	0.40	-74.62
CC1(C)C[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024718489	1	49	0.0	-73.91	407.38	0.76	-73.15
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024718504	1	50	0.0	-66.02	427.18	0.46	-65.56
C[NH+](C)CCSCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718521	0	49	0.0	-76.12	423.83	1.11	-75.01
O=C(C[N@H+]1CCCC1CO)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718544	0	50	0.0	-69.89	402.77	-2.28	-72.17
O=C(C[N@@H+]1CCCC1CO)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718544	1	50	0.0	-69.13	406.57	-2.78	-71.91
CC[NH+](CC)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718548	0	48	0.0	-71.85	388.54	0.25	-71.60
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[NH+]2CCC2)C1	REAL300024718559	1	43	0.0	-69.83	367.23	-0.31	-70.14
CC[NH+](CC)CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718599	0	51	0.0	-74.07	414.88	1.08	-72.99
C[NH+](C)CC1=CNC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024718656	0	50	0.0	-75.59	423.29	0.49	-75.10
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024718673	0	53	0.0	-69.69	427.84	-1.92	-71.61
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024718677	0	51	0.0	-75.37	415.90	-0.48	-75.85
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024718677	1	51	0.0	-75.35	415.68	-0.50	-75.85
CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024718688	1	46	0.0	-70.60	384.72	0.21	-70.39
CCC(CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024718693	0	54	0.0	-79.65	431.87	1.78	-77.87
C[NH+](C)CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718701	0	51	0.0	-73.91	404.14	0.85	-73.06
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718753	0	49	0.0	-67.30	389.58	0.60	-66.70
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718753	1	49	0.0	-70.59	398.94	0.78	-69.81
CC1CN2CC[N@@H+]1CC2C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718767	0	52	0.0	-70.29	409.69	-1.86	-72.15
CC1CN2CC[N@H+]1CC2C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718767	1	52	0.0	-71.08	409.82	-1.85	-72.93
C[NH+](C)CC(O)CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718787	0	49	0.0	-75.20	409.63	-1.84	-77.04
C[NH+]1C2CCC1CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024718789	0	53	0.0	-71.56	417.17	1.42	-70.14
C=CCC(C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024718819	0	49	0.0	-70.29	400.63	0.66	-69.63
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024718826	0	53	0.0	-66.88	424.26	1.91	-64.97
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024718826	1	53	0.0	-69.60	424.36	1.88	-67.72
C[NH+]1CCC(C)(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024718837	0	52	0.0	-67.08	414.19	1.26	-65.82
C[NH+]1CCC(O)(CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024718839	0	53	0.0	-71.97	427.48	-0.54	-72.51
NC(=[NH2+])SCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718863	0	40	0.0	-75.70	365.49	-3.95	-79.65
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718890	0	53	0.0	-74.65	420.67	-0.52	-75.17
C[NH+](C)C1CCC(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024718903	0	55	0.0	-65.26	429.29	1.87	-63.39
C[NH+](C)CCC1(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024718904	0	52	0.0	-76.09	433.19	1.70	-74.39
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024718905	0	55	0.0	-71.12	429.23	1.85	-69.27
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718906	0	50	0.0	-73.34	408.16	1.23	-72.11
C[N@H+]1CC=CCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718906	1	50	0.0	-73.34	408.16	1.23	-72.11
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024718927	0	52	0.0	-70.89	432.60	0.92	-69.97
C[NH+]1C2CCC1CC(C(=O)N[C@H]1C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024718951	0	53	0.0	-71.56	417.17	1.42	-70.14
CCC1C[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024719043	1	49	0.0	-74.57	409.61	1.03	-73.54
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024719045	0	53	0.0	-69.30	416.85	1.87	-67.43
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024719052	1	46	0.0	-69.97	376.93	-0.28	-70.25
O=C(CC[N@@H+]1CCC(F)C1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024719059	1	49	0.0	-79.74	411.17	0.98	-78.76
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024719067	1	53	0.0	-71.47	427.22	-0.39	-71.86
O=C(CC[NH+]1CCCCCC1)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024719074	0	55	0.0	-72.94	430.96	1.80	-71.14
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C[NH+]2CCCCC2)C1	REAL300024719076	0	49	0.0	-69.35	398.68	1.04	-68.31
CC1C(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024719085	0	49	0.0	-72.40	394.55	0.36	-72.04
CC1C(C(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024719085	1	49	0.0	-74.46	399.13	0.65	-73.81
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024719087	0	55	0.0	-72.33	438.07	2.09	-70.24
C[N@H+]1CCCCC1CCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024719087	1	55	0.0	-73.72	430.94	1.91	-71.81
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024719109	0	51	0.0	-70.17	413.66	-0.69	-70.86
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024719109	1	51	0.0	-71.06	412.07	-0.51	-71.57
CN1CCOCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024719126	0	50	0.0	-79.81	407.57	-1.01	-80.82
C[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024719126	1	50	0.0	-66.13	400.07	-1.15	-67.28
C[N@H+]1CCOCC1CC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024719126	1	50	0.0	-79.81	407.57	-1.01	-80.82
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024719133	1	50	0.0	-66.02	427.18	0.46	-65.56
CCOCC(N=[N+]=[N-])C(=O)N[C@H]1C[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024719137	0	46	0.0	-24.41	410.14	-4.54	-28.95
C[NH+](C)CCSCC(=O)N[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024719207	0	49	0.0	-76.12	423.83	1.11	-75.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024719213	0	51	0.0	-75.37	415.90	-0.48	-75.85
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024719213	1	51	0.0	-75.35	415.68	-0.50	-75.85
C[N@@H+]1CCCC1C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719320	0	53	0.0	-68.29	409.59	2.49	-65.80
C[N@H+]1CCCC1C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719320	1	53	0.0	-75.57	400.06	3.93	-71.64
CCC(C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024719423	0	55	0.0	-72.78	407.82	4.39	-68.39
CCC[N@H+](C)CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719428	0	55	0.0	-70.83	429.22	3.35	-67.48
CCC[N@@H+](C)CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719428	1	55	0.0	-77.32	419.59	4.80	-72.52
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719436	0	53	0.0	-75.83	399.97	3.93	-71.90
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719436	1	53	0.0	-73.77	406.90	4.33	-69.44
CC[NH+](CC)CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719441	0	55	0.0	-75.07	415.85	4.75	-70.32
CC[N@H+](C)CCC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719499	0	55	0.0	-72.09	429.84	3.15	-68.94
CC[N@@H+](C)CCC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719499	1	55	0.0	-72.15	429.84	3.15	-69.00
CC[C@@H](C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024719502	0	55	0.0	-73.07	408.84	4.39	-68.68
C[NH+](C)CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719520	0	49	0.0	-77.39	380.12	3.40	-73.99
CC(C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024719524	1	53	0.0	-74.47	410.17	4.35	-70.12
C[N@H+](CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024719531	0	53	0.0	-68.69	419.01	3.36	-65.33
C[N@@H+](CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024719531	1	53	0.0	-74.69	409.77	4.80	-69.89
C[NH+]1CC(CC(=O)NC2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024719537	0	53	0.0	-76.59	411.56	4.23	-72.36
C[C@@H](C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024719544	0	52	0.0	-74.96	398.26	3.81	-71.15
[N-]=[N+]=NCC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NC(=O)NN1	REAL300024719547	0	43	0.0	-24.34	357.09	-0.99	-25.33
C[C@@H](C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024719566	0	52	0.0	-74.96	398.26	3.81	-71.15
O=C(C[NH+]1CCC1)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719584	1	50	0.0	-77.05	390.20	3.83	-73.22
C[C@H](C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024719595	0	52	0.0	-74.28	396.03	3.80	-70.48
CC1C[NH+](CC(=O)NC2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024719602	1	53	0.0	-77.05	411.57	4.52	-72.53
C[N@H+](CCO)CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719613	1	53	0.0	-71.44	417.83	-0.61	-72.05
C[N@@H+](CCO)CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719613	1	53	0.0	-71.13	417.86	-0.65	-71.78
CC[N@H+](C)CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719620	0	52	0.0	-70.41	407.72	2.61	-67.80
CC[N@@H+](C)CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719620	1	52	0.0	-70.94	407.48	2.63	-68.31
C[NH+](C)CC=CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719638	0	53	0.0	-79.21	416.08	4.62	-74.59
CC[N@@H+]1CCC1C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719644	1	53	0.0	-74.85	401.80	4.13	-70.72
CC[N@H+]1CCC1C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719644	1	53	0.0	-75.93	412.00	4.36	-71.57
C[NH+](C)C(C)(C)C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719658	0	55	0.0	-77.79	404.30	4.26	-73.53
C[NH+](C)C1(C(=O)NC2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024719681	0	53	0.0	-78.72	406.61	4.04	-74.68
CC(C[NH+](C)C)C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719703	0	55	0.0	-72.18	428.15	3.23	-68.95
CC1CC[N@@H+]1CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719714	1	53	0.0	-68.44	415.30	2.74	-65.70
CC1CC[N@H+]1CC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024719714	1	53	0.0	-75.54	411.41	4.45	-71.09
C[N@@H+]1CCCC1C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024719829	0	53	0.0	-74.26	407.95	2.40	-71.86
C[N@H+]1CCCC1C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024719829	1	53	0.0	-67.66	407.76	2.36	-65.30
CCC(C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024719903	0	55	0.0	-69.36	403.29	4.09	-65.27
CCC[N@H+](C)CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024719907	0	55	0.0	-76.02	428.98	3.31	-72.71
CCC[N@@H+](C)CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024719907	1	55	0.0	-73.31	419.58	4.75	-68.56
CC[N@H+](C)CCC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024719924	0	55	0.0	-74.80	420.45	4.59	-70.21
CC[N@@H+](C)CCC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024719924	1	55	0.0	-74.87	420.45	4.58	-70.29
CC[C@@H](C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024719965	0	55	0.0	-69.55	407.08	4.18	-65.37
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720011	0	53	0.0	-72.18	398.11	3.83	-68.35
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720011	1	53	0.0	-69.31	402.05	4.19	-65.12
C[C@@H](C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024720066	0	52	0.0	-71.38	397.23	3.66	-67.72
C[N@H+](CCO)CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720076	1	53	0.0	-73.68	408.43	0.76	-72.92
C[N@@H+](CCO)CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720076	1	53	0.0	-69.72	417.46	-0.70	-70.42
CC1C[NH+](CC(=O)N2C3CCC2CC(NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024720092	1	53	0.0	-73.58	411.31	4.40	-69.18
CC[N@H+](C)CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720110	0	52	0.0	-75.69	407.48	2.56	-73.13
CC[N@@H+](C)CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720110	1	52	0.0	-72.92	398.08	4.00	-68.92
CC(C[NH+](C)C)C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720143	0	55	0.0	-68.37	411.49	4.34	-64.03
C[NH+](C)C1(C(=O)N2C3CCC2CC(NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300024720146	0	53	0.0	-70.47	408.88	2.34	-68.13
C[C@H](C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024720150	0	52	0.0	-71.84	395.10	3.62	-68.22
CC[N@@H+]1CCC1C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720153	0	53	0.0	-68.84	420.76	2.82	-66.02
CC[N@H+]1CCC1C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720153	1	53	0.0	-67.07	412.28	2.47	-64.60
C[NH+](C)C(C)(C)C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720162	0	55	0.0	-72.23	395.86	3.69	-68.54
[N-]=[N+]=NCC(=O)N1C2CCC1CC(NC(=O)CSC1=NC(=O)NN1)C2	REAL300024720211	0	43	0.0	-25.34	366.72	-2.50	-27.84
C[N@@H+]1CCC[C@H]1C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720224	0	53	0.0	-69.89	402.06	4.15	-65.74
C[N@H+]1CCC[C@H]1C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720224	1	53	0.0	-71.72	398.19	3.82	-67.90
C[N@H+](CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024720261	0	53	0.0	-73.29	419.16	3.32	-69.97
C[N@@H+](CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300024720261	1	53	0.0	-70.67	409.77	4.75	-65.92
C[NH+]1CC(CC(=O)N2C3CCC2CC(NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024720289	0	53	0.0	-74.08	411.63	4.19	-69.89
C[NH+](C)CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720292	0	49	0.0	-73.76	380.35	3.33	-70.43
C[C@@H](C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300024720295	0	52	0.0	-71.38	397.23	3.66	-67.72
CC1CC[N@@H+]1CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720304	0	53	0.0	-71.21	405.87	4.12	-67.09
CC1CC[N@H+]1CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720304	1	53	0.0	-71.10	406.30	4.21	-66.89
C[NH+](C)CC=CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720305	0	53	0.0	-76.89	414.91	4.51	-72.38
CC[NH+](CC)CC(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024720311	0	55	0.0	-71.34	415.72	4.68	-66.66
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC(C1)N2C(=O)C[NH+]1CCC1	REAL300024720312	1	50	0.0	-73.67	390.32	3.79	-69.88
CC(C(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300024720335	0	53	0.0	-70.81	398.92	3.81	-67.00
NC(=[NH2+])SCC(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024720375	0	47	0.0	-77.79	388.65	0.27	-77.52
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024720407	0	53	0.0	-67.37	415.53	2.95	-64.42
C[N@H+]1CCC[C@H]1C(=O)NC1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024720407	1	53	0.0	-70.74	409.87	2.50	-68.24
C[NH+](C)CC(=O)N1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21	REAL300024720522	0	52	0.0	-72.89	398.72	3.59	-69.30
C[C@@H](C(=O)N1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21)[NH+](C)C	REAL300024720527	0	55	0.0	-69.77	412.87	3.89	-65.88
[N-]=[N+]=NCC(=O)N1CCCC2CN(C(=O)CSC3=NC(=O)NN3)CCC21	REAL300024720530	0	46	0.0	-22.43	375.68	-0.81	-23.24
C[C@@H](C(=O)N1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21)[NH+](C)C	REAL300024720537	0	55	0.0	-69.77	412.87	3.89	-65.88
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C(CCCN2C(=O)C[NH+]2CCC2)C1	REAL300024720544	1	53	0.0	-72.66	408.95	4.08	-68.58
C[C@H](C(=O)N1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21)[NH+](C)C	REAL300024720549	0	55	0.0	-71.30	413.85	3.90	-67.40
CC[N@H+](C)CC(=O)N1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21	REAL300024720558	0	55	0.0	-72.38	416.35	4.24	-68.14
CC[N@@H+](C)CC(=O)N1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21	REAL300024720558	1	55	0.0	-72.27	416.38	4.25	-68.02
C[C@@H](C(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024720696	0	55	0.0	-62.64	414.09	3.92	-58.72
CC[N@H+](C)CC(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024720715	0	55	0.0	-65.37	416.34	4.24	-61.13
CC[N@@H+](C)CC(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024720715	1	55	0.0	-65.33	416.38	4.26	-61.07
C[C@H](C(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024720728	0	55	0.0	-65.64	415.05	3.93	-61.71
[N-]=[N+]=NCC(=O)N1CCC2C(CCCN2C(=O)CSC2=NC(=O)NN2)C1	REAL300024720753	0	46	0.0	-22.00	375.62	-0.82	-22.82
C[NH+](C)CC(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024720784	0	52	0.0	-66.28	398.65	3.59	-62.69
C[C@@H](C(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024720787	0	55	0.0	-62.64	414.09	3.92	-58.72
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2CN(C(=O)C[NH+]3CCC3)CCC21	REAL300024720794	1	53	0.0	-65.61	408.97	4.05	-61.56
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024720989	0	46	0.0	-72.62	377.11	-0.32	-72.94
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024720989	1	46	0.0	-66.02	371.74	0.25	-65.77
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024721013	1	47	0.0	-79.05	387.33	-0.61	-79.66
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024721013	1	47	0.0	-67.16	382.04	-0.03	-67.19
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024721169	0	55	0.0	-64.76	421.83	2.11	-62.65
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721171	0	55	0.0	-60.79	427.28	2.39	-58.40
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721171	1	55	0.0	-68.29	424.06	1.71	-66.58
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721191	0	52	0.0	-72.12	409.98	1.39	-70.73
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721191	1	52	0.0	-63.56	410.55	1.81	-61.75
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024721207	0	53	0.0	-65.40	419.25	2.48	-62.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024721207	1	53	0.0	-67.22	421.62	2.63	-64.59
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721225	1	50	0.0	-69.42	422.68	1.86	-67.56
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721250	1	44	0.0	-64.42	383.42	1.46	-62.96
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721251	0	53	0.0	-76.43	428.39	-0.14	-76.57
O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721266	0	55	0.0	-75.07	442.58	2.37	-72.70
CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024721280	0	55	0.0	-64.60	423.34	2.83	-61.77
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024721288	0	50	0.0	-70.81	395.33	1.65	-69.16
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024721323	0	53	0.0	-63.24	410.15	2.40	-60.84
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024721323	1	53	0.0	-62.52	410.31	2.39	-60.13
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024721333	0	49	0.0	-75.06	394.64	0.33	-74.73
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024721333	1	49	0.0	-67.25	396.32	1.32	-65.93
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024721337	0	52	0.0	-75.79	413.78	0.84	-74.95
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024721337	1	52	0.0	-73.86	417.76	1.40	-72.46
CC[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024721346	1	50	0.0	-72.44	409.19	0.95	-71.49
CC[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024721346	1	50	0.0	-68.22	402.08	0.79	-67.43
CC[NH+](CC)CC(F)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721385	0	51	0.0	-67.96	415.77	1.75	-66.21
CC1CCC(C)[NH+]1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721444	0	52	0.0	-64.41	408.83	1.59	-62.82
O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721450	0	52	0.0	-67.76	422.82	2.33	-65.43
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024721454	0	51	0.0	-70.48	423.79	2.73	-67.75
O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721455	0	52	0.0	-68.51	418.02	2.28	-66.23
CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721459	0	52	0.0	-70.16	416.87	1.36	-68.80
CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721459	1	52	0.0	-63.59	404.45	1.96	-61.63
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024721471	0	55	0.0	-74.53	441.90	2.14	-72.39
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024721471	1	55	0.0	-74.89	441.82	2.04	-72.85
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024721474	0	49	0.0	-67.43	384.25	1.24	-66.19
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721476	0	55	0.0	-62.22	425.52	2.00	-60.22
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721476	1	55	0.0	-63.91	422.15	1.79	-62.12
CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024721487	0	51	0.0	-71.03	402.71	0.67	-70.36
C[N@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024721524	0	49	0.0	-65.36	400.11	1.84	-63.52
C[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024721524	1	49	0.0	-72.20	403.33	1.12	-71.08
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024721568	0	55	0.0	-69.18	419.04	1.02	-68.16
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721619	1	48	0.0	-72.29	403.70	0.90	-71.39
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721619	1	48	0.0	-72.20	409.45	1.43	-70.77
C[N@@H+]1CCCC1CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721624	0	52	0.0	-67.34	415.55	1.87	-65.47
C[N@H+]1CCCC1CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721624	1	52	0.0	-73.80	419.04	1.15	-72.65
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024721631	0	53	0.0	-67.46	411.43	2.06	-65.40
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024721634	0	53	0.0	-61.33	421.84	2.83	-58.50
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024721634	1	53	0.0	-63.63	412.47	2.17	-61.46
O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721649	0	55	0.0	-75.79	446.82	2.33	-73.46
C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024721660	0	49	0.0	-78.87	401.67	0.79	-78.08
C[NH+](C)CC1=CC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024721689	1	48	0.0	-81.22	415.18	0.09	-81.13
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721713	0	49	0.0	-70.17	399.07	0.73	-69.44
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721713	1	49	0.0	-71.21	399.06	0.73	-70.48
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721732	0	55	0.0	-63.37	438.77	3.03	-60.34
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721732	1	55	0.0	-72.34	436.05	1.76	-70.58
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024721817	0	44	0.0	-75.04	387.25	2.65	-72.39
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721823	1	50	0.0	-65.25	425.02	2.76	-62.49
O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721827	1	50	0.0	-72.76	406.51	-0.33	-73.09
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721852	1	44	0.0	-69.24	381.52	2.04	-67.20
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024721884	0	50	0.0	-65.05	395.33	1.67	-63.38
C[NH+](C)C1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024721904	0	55	0.0	-68.44	429.40	1.78	-66.66
C[N@@H+]1CCC(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024721906	0	49	0.0	-69.81	400.57	1.45	-68.36
C[N@H+]1CCC(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024721906	1	49	0.0	-68.94	399.88	1.44	-67.50
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024721917	0	48	0.0	-68.26	404.73	0.66	-67.60
CCC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024721922	0	48	0.0	-71.62	390.85	0.74	-70.88
C[NH+](C)C1(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024721932	0	55	0.0	-68.04	417.87	2.29	-65.75
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024721966	1	44	0.0	-68.43	384.46	3.37	-65.06
C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722011	0	51	0.0	-76.79	422.44	1.27	-75.52
CC(C)C(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024722029	0	51	0.0	-70.88	401.29	0.67	-70.21
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722031	0	51	0.0	-70.37	413.35	1.65	-68.72
CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722031	1	51	0.0	-70.21	413.35	1.65	-68.56
CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722036	0	48	0.0	-74.20	396.30	0.54	-73.66
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722036	1	48	0.0	-68.30	393.25	1.26	-67.04
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024722056	0	50	0.0	-69.45	396.17	1.09	-68.36
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024722056	1	50	0.0	-69.20	393.39	0.91	-68.29
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722088	0	46	0.0	-72.62	377.08	-0.33	-72.95
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722088	1	46	0.0	-65.38	378.04	0.76	-64.62
CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722135	0	57	0.0	-69.88	455.48	3.45	-66.43
CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722135	1	57	0.0	-75.59	460.84	2.88	-72.71
CC[NH+](CC)C(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024722138	0	57	0.0	-63.83	431.00	2.91	-60.92
CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722146	0	48	0.0	-72.47	393.21	0.49	-71.98
CCC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722177	0	55	0.0	-73.84	440.83	2.16	-71.68
CCC[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722177	1	55	0.0	-73.84	440.83	2.15	-71.69
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722191	1	53	0.0	-70.70	426.01	1.46	-69.24
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722191	1	53	0.0	-64.73	418.85	1.30	-63.43
CC1CC[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024722218	0	52	0.0	-74.54	419.67	1.61	-72.93
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024722241	0	53	0.0	-80.68	436.99	1.21	-79.47
C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024722251	0	49	0.0	-74.25	408.77	0.87	-73.38
CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024722314	0	55	0.0	-76.09	432.31	1.74	-74.35
C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024722330	0	49	0.0	-78.87	401.67	0.79	-78.08
CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024722348	0	51	0.0	-65.25	401.85	1.71	-63.54
CCC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024722378	0	54	0.0	-67.51	421.76	1.58	-65.93
CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722428	0	48	0.0	-68.85	394.13	1.07	-67.78
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722428	1	48	0.0	-69.76	391.84	0.92	-68.84
CC1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722477	0	49	0.0	-71.41	402.24	0.91	-70.50
CC1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722477	1	49	0.0	-70.74	395.78	0.52	-70.22
CC1CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722479	0	49	0.0	-73.58	402.43	0.88	-72.70
CC1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722479	1	49	0.0	-73.57	402.43	0.88	-72.69
CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722483	0	52	0.0	-66.30	418.89	2.09	-64.21
CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722483	1	52	0.0	-67.38	418.91	2.10	-65.28
C[N@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024722484	0	54	0.0	-74.13	424.91	1.53	-72.60
C[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024722484	1	54	0.0	-68.50	421.89	2.27	-66.23
CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024722492	0	48	0.0	-71.08	387.27	0.16	-70.92
C[NH+]1CCC(O)(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024722634	0	53	0.0	-75.35	427.63	-0.58	-75.93
C[NH+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722645	0	42	0.0	-68.67	354.02	-0.14	-68.81
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722649	0	53	0.0	-70.04	427.68	-0.94	-70.98
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCCCCC2)C1	REAL300024722650	0	52	0.0	-68.70	402.73	1.75	-66.95
CN1C=C[N+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024722654	0	44	0.0	-71.89	388.31	2.64	-69.25
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722660	0	49	0.0	-67.40	398.57	1.49	-65.91
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722660	1	49	0.0	-64.45	390.07	1.53	-62.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024722665	0	50	0.0	-63.73	409.06	2.21	-61.52
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024722665	1	50	0.0	-68.85	409.58	1.49	-67.36
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024722689	1	46	0.0	-66.45	379.94	0.77	-65.68
CCC(CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024722693	0	54	0.0	-69.40	424.75	2.38	-67.02
C[NH+](C)CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722700	0	51	0.0	-74.30	406.95	0.89	-73.41
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024722715	0	51	0.0	-72.89	414.25	1.72	-71.17
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024722715	1	51	0.0	-74.92	415.15	2.43	-72.49
O=C(C[NH+]1CCC(O)CC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722723	1	50	0.0	-78.81	410.31	-2.36	-81.17
C[N@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024722724	0	46	0.0	-65.97	381.04	1.10	-64.87
C[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024722724	1	46	0.0	-65.96	383.46	1.26	-64.70
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024722725	1	54	0.0	-68.03	427.09	-0.32	-68.35
C[NH+]1CC(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722743	0	46	0.0	-69.04	385.18	0.61	-68.43
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024722747	0	53	0.0	-65.59	420.07	2.33	-63.26
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024722747	1	53	0.0	-73.91	431.53	2.02	-71.89
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722755	0	52	0.0	-64.55	395.66	1.26	-63.29
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722755	1	52	0.0	-70.99	402.89	0.26	-70.73
C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024722766	0	45	0.0	-66.64	371.78	0.28	-66.36
[N-]=[N+]=NCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024722773	0	36	0.0	-23.44	330.99	-4.55	-27.99
CCC1CCC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722798	0	55	0.0	-66.77	427.50	2.52	-64.25
CCC1CCC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722798	1	55	0.0	-66.79	427.99	2.94	-63.85
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024722805	0	50	0.0	-85.06	423.65	0.55	-84.51
[NH2+]=C1SC=CN1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722847	0	42	0.0	-70.81	384.15	-0.69	-71.50
C[N@H+](CCO)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722857	0	49	0.0	-67.94	404.54	-2.16	-70.10
C[N@@H+](CCO)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722857	1	49	0.0	-74.96	407.50	-2.90	-77.86
C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024722858	0	45	0.0	-66.64	371.78	0.28	-66.36
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722862	0	49	0.0	-65.57	386.75	1.29	-64.28
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722862	1	49	0.0	-64.56	395.99	1.46	-63.10
CC1CN2CC[N@@H+]1CC2C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722870	0	52	0.0	-78.99	409.88	-1.90	-80.89
CC1CN2CC[N@H+]1CC2C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722870	1	52	0.0	-67.00	404.51	-1.33	-68.33
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCC2)C1	REAL300024722932	1	43	0.0	-74.31	367.41	-0.40	-74.71
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722957	0	47	0.0	-70.66	391.90	1.42	-69.24
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024722957	1	47	0.0	-77.23	395.98	0.66	-76.57
C[NH+](C)CCOCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722988	0	49	0.0	-69.83	407.62	0.75	-69.08
CCCCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722993	0	57	0.0	-77.51	461.70	2.64	-74.87
CCCCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024722993	1	57	0.0	-77.46	461.67	2.64	-74.82
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024723002	0	53	0.0	-73.89	435.75	1.08	-72.81
C=CCC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024723009	0	52	0.0	-63.52	405.33	1.75	-61.77
C[S+](C)CCC(O)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723013	0	48	0.0	-80.89	421.97	-1.22	-82.11
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723038	0	50	0.0	-79.32	405.07	-2.49	-81.81
CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723048	0	54	0.0	-67.81	423.00	-0.56	-68.37
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723048	1	54	0.0	-67.81	423.00	-0.56	-68.37
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024723049	0	53	0.0	-71.55	427.97	-1.97	-73.52
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723066	0	53	0.0	-73.81	414.81	-0.62	-74.43
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723066	1	53	0.0	-73.81	414.81	-0.62	-74.43
CC1CN(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723069	0	46	0.0	-74.81	387.16	0.29	-74.52
CC1C[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723069	1	46	0.0	-74.81	387.16	0.29	-74.52
CN(CCO)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723092	0	46	0.0	-74.91	385.21	-3.44	-78.35
C[N@H+](CCO)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723092	1	46	0.0	-74.38	384.94	-3.44	-77.82
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723092	1	46	0.0	-74.38	384.94	-3.44	-77.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024723113	0	52	0.0	-73.70	400.70	-0.34	-74.04
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024723113	1	52	0.0	-73.70	400.70	-0.34	-74.04
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723118	0	52	0.0	-67.09	413.09	1.61	-65.48
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723118	1	52	0.0	-67.09	413.09	1.61	-65.48
CC(CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024723120	0	51	0.0	-75.81	414.30	1.12	-74.69
CC[N@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723127	0	45	0.0	-68.47	369.49	0.37	-68.10
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024723146	0	53	0.0	-63.37	406.69	2.28	-61.09
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024723146	1	53	0.0	-63.37	406.69	2.28	-61.09
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024723151	0	51	0.0	-68.49	404.92	1.46	-67.03
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024723151	1	51	0.0	-61.39	401.50	2.18	-59.21
CC[N@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024723170	0	49	0.0	-65.53	400.33	1.72	-63.81
CC[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024723170	1	49	0.0	-65.09	401.15	1.76	-63.33
CC[NH+](CC)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723183	0	51	0.0	-66.73	412.19	1.78	-64.95
C[NH+]1CCC(=CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024723194	0	50	0.0	-70.87	405.29	1.97	-68.90
CC1(C)C[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723203	1	49	0.0	-68.07	404.65	1.48	-66.59
CC1(O)CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723227	0	50	0.0	-68.57	410.24	-1.74	-70.31
CC1(O)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723227	1	50	0.0	-68.59	410.41	-1.74	-70.33
C[NH+](C)CC=CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723234	0	46	0.0	-78.54	393.04	0.35	-78.19
CC(OCC[NH+](C)C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723252	0	52	0.0	-69.08	427.41	1.43	-67.65
C[NH+](C)CCOCCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723259	0	52	0.0	-67.48	430.89	0.68	-66.80
COCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723260	1	49	0.0	-74.06	407.20	-1.04	-75.10
COCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723260	1	49	0.0	-74.83	407.43	-1.04	-75.87
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024723287	0	52	0.0	-63.60	400.32	2.03	-61.57
CC(CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024723290	0	51	0.0	-77.25	410.44	0.86	-76.39
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723296	1	46	0.0	-71.61	381.88	-0.15	-71.76
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723296	1	46	0.0	-67.34	383.39	0.72	-66.62
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723304	0	55	0.0	-67.08	429.72	2.13	-64.95
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723304	1	55	0.0	-67.12	429.73	2.12	-65.00
O=C(C[N@H+]1CCCC1CO)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723315	0	50	0.0	-64.72	397.56	-1.76	-66.48
O=C(C[N@@H+]1CCCC1CO)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723315	1	50	0.0	-73.43	406.69	-2.81	-76.24
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024723337	0	53	0.0	-65.40	419.25	2.48	-62.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024723337	1	53	0.0	-67.22	421.62	2.63	-64.59
C[NH+]1CCC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024723343	0	52	0.0	-70.01	409.01	1.77	-68.24
C[NH+](C)CC1=CNC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024723349	0	50	0.0	-68.92	420.42	1.14	-67.78
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024723363	0	53	0.0	-75.42	427.95	-1.96	-77.38
C=CCC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024723369	0	49	0.0	-64.41	397.41	1.36	-63.05
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723379	0	52	0.0	-70.13	422.94	1.27	-68.86
C[N@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723379	1	52	0.0	-70.71	422.82	1.35	-69.36
C[NH+](C)CCCCCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723382	0	54	0.0	-70.36	438.62	2.61	-67.75
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[NH+]2CC3CC3C2)C1	REAL300024723390	0	47	0.0	-66.94	389.50	1.74	-65.20
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024723415	0	52	0.0	-82.60	410.06	-1.80	-84.40
CC1C[N@H+]2CCN1C(C(=O)N[C@H]1C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024723415	1	52	0.0	-72.84	398.77	-1.48	-74.32
CCCC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024723416	0	51	0.0	-71.84	409.11	0.88	-70.96
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723420	0	48	0.0	-71.83	380.41	0.62	-71.21
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723454	0	49	0.0	-70.17	399.07	0.73	-69.44
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723454	1	49	0.0	-71.21	399.06	0.73	-70.48
C[N@H+]1CC=C(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024723486	0	50	0.0	-68.99	410.89	2.03	-66.96
C[N@@H+]1CC=C(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024723486	1	50	0.0	-67.15	413.15	2.19	-64.96
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300024723494	0	53	0.0	-64.64	420.12	2.60	-62.04
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024723533	1	49	0.0	-66.73	417.50	1.57	-65.16
O=C(C=CC[NH+]1CCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723547	0	50	0.0	-71.05	412.64	2.04	-69.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024723566	0	53	0.0	-69.35	425.62	2.76	-66.59
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024723584	0	46	0.0	-67.59	374.52	1.53	-66.06
O=C(CC[NH+]1CCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723586	0	49	0.0	-75.16	405.42	0.86	-74.30
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024723619	0	49	0.0	-69.29	390.47	-1.66	-70.95
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024723628	0	47	0.0	-67.23	384.66	1.10	-66.13
C[N@H+]1CC2CC1(C(=O)N[C@H]1C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024723628	1	47	0.0	-77.84	387.55	0.46	-77.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024723639	0	50	0.0	-71.27	401.01	1.02	-70.25
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024723639	1	50	0.0	-72.25	403.49	1.23	-71.02
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723676	0	51	0.0	-66.99	408.05	2.08	-64.91
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024723686	1	48	0.0	-70.24	396.17	1.01	-69.23
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024723686	1	48	0.0	-70.73	395.90	1.00	-69.73
CC[NH+]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024723714	0	54	0.0	-72.81	433.35	-0.73	-73.54
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723728	0	48	0.0	-75.39	395.36	0.40	-74.99
C[N@@H+]1CCCCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723791	0	52	0.0	-76.47	416.27	1.31	-75.16
C[N@H+]1CCCCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723791	1	52	0.0	-68.06	408.84	1.18	-66.88
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024723805	0	49	0.0	-66.33	399.21	1.38	-64.95
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723808	1	46	0.0	-71.98	382.90	-0.06	-72.04
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723808	1	46	0.0	-73.11	388.44	0.20	-72.91
C[NH+](C)CC(O)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723811	0	49	0.0	-79.27	409.71	-1.85	-81.12
CC1C[N@H+](C)CC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024723835	1	50	0.0	-74.38	410.36	0.86	-73.52
CC1C[N@@H+](C)CC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024723835	1	50	0.0	-74.18	412.62	1.03	-73.15
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723843	0	53	0.0	-71.51	429.10	-1.06	-72.57
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723845	0	55	0.0	-64.47	426.32	2.68	-61.79
CCC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723845	1	55	0.0	-63.55	435.10	2.84	-60.71
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024723905	0	49	0.0	-75.44	406.66	0.84	-74.60
CC(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723912	0	51	0.0	-75.21	417.16	1.04	-74.17
C[N@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024723930	0	53	0.0	-71.65	428.09	-1.66	-73.31
C[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024723930	1	53	0.0	-72.25	427.75	-1.49	-73.74
C#CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723935	1	51	0.0	-65.15	411.86	2.49	-62.66
C#CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024723935	1	51	0.0	-71.04	414.97	1.75	-69.29
C[NH+]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024723938	1	51	0.0	-70.05	410.77	-0.80	-70.85
CC[NH+]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024723946	0	54	0.0	-72.81	433.35	-0.73	-73.54
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724116	0	46	0.0	-72.62	377.11	-0.32	-72.94
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724116	1	46	0.0	-66.02	371.74	0.25	-65.77
C[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024724142	1	47	0.0	-79.05	387.33	-0.61	-79.66
C[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024724142	1	47	0.0	-67.16	382.04	-0.03	-67.19
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724299	1	50	0.0	-65.25	425.02	2.76	-62.49
O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724303	1	50	0.0	-72.76	406.51	-0.33	-73.09
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024724323	0	50	0.0	-65.05	395.33	1.67	-63.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024724331	1	44	0.0	-68.43	384.46	3.37	-65.06
C[NH+](C)C1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024724379	0	55	0.0	-68.44	429.40	1.78	-66.66
C[N@@H+]1CCC(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024724381	0	49	0.0	-69.81	400.57	1.45	-68.36
C[N@H+]1CCC(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024724381	1	49	0.0	-68.94	399.88	1.44	-67.50
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724392	0	48	0.0	-68.26	404.73	0.66	-67.60
CCC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024724397	0	48	0.0	-71.62	390.85	0.74	-70.88
C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724449	0	51	0.0	-76.79	422.44	1.27	-75.52
CC(C)C(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024724469	0	51	0.0	-70.88	401.29	0.67	-70.21
CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724471	0	51	0.0	-70.37	413.35	1.65	-68.72
CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724471	1	51	0.0	-70.21	413.35	1.65	-68.56
CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724476	0	48	0.0	-74.20	396.30	0.54	-73.66
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724476	1	48	0.0	-68.30	393.25	1.26	-67.04
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024724496	0	50	0.0	-69.45	396.17	1.09	-68.36
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024724496	1	50	0.0	-69.20	393.39	0.91	-68.29
CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724519	0	57	0.0	-69.88	455.48	3.45	-66.43
CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724519	1	57	0.0	-75.59	460.84	2.88	-72.71
CC[NH+](CC)C(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024724522	0	57	0.0	-63.83	431.00	2.91	-60.92
CC1CC[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024724551	0	52	0.0	-74.54	419.67	1.61	-72.93
C[NH+]1CCC(OCC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024724574	0	53	0.0	-80.68	436.99	1.21	-79.47
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024724613	0	53	0.0	-65.40	419.25	2.48	-62.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024724613	1	53	0.0	-67.22	421.62	2.63	-64.59
C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024724622	0	49	0.0	-74.25	408.77	0.87	-73.38
CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024724632	0	55	0.0	-76.09	432.31	1.74	-74.35
CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724648	0	48	0.0	-68.85	394.13	1.07	-67.78
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724648	1	48	0.0	-69.76	391.84	0.92	-68.84
CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024724669	0	55	0.0	-64.60	423.34	2.83	-61.77
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024724677	0	50	0.0	-70.81	395.33	1.65	-69.16
C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024724740	0	49	0.0	-78.87	401.67	0.79	-78.08
CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024724758	0	51	0.0	-65.25	401.85	1.71	-63.54
CC[NH+](CC)CC(F)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724841	0	51	0.0	-67.96	415.77	1.75	-66.21
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024724869	0	55	0.0	-74.53	441.90	2.14	-72.39
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024724869	1	55	0.0	-74.89	441.82	2.04	-72.85
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024724872	0	49	0.0	-67.43	384.25	1.24	-66.19
CCC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024724902	0	54	0.0	-67.51	421.76	1.58	-65.93
CC1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724919	0	49	0.0	-71.41	402.24	0.91	-70.50
CC1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724919	1	49	0.0	-70.74	395.78	0.52	-70.22
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024724967	0	55	0.0	-64.76	421.83	2.11	-62.65
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724969	0	55	0.0	-60.79	427.28	2.39	-58.40
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724969	1	55	0.0	-68.29	424.06	1.71	-66.58
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724989	0	52	0.0	-72.12	409.98	1.39	-70.73
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724989	1	52	0.0	-63.56	410.55	1.81	-61.75
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724995	0	55	0.0	-62.22	425.52	2.00	-60.22
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024724995	1	55	0.0	-63.91	422.15	1.79	-62.12
CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024725006	0	51	0.0	-71.03	402.71	0.67	-70.36
CC1CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024725024	0	49	0.0	-73.58	402.43	0.88	-72.70
CC1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024725024	1	49	0.0	-73.57	402.43	0.88	-72.69
CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024725028	0	52	0.0	-66.30	418.89	2.09	-64.21
CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024725028	1	52	0.0	-67.38	418.91	2.10	-65.28
C[N@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024725029	0	54	0.0	-74.13	424.91	1.53	-72.60
C[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024725029	1	54	0.0	-68.50	421.89	2.27	-66.23
CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024725037	0	48	0.0	-71.08	387.27	0.16	-70.92
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725207	1	44	0.0	-64.42	383.42	1.46	-62.96
CC(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725208	0	53	0.0	-76.43	428.39	-0.14	-76.57
O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725223	0	55	0.0	-75.07	442.58	2.37	-72.70
C[NH+](C)CC1=CC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024725235	1	48	0.0	-81.22	415.18	0.09	-81.13
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725264	1	50	0.0	-69.42	422.68	1.86	-67.56
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024725292	0	53	0.0	-63.24	410.15	2.40	-60.84
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024725292	1	53	0.0	-62.52	410.31	2.39	-60.13
CC[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024725306	1	50	0.0	-72.44	409.19	0.95	-71.49
CC[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024725306	1	50	0.0	-68.22	402.08	0.79	-67.43
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024725346	0	44	0.0	-75.04	387.25	2.65	-72.39
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725351	1	44	0.0	-69.24	381.52	2.04	-67.20
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024725360	0	49	0.0	-75.06	394.64	0.33	-74.73
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024725360	1	49	0.0	-67.25	396.32	1.32	-65.93
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024725364	0	52	0.0	-75.79	413.78	0.84	-74.95
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024725364	1	52	0.0	-73.86	417.76	1.40	-72.46
CC1CCC(C)[NH+]1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725375	0	52	0.0	-64.41	408.83	1.59	-62.82
O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725381	0	52	0.0	-67.76	422.82	2.33	-65.43
C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024725386	0	51	0.0	-70.48	423.79	2.73	-67.75
O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725387	0	52	0.0	-68.51	418.02	2.28	-66.23
CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725392	0	52	0.0	-70.16	416.87	1.36	-68.80
CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725392	1	52	0.0	-63.59	404.45	1.96	-61.63
C[NH+](C)C1(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024725425	0	55	0.0	-68.04	417.87	2.29	-65.75
C[N@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024725546	0	49	0.0	-65.36	400.11	1.84	-63.52
C[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024725546	1	49	0.0	-72.20	403.33	1.12	-71.08
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024725563	0	55	0.0	-69.18	419.04	1.02	-68.16
O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725575	0	55	0.0	-75.79	446.82	2.33	-73.46
C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024725586	0	49	0.0	-78.87	401.67	0.79	-78.08
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725621	0	46	0.0	-72.62	377.08	-0.33	-72.95
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725621	1	46	0.0	-65.38	378.04	0.76	-64.62
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725642	1	48	0.0	-72.29	403.70	0.90	-71.39
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725642	1	48	0.0	-72.20	409.45	1.43	-70.77
C[N@@H+]1CCCC1CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725647	0	52	0.0	-67.34	415.55	1.87	-65.47
C[N@H+]1CCCC1CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725647	1	52	0.0	-73.80	419.04	1.15	-72.65
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024725654	0	53	0.0	-67.46	411.43	2.06	-65.40
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024725657	0	53	0.0	-61.33	421.84	2.83	-58.50
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024725657	1	53	0.0	-63.63	412.47	2.17	-61.46
CCC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024725719	0	55	0.0	-73.84	440.83	2.16	-71.68
CCC[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024725719	1	55	0.0	-73.84	440.83	2.15	-71.69
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024725733	1	53	0.0	-70.70	426.01	1.46	-69.24
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024725733	1	53	0.0	-64.73	418.85	1.30	-63.43
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725754	0	49	0.0	-70.17	399.07	0.73	-69.44
C[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725754	1	49	0.0	-71.21	399.06	0.73	-70.48
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725774	0	55	0.0	-63.37	438.77	3.03	-60.34
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725774	1	55	0.0	-72.34	436.05	1.76	-70.58
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725787	0	53	0.0	-70.04	427.68	-0.94	-70.98
CC1C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024725828	0	49	0.0	-66.71	393.84	1.17	-65.54
CC1C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024725828	1	49	0.0	-68.76	396.90	1.12	-67.64
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725830	0	55	0.0	-68.60	425.72	2.42	-66.18
C[N@H+]1CCCCC1CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725830	1	55	0.0	-66.93	434.96	2.77	-64.16
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725908	0	52	0.0	-64.55	395.66	1.26	-63.29
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725908	1	52	0.0	-70.99	402.89	0.26	-70.73
C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024725926	0	45	0.0	-66.64	371.78	0.28	-66.36
C=CCC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024725940	0	52	0.0	-63.52	405.33	1.75	-61.77
O=C(CC[NH+]1CCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725960	0	49	0.0	-75.16	405.42	0.86	-74.30
C[N@H+](CCO)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725970	1	46	0.0	-74.91	385.21	-3.44	-78.35
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024725970	1	46	0.0	-74.38	384.94	-3.44	-77.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024726003	0	52	0.0	-71.68	402.19	-0.81	-72.49
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024726003	1	52	0.0	-73.70	400.70	-0.34	-74.04
C[N@H+]1CC=C(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024726049	0	50	0.0	-68.99	410.89	2.03	-66.96
C[N@@H+]1CC=C(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024726049	1	50	0.0	-67.15	413.15	2.19	-64.96
C[S+](C)CCC(O)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726063	0	48	0.0	-80.89	421.97	-1.22	-82.11
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726081	0	50	0.0	-76.92	406.44	-2.74	-79.66
C[N@H+]1CC(O)CC1(C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726081	1	50	0.0	-79.32	405.07	-2.49	-81.81
CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024726091	0	54	0.0	-66.55	423.92	0.01	-66.54
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024726091	1	54	0.0	-67.81	423.00	-0.56	-68.37
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024726092	0	53	0.0	-73.51	427.95	-1.98	-75.49
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300024726092	1	53	0.0	-71.55	427.97	-1.97	-73.52
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024726120	0	53	0.0	-64.43	414.62	0.05	-64.38
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024726120	1	53	0.0	-73.81	414.81	-0.62	-74.43
CC1C[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024726124	1	46	0.0	-74.81	387.16	0.29	-74.52
CC[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024726130	0	52	0.0	-62.43	410.03	2.34	-60.09
CC[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024726130	1	52	0.0	-67.09	413.09	1.61	-65.48
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024726146	0	50	0.0	-63.73	409.06	2.21	-61.52
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024726146	1	50	0.0	-68.85	409.58	1.49	-67.36
O=C(C=CC[NH+]1CCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726181	0	50	0.0	-71.05	412.64	2.04	-69.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024726199	0	53	0.0	-69.35	425.62	2.76	-66.59
CC[N@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726237	0	45	0.0	-68.47	369.49	0.37	-68.10
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)CN2CC3C=CC2C3)C1	REAL300024726282	0	48	0.0	-70.24	396.17	1.01	-69.23
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024726282	1	48	0.0	-70.73	395.90	1.00	-69.73
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024726282	1	48	0.0	-70.73	395.90	1.00	-69.73
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024726388	0	53	0.0	-63.37	406.69	2.28	-61.09
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024726388	1	53	0.0	-63.37	406.69	2.28	-61.09
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024726394	0	51	0.0	-61.39	401.50	2.18	-59.21
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024726394	1	51	0.0	-61.39	401.50	2.18	-59.21
CC(OCC[NH+](C)C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726403	0	52	0.0	-69.08	427.41	1.43	-67.65
C[NH+](C)CCOCCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726411	0	52	0.0	-67.48	430.89	0.68	-66.80
COCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726413	0	49	0.0	-74.06	407.20	-1.04	-75.10
COCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726413	1	49	0.0	-74.83	407.43	-1.04	-75.87
COCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726413	1	49	0.0	-74.83	407.43	-1.04	-75.87
CC(CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024726418	0	51	0.0	-77.25	410.44	0.86	-76.39
CC[N@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024726440	0	49	0.0	-65.09	401.15	1.76	-63.33
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024726455	0	52	0.0	-72.84	398.77	-1.48	-74.32
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024726477	0	47	0.0	-77.84	387.55	0.46	-77.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024726490	0	50	0.0	-72.25	403.49	1.23	-71.02
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024726490	1	50	0.0	-72.25	403.49	1.23	-71.02
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726509	0	48	0.0	-75.39	395.36	0.40	-74.99
CCN1CCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726553	0	46	0.0	-71.61	381.88	-0.15	-71.76
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726553	1	46	0.0	-67.34	383.39	0.72	-66.62
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726553	1	46	0.0	-67.34	383.39	0.72	-66.62
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024726563	0	55	0.0	-67.12	429.73	2.12	-65.00
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024726563	1	55	0.0	-67.12	429.73	2.12	-65.00
CCC(C)(C)[NH2+]C(C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726575	0	54	0.0	-65.62	419.80	0.47	-65.15
C#CCN1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726614	0	51	0.0	-65.15	411.86	2.49	-62.66
C#CC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726614	1	51	0.0	-71.04	414.97	1.75	-69.29
C#CC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726614	1	51	0.0	-71.04	414.97	1.75	-69.29
CCCC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024726625	0	51	0.0	-71.84	409.11	0.88	-70.96
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726632	0	48	0.0	-71.83	380.41	0.62	-71.21
CC(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726650	0	51	0.0	-75.21	417.16	1.04	-74.17
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024726707	0	51	0.0	-74.92	415.15	2.43	-72.49
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726736	0	52	0.0	-70.71	422.82	1.35	-69.36
C[N@H+]1CC(C)(C)CC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726736	1	52	0.0	-70.71	422.82	1.35	-69.36
C[NH+](C)CCCCCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726739	0	54	0.0	-70.36	438.62	2.61	-67.75
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726743	0	53	0.0	-71.51	429.10	-1.06	-72.57
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726747	0	55	0.0	-63.55	435.10	2.84	-60.71
CCC[N@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726747	1	55	0.0	-63.55	435.10	2.84	-60.71
CN1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024726756	0	51	0.0	-70.05	410.77	-0.80	-70.85
C[NH+]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024726756	1	51	0.0	-70.05	410.77	-0.80	-70.85
CC1CN(C)CC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024726838	0	50	0.0	-74.38	410.36	0.86	-73.52
CC1C[N@H+](C)CC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024726838	1	50	0.0	-74.18	412.62	1.03	-73.15
CC1C[N@@H+](C)CC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024726838	1	50	0.0	-74.18	412.62	1.03	-73.15
CCC1CCC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024726867	0	55	0.0	-66.79	427.99	2.94	-63.85
CCC1CCC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024726867	1	55	0.0	-66.79	427.99	2.94	-63.85
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300024726899	0	53	0.0	-64.64	420.12	2.60	-62.04
C[N@@H+]1CCCCC1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726932	0	49	0.0	-71.21	399.06	0.73	-70.48
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024727031	0	47	0.0	-77.23	395.98	0.66	-76.57
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024727031	1	47	0.0	-77.23	395.98	0.66	-76.57
O=C(CNC1=CC=[NH+]C=C1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727036	0	45	0.0	-74.16	392.79	-1.60	-75.76
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727090	0	51	0.0	-66.99	408.05	2.08	-64.91
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024727123	0	52	0.0	-63.60	400.32	2.03	-61.57
C[N@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024727131	0	53	0.0	-72.25	427.75	-1.49	-73.74
CCC1CN(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024727134	0	49	0.0	-75.11	409.64	1.01	-74.10
CCC1C[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024727134	1	49	0.0	-75.11	409.64	1.01	-74.10
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024727137	0	53	0.0	-62.57	413.94	2.55	-60.02
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727149	0	46	0.0	-65.16	374.13	0.39	-64.77
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727171	0	53	0.0	-68.66	417.19	0.22	-68.44
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024727275	0	49	0.0	-75.44	406.66	0.84	-74.60
C[NH+](C)C1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024727286	0	55	0.0	-68.08	432.83	2.70	-65.38
C[NH+](C)CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024727287	0	52	0.0	-66.39	429.88	2.42	-63.97
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024727288	0	55	0.0	-66.83	426.30	2.54	-64.29
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727289	0	50	0.0	-69.35	405.45	1.94	-67.41
C[N@H+]1CC=CCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727289	1	50	0.0	-69.35	405.45	1.94	-67.41
C[NH+](C)CCOCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727341	0	49	0.0	-69.83	407.62	0.75	-69.08
CCCCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727346	0	57	0.0	-77.46	461.67	2.64	-74.82
CCCCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727346	1	57	0.0	-77.46	461.67	2.64	-74.82
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024727357	0	53	0.0	-73.89	435.75	1.08	-72.81
[NH2+]=C1SC=CN1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727380	0	42	0.0	-70.81	384.15	-0.69	-71.50
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727445	0	52	0.0	-73.10	432.73	0.87	-72.23
O=C(CC[NH+]1CCCCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727476	0	55	0.0	-77.15	431.10	1.75	-75.40
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCCCC2)C1	REAL300024727479	0	49	0.0	-66.43	395.76	1.73	-64.70
C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024727481	0	49	0.0	-67.40	398.57	1.49	-65.91
C[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024727481	1	49	0.0	-64.45	390.07	1.53	-62.92
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727482	0	53	0.0	-70.04	427.68	-0.94	-70.98
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCCCCC2)C1	REAL300024727483	0	52	0.0	-68.70	402.73	1.75	-66.95
CN1C=C[N+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024727488	0	44	0.0	-71.89	388.31	2.64	-69.25
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024727503	1	49	0.0	-66.73	417.50	1.57	-65.16
O=C(C[NH+]1CCC(O)CC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727518	1	50	0.0	-78.81	410.31	-2.36	-81.17
C[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024727522	1	46	0.0	-65.96	383.46	1.26	-64.70
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024727524	1	54	0.0	-68.03	427.09	-0.32	-68.35
O=C(CC[N@@H+]1CCC(F)C1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727526	1	49	0.0	-70.11	408.38	1.66	-68.45
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024727535	1	53	0.0	-76.35	426.79	-0.23	-76.58
CCOCC(N=[N+]=[N-])C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024727543	0	46	0.0	-25.63	410.27	-4.59	-30.22
CC(CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024727551	0	51	0.0	-75.81	414.30	1.12	-74.69
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024727563	0	51	0.0	-70.39	412.97	0.13	-70.26
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024727563	1	51	0.0	-65.74	409.13	0.18	-65.56
CN1CCOCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727580	0	50	0.0	-69.87	400.21	-1.20	-71.07
C[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727580	1	50	0.0	-80.56	407.71	-1.06	-81.62
C[N@H+]1CCOCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727580	1	50	0.0	-69.87	400.21	-1.20	-71.07
CC[NH+]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024727588	0	54	0.0	-72.81	433.35	-0.73	-73.54
CC1(O)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024727677	1	50	0.0	-68.59	410.41	-1.74	-70.33
C[NH+]1CC(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024727709	0	46	0.0	-69.04	385.18	0.61	-68.43
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024727713	0	53	0.0	-65.59	420.07	2.33	-63.26
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024727713	1	53	0.0	-73.91	431.53	2.02	-71.89
C[NH+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727721	0	42	0.0	-68.67	354.02	-0.14	-68.81
C[N@H+](CCO)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727747	0	49	0.0	-67.94	404.54	-2.16	-70.10
C[N@@H+](CCO)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727747	1	49	0.0	-74.96	407.50	-2.90	-77.86
C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024727748	0	45	0.0	-66.64	371.78	0.28	-66.36
C[N@@H+]1CCCCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727765	0	52	0.0	-76.47	416.27	1.31	-75.16
C[N@H+]1CCCCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727765	1	52	0.0	-68.06	408.84	1.18	-66.88
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024727782	0	49	0.0	-66.33	399.21	1.38	-64.95
CC1CCN1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727786	0	46	0.0	-73.11	388.44	0.20	-72.91
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727786	1	46	0.0	-71.98	382.90	-0.06	-72.04
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727786	1	46	0.0	-73.11	388.44	0.20	-72.91
C[NH+](C)CC=CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727797	0	46	0.0	-78.54	393.04	0.35	-78.19
CC1(C)C[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024727808	1	49	0.0	-68.07	404.65	1.48	-66.59
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024727823	1	50	0.0	-62.87	424.25	1.15	-61.72
C[NH+](C)CCSCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727840	0	49	0.0	-73.15	418.66	1.63	-71.52
O=C(C[N@@H+]1CCCC1CO)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727863	1	50	0.0	-73.43	406.69	-2.81	-76.24
CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727867	0	48	0.0	-72.47	393.21	0.49	-71.98
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCC2)C1	REAL300024727878	1	43	0.0	-74.31	367.41	-0.40	-74.71
CC[NH+](CC)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024727918	0	51	0.0	-66.73	412.19	1.78	-64.95
C[NH+](C)CC1=CNC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024727975	0	50	0.0	-68.92	420.42	1.14	-67.78
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024727992	0	53	0.0	-75.42	427.95	-1.96	-77.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024727996	0	51	0.0	-73.76	415.70	-0.52	-74.28
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024727996	1	51	0.0	-67.59	410.14	0.07	-67.52
CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024728007	1	46	0.0	-66.45	379.94	0.77	-65.68
CCC(CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024728012	0	54	0.0	-69.40	424.75	2.38	-67.02
C[NH+](C)CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728020	0	51	0.0	-74.30	406.95	0.89	-73.41
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728072	1	49	0.0	-64.56	395.99	1.46	-63.10
CC1CN2CC[N@H+]1CC2C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728086	1	52	0.0	-67.00	404.51	-1.33	-68.33
C[NH+](C)CC(O)CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728106	0	49	0.0	-79.27	409.71	-1.85	-81.12
C[NH+]1C2CCC1CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024728108	0	53	0.0	-75.57	417.09	1.36	-74.21
C=CCC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024728138	0	49	0.0	-64.41	397.41	1.36	-63.05
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024728145	0	53	0.0	-65.40	419.25	2.48	-62.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024728145	1	53	0.0	-67.22	421.62	2.63	-64.59
C[NH+]1CCC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024728156	0	52	0.0	-70.01	409.01	1.77	-68.24
C[NH+]1CCC(O)(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024728158	0	53	0.0	-75.35	427.63	-0.58	-75.93
NC(=[NH2+])SCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728182	0	40	0.0	-68.29	361.94	-3.19	-71.48
CC[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728209	0	53	0.0	-68.66	417.19	0.22	-68.44
C[NH+](C)C1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024728222	0	55	0.0	-68.08	432.83	2.70	-65.38
C[NH+](C)CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024728223	0	52	0.0	-66.39	429.88	2.42	-63.97
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024728224	0	55	0.0	-66.83	426.30	2.54	-64.29
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728225	0	50	0.0	-69.35	405.45	1.94	-67.41
C[N@H+]1CC=CCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728225	1	50	0.0	-69.35	405.45	1.94	-67.41
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728246	0	52	0.0	-73.10	432.73	0.87	-72.23
C[NH+]1C2CCC1CC(C(=O)N[C@H]1C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024728270	0	53	0.0	-75.57	417.09	1.36	-74.21
CCC1C[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024728362	1	49	0.0	-75.11	409.64	1.01	-74.10
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024728364	0	53	0.0	-62.57	413.94	2.55	-60.02
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728371	1	46	0.0	-65.16	374.13	0.39	-64.77
O=C(CC[N@@H+]1CCC(F)C1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728378	1	49	0.0	-70.11	408.38	1.66	-68.45
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024728386	1	53	0.0	-76.35	426.79	-0.23	-76.58
O=C(CC[NH+]1CCCCCC1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728393	0	55	0.0	-77.15	431.10	1.75	-75.40
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCCCC2)C1	REAL300024728395	0	49	0.0	-66.43	395.76	1.73	-64.70
CC1C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024728404	0	49	0.0	-66.71	393.84	1.17	-65.54
CC1C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024728404	1	49	0.0	-68.76	396.90	1.12	-67.64
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728406	0	55	0.0	-68.60	425.72	2.42	-66.18
C[N@H+]1CCCCC1CCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728406	1	55	0.0	-66.93	434.96	2.77	-64.16
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024728428	0	51	0.0	-70.39	412.97	0.13	-70.26
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024728428	1	51	0.0	-65.74	409.13	0.18	-65.56
CN1CCOCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728445	0	50	0.0	-69.87	400.21	-1.20	-71.07
C[N@@H+]1CCOCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728445	1	50	0.0	-80.56	407.71	-1.06	-81.62
C[N@H+]1CCOCC1CC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728445	1	50	0.0	-69.87	400.21	-1.20	-71.07
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024728452	1	50	0.0	-62.87	424.25	1.15	-61.72
CCOCC(N=[N+]=[N-])C(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024728456	0	46	0.0	-25.63	410.27	-4.59	-30.22
C[NH+](C)CCSCC(=O)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728526	0	49	0.0	-73.15	418.66	1.63	-71.52
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024728532	0	51	0.0	-73.76	415.70	-0.52	-74.28
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024728532	1	51	0.0	-67.59	410.14	0.07	-67.52
C[N@H+]1CCCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728695	1	52	0.0	-63.25	413.28	2.64	-60.61
CN1CCOC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024728719	0	53	0.0	-72.31	424.88	2.06	-70.25
C[N@@H+]1CCOC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024728719	1	53	0.0	-72.31	424.87	2.06	-70.25
C[N@H+]1CCOC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024728719	1	53	0.0	-72.31	424.88	2.06	-70.25
CC1=[NH+]C=CN1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728858	1	50	0.0	-63.38	416.86	3.21	-60.17
C[C@@H]1[C@H](C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024728876	0	55	0.0	-66.75	424.99	2.84	-63.91
C[C@@H]1[C@H](C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024728876	1	55	0.0	-66.13	429.57	3.11	-63.02
C[NH+](C)C1(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024728896	0	55	0.0	-66.18	421.61	2.75	-63.43
CC(C)[C@@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024728898	0	57	0.0	-63.26	431.71	3.15	-60.11
C[N@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024728907	0	55	0.0	-63.87	433.58	3.59	-60.28
C[N@@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024728907	1	55	0.0	-64.07	433.67	3.59	-60.48
C[NH+]1CCC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024728931	0	55	0.0	-69.44	432.05	3.26	-66.18
C[N@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728937	1	55	0.0	-63.69	420.14	3.03	-60.66
CC1=C[NH+]=CN1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728954	1	50	0.0	-65.85	416.20	3.91	-61.94
C[N@@H+]1CCC(CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024728964	0	55	0.0	-69.30	434.01	3.20	-66.10
C[N@H+]1CCC(CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024728964	1	55	0.0	-68.82	433.78	3.21	-65.61
CCC(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024728967	0	54	0.0	-63.42	417.90	2.61	-60.81
C[NH+](C)CCCCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728981	0	57	0.0	-69.72	452.86	3.75	-65.97
CC(C)C(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024728984	0	57	0.0	-64.45	436.55	3.86	-60.59
CCC[N@H+](C)CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728985	0	57	0.0	-67.99	449.08	3.56	-64.43
CCC[N@@H+](C)CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728985	1	57	0.0	-67.97	449.03	3.55	-64.42
CCC[N@H+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728986	0	54	0.0	-65.74	426.71	3.01	-62.73
CCC[N@@H+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024728986	1	54	0.0	-65.73	426.71	3.01	-62.72
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729001	1	52	0.0	-63.19	413.82	2.67	-60.52
CC[NH+](CC)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729013	0	54	0.0	-64.06	423.60	2.96	-61.10
C[NH+](C)CC1(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024729067	0	55	0.0	-67.10	439.23	3.37	-63.73
C[NH+]1CCC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024729089	0	55	0.0	-69.44	432.05	3.26	-66.18
CC(C)[C@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024729104	0	57	0.0	-63.91	434.24	3.48	-60.43
CC[N@H+](C)CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729131	0	54	0.0	-67.35	427.58	2.81	-64.54
CC[N@@H+](C)CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729131	1	54	0.0	-67.39	427.58	2.83	-64.56
CC1CCC[N@@H+]1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729141	0	55	0.0	-62.65	433.46	3.25	-59.40
CC1CCC[N@H+]1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729141	1	55	0.0	-62.93	432.66	3.37	-59.56
CC1CC[N@H+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729142	0	55	0.0	-64.67	433.74	3.25	-61.42
CC1CC[N@@H+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729142	1	55	0.0	-64.76	433.80	3.25	-61.51
CC[C@@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024729144	0	54	0.0	-63.45	418.15	2.59	-60.86
C[NH+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729180	0	48	0.0	-66.34	387.50	1.60	-64.74
CN1C=C[N+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024729181	0	50	0.0	-64.26	418.72	5.12	-59.14
C[N@@H+]1CCCC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729184	0	55	0.0	-67.01	432.04	3.23	-63.78
C[N@H+]1CCCC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729184	1	55	0.0	-62.22	425.81	3.43	-58.79
CC(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024729191	1	52	0.0	-64.11	417.50	2.54	-61.57
C[NH+](C)CC(C)(C)C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729194	0	57	0.0	-64.33	436.63	3.47	-60.86
C[N@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024729201	0	52	0.0	-63.61	416.89	3.02	-60.59
C[N@@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024729201	1	52	0.0	-63.59	416.90	3.01	-60.58
C[NH+]1CC(CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729212	0	52	0.0	-67.98	418.93	2.43	-65.55
C[C@@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024729224	0	51	0.0	-64.32	405.60	2.00	-62.32
[N-]=[N+]=NCC(=O)NCC1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024729231	0	42	0.0	-22.25	364.51	-2.80	-25.05
C[C@@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024729262	0	51	0.0	-64.32	405.60	2.00	-62.32
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729265	0	55	0.0	-63.68	420.11	3.04	-60.64
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729265	1	55	0.0	-63.13	429.45	3.20	-59.93
O=C(C[NH+]1CCC1)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729292	1	49	0.0	-65.93	397.60	2.03	-63.90
C[N@@H+]1CCC(=CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729301	0	53	0.0	-71.04	425.32	3.15	-67.89
C[N@H+]1CCC(=CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729301	1	53	0.0	-71.07	425.35	3.17	-67.90
C[C@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024729319	0	51	0.0	-64.63	405.63	2.02	-62.61
CC1C[NH+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729335	1	52	0.0	-65.72	418.77	2.70	-63.02
C[N@H+](CCO)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729348	1	52	0.0	-66.33	415.51	-0.98	-67.31
C[N@@H+](CCO)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729348	1	52	0.0	-65.94	415.35	-0.96	-66.90
CC(CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024729360	0	57	0.0	-70.03	444.63	3.58	-66.45
CC[N@H+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729362	0	51	0.0	-65.35	405.28	2.26	-63.09
CC[N@@H+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729362	1	51	0.0	-65.38	405.21	2.28	-63.10
CC[N@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024729372	0	55	0.0	-62.39	436.63	3.64	-58.75
CC[N@@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024729372	1	55	0.0	-62.25	432.29	3.37	-58.88
CC[NH+](CC)CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729378	0	57	0.0	-66.65	441.10	3.24	-63.41
CC1(C)C[NH+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729386	1	55	0.0	-65.57	438.09	3.23	-62.34
C[NH+](C)CC=CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729393	0	52	0.0	-70.56	423.46	2.81	-67.75
CC(CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024729410	0	57	0.0	-68.69	440.84	3.34	-65.35
CC[N@@H+]1CCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729414	1	52	0.0	-63.62	412.29	2.33	-61.29
CC[N@H+]1CCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729414	1	52	0.0	-64.11	410.61	2.14	-61.97
C=CCC(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024729435	0	55	0.0	-62.62	431.14	3.09	-59.53
O=C(C[NH+]1CC2CC2C1)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729443	0	53	0.0	-65.33	422.01	3.45	-61.88
CCCC(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024729448	0	57	0.0	-64.87	439.50	3.36	-61.51
C[NH+](C)C(C)(C)C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729450	0	54	0.0	-64.55	414.74	2.78	-61.77
C[N@@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729460	0	55	0.0	-62.67	429.46	3.19	-59.48
C[N@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729460	1	55	0.0	-63.69	420.14	3.03	-60.66
C[NH+](C)C1(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024729496	0	52	0.0	-66.09	409.70	2.98	-63.11
O=C(CC[NH+]1CCCC1)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729497	0	55	0.0	-66.80	435.81	3.34	-63.46
C[N@@H+]1CC2CC1(C(=O)NCC1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024729507	0	53	0.0	-64.21	418.09	2.84	-61.37
C[N@H+]1CC2CC1(C(=O)NCC1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024729507	1	53	0.0	-64.80	418.30	2.71	-62.09
CC(C[NH+](C)C)C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729542	0	54	0.0	-67.53	425.87	2.88	-64.65
CC(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024729562	1	55	0.0	-63.18	435.11	3.34	-59.84
CC1CC[N@@H+]1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729563	1	52	0.0	-63.86	413.26	2.42	-61.44
CC1CC[N@H+]1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729563	1	52	0.0	-64.50	418.81	2.69	-61.81
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729594	0	55	0.0	-67.14	437.19	3.33	-63.81
CC(CC[NH+](C)C)C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729595	0	57	0.0	-68.75	447.54	3.49	-65.26
C[N@@H+]1CCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729764	0	52	0.0	-69.64	409.09	2.28	-67.36
C[N@H+]1CCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729764	1	52	0.0	-70.42	409.03	2.34	-68.08
C[N@@H+]1CCOC(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729790	1	53	0.0	-85.58	420.12	1.75	-83.83
C[N@H+]1CCOC(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729790	1	53	0.0	-76.17	413.34	1.59	-74.58
C[N@@H+]1CCC(CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729940	0	55	0.0	-76.83	433.56	3.17	-73.66
C[N@H+]1CCC(CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024729940	1	55	0.0	-75.82	433.98	3.19	-72.63
CCC(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024729943	0	54	0.0	-69.61	411.90	2.30	-67.31
C[NH+](C)CCCCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729953	0	57	0.0	-76.58	452.60	3.68	-72.90
CC(C)C(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024729956	0	57	0.0	-71.85	430.13	3.04	-68.81
CCC[N@H+](C)CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729957	0	57	0.0	-76.53	448.86	3.52	-73.01
CCC[N@@H+](C)CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729957	1	57	0.0	-76.55	448.84	3.51	-73.04
CCC[N@H+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729958	0	54	0.0	-73.60	426.48	2.92	-70.68
CCC[N@@H+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024729958	1	54	0.0	-73.62	426.49	2.93	-70.69
C[NH+](C)CC1(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024729997	0	55	0.0	-74.58	435.69	3.12	-71.46
CC[N@H+](C)CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730003	0	54	0.0	-75.67	427.36	2.78	-72.89
CC[N@@H+](C)CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730003	1	54	0.0	-75.62	427.36	2.78	-72.84
C[NH+]1CCC(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024730025	0	55	0.0	-74.66	431.15	3.08	-71.58
CC(C)[C@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024730040	0	57	0.0	-71.94	425.76	3.08	-68.86
C[NH+](C)C1(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024730062	0	55	0.0	-76.28	412.01	2.45	-73.83
CC1CCC[N@@H+]1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730086	0	55	0.0	-70.63	432.24	3.20	-67.43
CC1CCC[N@H+]1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730086	1	55	0.0	-70.72	432.42	3.29	-67.43
CC(C)[C@@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024730097	0	57	0.0	-71.74	429.97	3.04	-68.70
CC1CC[N@H+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024730105	0	55	0.0	-72.55	432.62	3.20	-69.35
CC1CC[N@@H+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024730105	1	55	0.0	-72.89	433.31	3.24	-69.65
CC[C@@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024730107	0	54	0.0	-71.78	417.73	2.56	-69.22
CC1=[NH+]C=CN1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730144	1	50	0.0	-68.74	416.86	3.12	-65.62
CC1=C[NH+]=CN1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730162	1	50	0.0	-71.40	417.25	3.85	-67.55
C[C@@H]1[C@H](C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024730163	0	55	0.0	-76.04	422.54	3.01	-73.03
C[C@@H]1[C@H](C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024730163	1	55	0.0	-77.06	428.61	2.78	-74.28
C[N@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024730193	0	55	0.0	-71.22	433.36	3.50	-67.72
C[N@@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024730193	1	55	0.0	-71.59	433.50	3.50	-68.09
C[NH+]1CCC(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024730199	0	55	0.0	-74.66	431.15	3.08	-71.58
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730212	0	52	0.0	-73.12	406.25	2.04	-71.08
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730212	1	52	0.0	-70.47	409.06	2.34	-68.13
C[N@@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730255	0	55	0.0	-70.87	416.65	2.62	-68.25
C[N@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730255	1	55	0.0	-69.38	426.57	3.04	-66.34
CC1C(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024730284	0	55	0.0	-73.01	429.75	2.84	-70.17
CC1C(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024730284	1	55	0.0	-74.80	423.76	2.49	-72.31
C[C@@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024730325	0	51	0.0	-71.52	403.69	1.89	-69.63
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024730343	0	55	0.0	-75.22	435.59	3.29	-71.93
C[N@H+](CCO)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730348	1	52	0.0	-74.18	415.34	-1.05	-75.23
C[N@@H+](CCO)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730348	1	52	0.0	-73.94	415.12	-1.07	-75.01
CC1C[NH+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024730391	1	52	0.0	-73.73	418.60	2.60	-71.13
CC[N@H+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730423	0	51	0.0	-73.25	404.98	2.17	-71.08
CC[N@@H+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730423	1	51	0.0	-73.27	404.99	2.19	-71.08
CC(CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024730476	0	57	0.0	-78.58	440.91	3.29	-75.29
CC[N@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024730481	0	55	0.0	-69.75	435.86	3.54	-66.21
CC[N@@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024730481	1	55	0.0	-70.56	433.64	3.54	-67.02
C[N@@H+]1CC2CC1(C(=O)N1CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024730494	0	53	0.0	-75.14	414.05	2.66	-72.48
C[N@H+]1CC2CC1(C(=O)N1CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024730494	1	53	0.0	-74.41	414.19	2.42	-71.99
CC(C[NH+](C)C)C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730503	0	54	0.0	-70.31	423.66	2.58	-67.73
C[NH+](C)C1(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024730509	0	52	0.0	-75.40	409.36	1.99	-73.41
C[C@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024730519	0	51	0.0	-71.65	402.61	1.83	-69.82
CC[N@@H+]1CCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730522	1	52	0.0	-71.63	408.84	2.07	-69.56
CC[N@H+]1CCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730522	1	52	0.0	-70.76	410.41	2.13	-68.63
NC1=CC=[NH+]C=C1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730533	0	48	0.0	-74.33	398.46	-0.55	-74.88
CCCC(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024730537	0	57	0.0	-70.90	436.83	3.20	-67.70
C[NH+](C)C(C)(C)C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730540	0	54	0.0	-74.42	407.04	2.03	-72.39
CC(CC[NH+](C)C)C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730549	0	57	0.0	-75.71	446.59	3.26	-72.45
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024730608	0	53	0.0	-73.61	422.72	3.40	-70.21
C[N@@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730616	0	55	0.0	-70.87	416.65	2.62	-68.25
C[N@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730616	1	55	0.0	-69.38	426.57	3.04	-66.34
C[N@@H+]1CCC(=CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024730641	0	53	0.0	-76.13	425.29	3.05	-73.08
C[N@H+]1CCC(=CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024730641	1	53	0.0	-76.33	425.26	3.05	-73.28
[N-]=[N+]=NCC(=O)N1CCCC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024730648	0	42	0.0	-23.66	364.45	-2.90	-26.56
CCC1C[NH+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024730664	0	55	0.0	-74.73	439.95	3.37	-71.36
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730669	0	52	0.0	-70.71	412.44	2.41	-68.30
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730669	1	52	0.0	-72.27	405.77	2.04	-70.23
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024730709	0	55	0.0	-74.83	436.17	3.24	-71.59
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024730750	0	55	0.0	-73.04	429.00	3.38	-69.66
C[N@@H+]1CCCC(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024730751	0	55	0.0	-80.29	431.40	3.06	-77.23
C[N@H+]1CCCC(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024730751	1	55	0.0	-71.08	423.56	3.23	-67.85
CN1C=C[N+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024730752	0	50	0.0	-69.90	418.65	5.00	-64.90
C[N@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024730762	0	52	0.0	-70.35	416.51	2.90	-67.45
C[N@@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024730762	1	52	0.0	-71.03	416.66	2.92	-68.11
CC(CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024730770	0	57	0.0	-75.80	444.42	3.57	-72.23
C[NH+]1CC(CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024730819	0	52	0.0	-75.19	418.36	2.29	-72.90
C[NH+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730826	0	48	0.0	-73.95	387.26	1.51	-72.44
C[C@@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024730834	0	51	0.0	-71.52	403.69	1.89	-69.63
CC(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024730848	0	55	0.0	-71.55	435.31	3.08	-68.47
CC1CC[N@@H+]1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730849	1	52	0.0	-72.39	418.57	2.59	-69.80
CC1CC[N@H+]1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730849	1	52	0.0	-71.26	413.69	2.40	-68.86
C[NH+](C)CC=CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730851	0	52	0.0	-78.03	423.55	2.76	-75.27
CC1(C)C[NH+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024730855	1	55	0.0	-73.95	437.87	3.12	-70.83
CC[NH+](CC)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730868	0	54	0.0	-71.64	423.21	2.86	-68.78
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024730873	1	49	0.0	-73.82	397.62	1.97	-71.85
CC[NH+](CC)CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730891	0	57	0.0	-74.67	445.21	3.48	-71.19
CC(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024730919	1	52	0.0	-70.96	406.11	2.06	-68.90
C[NH+](C)CC(C)(C)C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730923	0	57	0.0	-68.52	424.65	2.70	-65.82
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730943	0	55	0.0	-72.79	419.90	2.74	-70.05
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730943	1	55	0.0	-69.62	427.04	3.05	-66.57
C=CCC(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024730962	0	55	0.0	-69.28	428.55	2.90	-66.38
NC(=[NH2+])SCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024730985	0	46	0.0	-67.22	396.02	-1.53	-68.75
CCC1C[NH+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731040	1	55	0.0	-66.41	440.03	3.49	-62.92
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731044	0	52	0.0	-63.37	413.37	2.65	-60.72
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731044	1	52	0.0	-64.38	407.45	2.15	-62.23
O=C(C[NH+]1CCCCC1)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731051	0	55	0.0	-64.95	429.59	3.50	-61.45
CC1C(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024731055	0	55	0.0	-66.71	429.54	3.09	-63.62
CC1C(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024731055	1	55	0.0	-67.45	425.13	2.80	-64.65
C[N@@H+]1CCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731262	0	52	0.0	-69.64	409.09	2.28	-67.36
C[N@H+]1CCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731262	1	52	0.0	-70.42	409.03	2.34	-68.08
C[N@@H+]1CCOC(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731286	1	53	0.0	-85.58	420.12	1.75	-83.83
C[N@H+]1CCOC(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731286	1	53	0.0	-76.17	413.34	1.59	-74.58
CC1=[NH+]C=CN1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731425	1	50	0.0	-68.74	416.86	3.12	-65.62
C[C@@H]1[C@H](C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024731443	0	55	0.0	-76.04	422.54	3.01	-73.03
C[C@@H]1[C@H](C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024731443	1	55	0.0	-77.06	428.61	2.78	-74.28
C[NH+](C)C1(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024731463	0	55	0.0	-76.28	412.01	2.45	-73.83
CC(C)[C@@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024731465	0	57	0.0	-71.74	429.97	3.04	-68.70
C[N@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024731474	0	55	0.0	-71.22	433.36	3.50	-67.72
C[N@@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024731474	1	55	0.0	-71.59	433.50	3.50	-68.09
C[NH+]1CCC(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024731498	0	55	0.0	-74.66	431.15	3.08	-71.58
C[N@@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731504	0	55	0.0	-70.87	416.65	2.62	-68.25
C[N@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731504	1	55	0.0	-69.38	426.57	3.04	-66.34
CC1=C[NH+]=CN1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731521	1	50	0.0	-71.40	417.25	3.85	-67.55
C[N@@H+]1CCC(CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731531	0	55	0.0	-76.83	433.56	3.17	-73.66
C[N@H+]1CCC(CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731531	1	55	0.0	-75.82	433.98	3.19	-72.63
CCC(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024731534	0	54	0.0	-69.61	411.90	2.30	-67.31
C[NH+](C)CCCCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731548	0	57	0.0	-76.58	452.60	3.68	-72.90
CC(C)C(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024731551	0	57	0.0	-71.85	430.13	3.04	-68.81
CCC[N@H+](C)CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731552	0	57	0.0	-76.53	448.86	3.52	-73.01
CCC[N@@H+](C)CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731552	1	57	0.0	-76.55	448.84	3.51	-73.04
CCC[N@H+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731553	0	54	0.0	-73.60	426.48	2.92	-70.68
CCC[N@@H+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731553	1	54	0.0	-73.62	426.49	2.93	-70.69
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731568	0	52	0.0	-73.12	406.25	2.04	-71.08
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731568	1	52	0.0	-70.47	409.06	2.34	-68.13
CC[NH+](CC)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731580	0	54	0.0	-71.64	423.21	2.86	-68.78
C[NH+](C)CC1(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024731634	0	55	0.0	-74.58	435.69	3.12	-71.46
C[NH+]1CCC(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024731656	0	55	0.0	-74.66	431.15	3.08	-71.58
CC(C)[C@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024731671	0	57	0.0	-71.94	425.76	3.08	-68.86
CC[N@H+](C)CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731698	0	54	0.0	-75.67	427.36	2.78	-72.89
CC[N@@H+](C)CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731698	1	54	0.0	-75.62	427.36	2.78	-72.84
CC1CCC[N@@H+]1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731708	0	55	0.0	-70.63	432.24	3.20	-67.43
CC1CCC[N@H+]1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731708	1	55	0.0	-70.72	432.42	3.29	-67.43
CC1CC[N@H+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731709	0	55	0.0	-72.55	432.62	3.20	-69.35
CC1CC[N@@H+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731709	1	55	0.0	-72.89	433.31	3.24	-69.65
CC[C@@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024731711	0	54	0.0	-71.78	417.73	2.56	-69.22
C[NH+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731747	0	48	0.0	-73.95	387.26	1.51	-72.44
CN1C=C[N+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024731748	0	50	0.0	-69.90	418.65	5.00	-64.90
C[N@@H+]1CCCC(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731751	0	55	0.0	-80.29	431.40	3.06	-77.23
C[N@H+]1CCCC(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731751	1	55	0.0	-71.08	423.56	3.23	-67.85
CC(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024731758	1	52	0.0	-70.96	406.11	2.06	-68.90
C[NH+](C)CC(C)(C)C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731761	0	57	0.0	-68.52	424.65	2.70	-65.82
C[N@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024731768	0	52	0.0	-70.35	416.51	2.90	-67.45
C[N@@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024731768	1	52	0.0	-71.03	416.66	2.92	-68.11
C[NH+]1CC(CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731779	0	52	0.0	-75.19	418.36	2.29	-72.90
C[C@@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024731791	0	51	0.0	-71.52	403.69	1.89	-69.63
[N-]=[N+]=NCC(=O)N1CCCC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024731798	0	42	0.0	-23.66	364.45	-2.90	-26.56
C[C@@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024731829	0	51	0.0	-71.52	403.69	1.89	-69.63
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731832	0	55	0.0	-72.79	419.90	2.74	-70.05
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731832	1	55	0.0	-69.62	427.04	3.05	-66.57
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024731859	1	49	0.0	-73.82	397.62	1.97	-71.85
C[N@@H+]1CCC(=CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731868	0	53	0.0	-76.13	425.29	3.05	-73.08
C[N@H+]1CCC(=CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731868	1	53	0.0	-76.33	425.26	3.05	-73.28
C[C@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024731886	0	51	0.0	-71.65	402.61	1.83	-69.82
CC1C[NH+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731902	1	52	0.0	-73.73	418.60	2.60	-71.13
C[N@H+](CCO)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731915	1	52	0.0	-74.18	415.34	-1.05	-75.23
C[N@@H+](CCO)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731915	1	52	0.0	-73.94	415.12	-1.07	-75.01
CC(CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024731927	0	57	0.0	-75.80	444.42	3.57	-72.23
CC[N@H+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731929	0	51	0.0	-73.25	404.98	2.17	-71.08
CC[N@@H+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731929	1	51	0.0	-73.27	404.99	2.19	-71.08
CC[N@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024731939	0	55	0.0	-69.75	435.86	3.54	-66.21
CC[N@@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024731939	1	55	0.0	-70.56	433.64	3.54	-67.02
CC[NH+](CC)CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731945	0	57	0.0	-74.67	445.21	3.48	-71.19
CC1(C)C[NH+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024731953	1	55	0.0	-73.95	437.87	3.12	-70.83
C[NH+](C)CC=CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731960	0	52	0.0	-78.03	423.55	2.76	-75.27
CC(CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024731977	0	57	0.0	-78.58	440.91	3.29	-75.29
CC[N@@H+]1CCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731981	1	52	0.0	-71.63	408.84	2.07	-69.56
CC[N@H+]1CCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024731981	1	52	0.0	-70.76	410.41	2.13	-68.63
C=CCC(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024732002	0	55	0.0	-69.28	428.55	2.90	-66.38
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024732010	0	53	0.0	-73.61	422.72	3.40	-70.21
CCCC(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024732015	0	57	0.0	-70.90	436.83	3.20	-67.70
C[NH+](C)C(C)(C)C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732017	0	54	0.0	-74.42	407.04	2.03	-72.39
C[N@@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732027	0	55	0.0	-70.87	416.65	2.62	-68.25
C[N@H+]1CCCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732027	1	55	0.0	-69.38	426.57	3.04	-66.34
C[NH+](C)C1(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024732063	0	52	0.0	-75.40	409.36	1.99	-73.41
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024732064	0	55	0.0	-75.22	435.59	3.29	-71.93
C[N@@H+]1CC2CC1(C(=O)N1CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024732074	0	53	0.0	-75.14	414.05	2.66	-72.48
C[N@H+]1CC2CC1(C(=O)N1CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024732074	1	53	0.0	-74.41	414.19	2.42	-71.99
CC(C[NH+](C)C)C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732109	0	54	0.0	-70.31	423.66	2.58	-67.73
CC(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024732129	0	55	0.0	-71.55	435.31	3.08	-68.47
CC1CC[N@@H+]1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732130	1	52	0.0	-72.39	418.57	2.59	-69.80
CC1CC[N@H+]1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732130	1	52	0.0	-71.26	413.69	2.40	-68.86
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024732161	0	55	0.0	-74.83	436.17	3.24	-71.59
CC(CC[NH+](C)C)C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732162	0	57	0.0	-75.71	446.59	3.26	-72.45
C[N@@H+]1CCCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732331	0	52	0.0	-64.45	407.50	2.15	-62.30
C[N@H+]1CCCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732331	1	52	0.0	-63.25	413.28	2.64	-60.61
C[N@@H+]1CCOC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024732357	1	53	0.0	-72.31	424.87	2.06	-70.25
C[N@H+]1CCOC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024732357	1	53	0.0	-72.31	424.88	2.06	-70.25
C[N@@H+]1CCC(CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024732507	0	55	0.0	-69.30	434.01	3.20	-66.10
C[N@H+]1CCC(CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024732507	1	55	0.0	-68.82	433.78	3.21	-65.61
CCC(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024732510	0	54	0.0	-63.42	417.90	2.61	-60.81
C[NH+](C)CCCCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732520	0	57	0.0	-69.72	452.86	3.75	-65.97
CC(C)C(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024732523	0	57	0.0	-64.45	436.55	3.86	-60.59
CCC[N@H+](C)CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732524	0	57	0.0	-67.99	449.08	3.56	-64.43
CCC[N@@H+](C)CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732524	1	57	0.0	-67.97	449.03	3.55	-64.42
CCC[N@H+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732525	0	54	0.0	-65.74	426.71	3.01	-62.73
CCC[N@@H+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732525	1	54	0.0	-65.73	426.71	3.01	-62.72
C[NH+](C)CC1(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024732564	0	55	0.0	-67.10	439.23	3.37	-63.73
CC[N@H+](C)CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732570	0	54	0.0	-67.35	427.58	2.81	-64.54
CC[N@@H+](C)CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732570	1	54	0.0	-67.39	427.58	2.83	-64.56
C[NH+]1CCC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024732592	0	55	0.0	-69.44	432.05	3.26	-66.18
CC(C)[C@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024732607	0	57	0.0	-63.91	434.24	3.48	-60.43
C[NH+](C)C1(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024732629	0	55	0.0	-66.18	421.61	2.75	-63.43
CC1CCC[N@@H+]1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732653	0	55	0.0	-62.65	433.46	3.25	-59.40
CC1CCC[N@H+]1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732653	1	55	0.0	-62.93	432.66	3.37	-59.56
CC(C)[C@@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024732664	0	57	0.0	-63.26	431.71	3.15	-60.11
CC1CC[N@H+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024732672	0	55	0.0	-64.67	433.74	3.25	-61.42
CC1CC[N@@H+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024732672	1	55	0.0	-64.76	433.80	3.25	-61.51
CC[C@@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024732674	0	54	0.0	-63.45	418.15	2.59	-60.86
CC1=[NH+]C=CN1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732711	1	50	0.0	-63.38	416.86	3.21	-60.17
CC1=C[NH+]=CN1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732729	1	50	0.0	-65.85	416.20	3.91	-61.94
C[C@@H]1[C@H](C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024732730	0	55	0.0	-66.75	424.99	2.84	-63.91
C[C@@H]1[C@H](C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024732730	1	55	0.0	-66.13	429.57	3.11	-63.02
C[N@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024732760	0	55	0.0	-63.87	433.58	3.59	-60.28
C[N@@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024732760	1	55	0.0	-64.07	433.67	3.59	-60.48
C[NH+]1CCC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024732766	0	55	0.0	-69.44	432.05	3.26	-66.18
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732779	0	52	0.0	-64.41	407.49	2.15	-62.26
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732779	1	52	0.0	-63.19	413.82	2.67	-60.52
C[N@@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732822	0	55	0.0	-62.67	429.46	3.19	-59.48
C[N@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732822	1	55	0.0	-63.69	420.14	3.03	-60.66
CC1C(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024732851	0	55	0.0	-66.71	429.54	3.09	-63.62
CC1C(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024732851	1	55	0.0	-67.45	425.13	2.80	-64.65
C[C@@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024732892	0	51	0.0	-64.32	405.60	2.00	-62.32
O=C(CC[NH+]1CCCC1)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732910	0	55	0.0	-66.80	435.81	3.34	-63.46
C[N@H+](CCO)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732915	1	52	0.0	-66.33	415.51	-0.98	-67.31
C[N@@H+](CCO)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732915	1	52	0.0	-65.94	415.35	-0.96	-66.90
CC1C[NH+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024732958	1	52	0.0	-65.72	418.77	2.70	-63.02
CC[N@H+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732990	0	51	0.0	-65.35	405.28	2.26	-63.09
CC[N@@H+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024732990	1	51	0.0	-65.38	405.21	2.28	-63.10
CC(CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024733043	0	57	0.0	-68.69	440.84	3.34	-65.35
CC[N@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024733048	0	55	0.0	-62.39	436.63	3.64	-58.75
CC[N@@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024733048	1	55	0.0	-62.25	432.29	3.37	-58.88
C[N@@H+]1CC2CC1(C(=O)NCC1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024733061	0	53	0.0	-64.21	418.09	2.84	-61.37
C[N@H+]1CC2CC1(C(=O)NCC1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024733061	1	53	0.0	-64.80	418.30	2.71	-62.09
CC(C[NH+](C)C)C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733070	0	54	0.0	-67.53	425.87	2.88	-64.65
C[NH+](C)C1(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024733076	0	52	0.0	-66.09	409.70	2.98	-63.11
C[C@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024733086	0	51	0.0	-64.63	405.63	2.02	-62.61
CC[N@@H+]1CCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733089	1	52	0.0	-63.62	412.29	2.33	-61.29
CC[N@H+]1CCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733089	1	52	0.0	-64.11	410.61	2.14	-61.97
NC1=CC=[NH+]C=C1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733100	0	48	0.0	-64.32	395.96	0.08	-64.24
CCCC(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024733104	0	57	0.0	-64.87	439.50	3.36	-61.51
C[NH+](C)C(C)(C)C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733107	0	54	0.0	-64.55	414.74	2.78	-61.77
CC(CC[NH+](C)C)C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733116	0	57	0.0	-68.75	447.54	3.49	-65.26
O=C(C[NH+]1CC2CC2C1)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733175	0	53	0.0	-65.33	422.01	3.45	-61.88
C[N@@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733183	0	55	0.0	-62.67	429.46	3.19	-59.48
C[N@H+]1CCCCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733183	1	55	0.0	-63.69	420.14	3.03	-60.66
C[N@@H+]1CCC(=CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024733208	0	53	0.0	-71.04	425.32	3.15	-67.89
C[N@H+]1CCC(=CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024733208	1	53	0.0	-71.07	425.35	3.17	-67.90
[N-]=[N+]=NCC(=O)NCC1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024733215	0	42	0.0	-22.25	364.51	-2.80	-25.05
CCC1C[NH+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024733231	1	55	0.0	-66.41	440.03	3.49	-62.92
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733236	0	52	0.0	-63.37	413.37	2.65	-60.72
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733236	1	52	0.0	-64.38	407.45	2.15	-62.23
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024733276	0	55	0.0	-67.14	437.19	3.33	-63.81
O=C(C[NH+]1CCCCC1)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733317	0	55	0.0	-64.95	429.59	3.50	-61.45
C[N@@H+]1CCCC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024733318	0	55	0.0	-67.01	432.04	3.23	-63.78
C[N@H+]1CCCC(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024733318	1	55	0.0	-62.22	425.81	3.43	-58.79
CN1C=C[N+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024733319	0	50	0.0	-64.26	418.72	5.12	-59.14
C[N@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024733329	0	52	0.0	-63.61	416.89	3.02	-60.59
C[N@@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024733329	1	52	0.0	-63.59	416.90	3.01	-60.58
CC(CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024733337	0	57	0.0	-70.03	444.63	3.58	-66.45
C[NH+]1CC(CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024733386	0	52	0.0	-67.98	418.93	2.43	-65.55
C[NH+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733393	0	48	0.0	-66.34	387.50	1.60	-64.74
C[C@@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024733401	0	51	0.0	-64.32	405.60	2.00	-62.32
CC(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024733415	1	55	0.0	-63.18	435.11	3.34	-59.84
CC1CC[N@@H+]1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733416	1	52	0.0	-63.86	413.26	2.42	-61.44
CC1CC[N@H+]1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733416	1	52	0.0	-64.50	418.81	2.69	-61.81
C[NH+](C)CC=CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733418	0	52	0.0	-70.56	423.46	2.81	-67.75
CC1(C)C[NH+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024733422	1	55	0.0	-65.57	438.09	3.23	-62.34
CC[NH+](CC)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733435	0	54	0.0	-64.06	423.60	2.96	-61.10
O=C(C[NH+]1CCC1)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733440	1	49	0.0	-65.93	397.60	2.03	-63.90
CC[NH+](CC)CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733458	0	57	0.0	-66.65	441.10	3.24	-63.41
CC(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024733486	1	52	0.0	-64.11	417.50	2.54	-61.57
C[NH+](C)CC(C)(C)C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733490	0	57	0.0	-64.33	436.63	3.47	-60.86
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733510	0	55	0.0	-63.68	420.11	3.04	-60.64
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733510	1	55	0.0	-63.13	429.45	3.20	-59.93
C=CCC(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024733529	0	55	0.0	-62.62	431.14	3.09	-59.53
NC(=[NH2+])SCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733552	0	46	0.0	-75.69	395.35	-1.47	-77.16
CCC1C[NH+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024733607	0	55	0.0	-74.73	439.95	3.37	-71.36
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733611	0	52	0.0	-70.71	412.44	2.41	-68.30
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733611	1	52	0.0	-72.27	405.77	2.04	-70.23
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024733618	0	55	0.0	-73.04	429.00	3.38	-69.66
CC1C(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024733622	0	55	0.0	-73.01	429.75	2.84	-70.17
CC1C(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024733622	1	55	0.0	-74.80	423.76	2.49	-72.31
C[N@@H+]1CCCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024733829	0	52	0.0	-68.17	406.44	2.54	-65.63
C[N@H+]1CCCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024733829	1	52	0.0	-57.57	404.26	3.55	-54.02
C[N@@H+]1CCOC(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733853	1	53	0.0	-76.91	410.32	1.90	-75.01
C[N@H+]1CCOC(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024733853	1	53	0.0	-76.32	410.51	1.87	-74.45
CC1=[NH+]C=CN1CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024733992	1	50	0.0	-68.71	410.22	3.19	-65.52
C[C@@H]1[C@H](C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024734010	0	55	0.0	-58.36	413.31	3.54	-54.82
C[C@@H]1[C@H](C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024734010	1	55	0.0	-75.00	422.21	3.20	-71.80
C[NH+](C)C1(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024734030	0	55	0.0	-79.64	414.14	3.75	-75.89
CC(C)[C@@H](C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024734032	0	57	0.0	-70.19	429.42	3.71	-66.48
C[N@H+](CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024734041	0	55	0.0	-55.43	425.24	4.51	-50.92
C[N@@H+](CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024734041	1	55	0.0	-69.58	427.10	3.54	-66.04
C[NH+]1CCC(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024734065	0	55	0.0	-79.94	424.89	3.22	-76.72
C[N@@H+]1CCCCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734071	0	55	0.0	-68.00	422.09	3.17	-64.83
C[N@H+]1CCCCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734071	1	55	0.0	-57.86	421.06	4.14	-53.72
CC1=C[NH+]=CN1CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734088	1	50	0.0	-55.80	408.79	4.86	-50.94
C[N@@H+]1CCC(CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024734098	0	55	0.0	-65.37	425.89	4.07	-61.30
C[N@H+]1CCC(CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024734098	1	55	0.0	-76.71	426.11	3.15	-73.56
CCC(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024734101	0	54	0.0	-53.21	409.17	3.58	-49.63
C[NH+](C)CCCCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734115	0	57	0.0	-64.80	444.39	4.65	-60.15
CC(C)C(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024734118	0	57	0.0	-51.71	424.20	4.49	-47.22
CCC[N@H+](C)CCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734119	0	57	0.0	-60.07	440.62	4.49	-55.58
CCC[N@@H+](C)CCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734119	1	57	0.0	-60.48	440.62	4.49	-55.99
CCC[N@H+](C)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734120	0	54	0.0	-71.66	420.20	2.97	-68.69
CCC[N@@H+](C)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734120	1	54	0.0	-56.40	418.25	3.95	-52.45
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734135	0	52	0.0	-71.31	400.54	2.08	-69.23
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734135	1	52	0.0	-68.85	406.65	2.62	-66.23
CC[NH+](CC)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734147	0	54	0.0	-54.63	410.21	3.62	-51.01
C[NH+](C)CC1(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024734201	0	55	0.0	-80.21	428.03	3.42	-76.79
C[NH+]1CCC(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024734223	0	55	0.0	-79.94	424.89	3.22	-76.72
CC(C)[C@H](C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024734238	0	57	0.0	-61.72	426.81	4.10	-57.62
CC[N@H+](C)CCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734265	0	54	0.0	-59.61	419.12	3.74	-55.87
CC[N@@H+](C)CCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734265	1	54	0.0	-59.91	419.12	3.74	-56.17
CC1CCC[N@@H+]1CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734275	0	55	0.0	-68.14	419.03	2.94	-65.20
CC1CCC[N@H+]1CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734275	1	55	0.0	-69.30	425.17	3.32	-65.98
CC1CC[N@H+](CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024734276	0	55	0.0	-70.55	427.05	3.22	-67.33
CC1CC[N@@H+](CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024734276	1	55	0.0	-57.46	425.02	4.20	-53.26
CC[C@@H](C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024734278	0	54	0.0	-54.68	409.91	3.55	-51.13
C[NH+](C)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734314	0	48	0.0	-57.35	379.02	2.53	-54.82
CN1C=C[N+](CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024734315	0	50	0.0	-70.05	412.21	5.07	-64.98
C[N@@H+]1CCCC(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024734318	0	55	0.0	-62.92	424.27	4.11	-58.81
C[N@H+]1CCCC(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024734318	1	55	0.0	-64.58	419.28	3.39	-61.19
CC(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024734325	1	52	0.0	-69.48	409.17	2.61	-66.87
C[NH+](C)CC(C)(C)C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734328	0	57	0.0	-49.56	424.57	4.23	-45.33
C[N@H+](CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024734335	0	52	0.0	-54.69	408.29	3.93	-50.76
C[N@@H+](CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024734335	1	52	0.0	-54.11	408.43	3.94	-50.17
C[NH+]1CC(CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024734346	0	52	0.0	-58.75	410.47	3.34	-55.41
C[C@@H](C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024734358	0	51	0.0	-70.41	399.00	1.93	-68.48
[N-]=[N+]=NCC(=O)NCC1CCCCN1C(=O)CSC1=NC(=O)NN1	REAL300024734365	0	42	0.0	-22.22	355.99	-1.88	-24.10
C[C@@H](C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024734396	0	51	0.0	-70.41	399.00	1.93	-68.48
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734399	0	55	0.0	-69.25	413.26	3.02	-66.23
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734399	1	55	0.0	-68.26	422.55	3.12	-65.14
O=C(C[NH+]1CCC1)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734426	1	49	0.0	-72.51	391.08	1.99	-70.52
C[N@@H+]1CCC(=CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024734435	0	53	0.0	-77.79	418.15	3.12	-74.67
C[N@H+]1CCC(=CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024734435	1	53	0.0	-77.80	418.15	3.13	-74.67
C[C@H](C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024734453	0	51	0.0	-70.63	398.73	1.97	-68.66
CC1C[NH+](CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024734469	1	52	0.0	-73.06	411.05	2.72	-70.34
C[N@H+](CCO)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734482	1	52	0.0	-56.23	407.11	-0.04	-56.27
C[N@@H+](CCO)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734482	1	52	0.0	-72.65	408.83	-1.02	-73.67
CC(CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024734494	0	57	0.0	-61.89	436.21	4.52	-57.37
CC[N@H+](C)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734496	0	51	0.0	-71.47	398.70	2.23	-69.24
CC[N@@H+](C)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734496	1	51	0.0	-56.21	396.76	3.19	-53.02
CC[N@H+](CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024734506	0	55	0.0	-53.76	427.62	4.55	-49.21
CC[N@@H+](CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024734506	1	55	0.0	-54.32	424.94	4.51	-49.81
CC[NH+](CC)CCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734512	0	57	0.0	-59.62	432.62	4.15	-55.47
C[NH+](C)CC=CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734527	0	52	0.0	-62.70	414.99	3.73	-58.97
CC(CCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024734544	0	57	0.0	-64.79	432.34	4.25	-60.54
CC[N@@H+]1CCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734548	1	52	0.0	-54.07	404.06	3.28	-50.79
CC[N@H+]1CCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734548	1	52	0.0	-56.16	410.67	3.55	-52.61
C=CCC(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024734569	0	55	0.0	-51.27	422.21	4.01	-47.26
O=C(C[NH+]1CC2CC2C1)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734577	0	53	0.0	-56.27	414.35	4.40	-51.87
CCCC(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024734582	0	57	0.0	-59.31	432.17	4.37	-54.94
C[NH+](C)C(C)(C)C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734584	0	54	0.0	-55.75	406.27	3.28	-52.47
C[N@@H+]1CCCCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734594	0	55	0.0	-68.00	422.09	3.17	-64.83
C[N@H+]1CCCCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734594	1	55	0.0	-57.86	421.06	4.14	-53.72
C[NH+](C)C1(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024734630	0	52	0.0	-79.10	403.06	3.09	-76.01
O=C(CC[NH+]1CCCC1)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734631	0	55	0.0	-59.00	427.36	4.25	-54.75
C[N@@H+]1CC2CC1(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024734641	0	53	0.0	-77.90	411.28	2.75	-75.15
C[N@H+]1CC2CC1(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024734641	1	53	0.0	-77.90	412.39	2.64	-75.26
CC(C[NH+](C)C)C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734676	0	54	0.0	-51.09	416.84	3.91	-47.18
CC(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024734696	1	55	0.0	-69.17	429.03	3.20	-65.97
CC1CC[N@@H+]1CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734697	1	52	0.0	-55.61	404.86	3.35	-52.26
CC1CC[N@H+]1CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734697	1	52	0.0	-71.15	412.12	2.66	-68.49
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024734728	0	55	0.0	-74.83	429.93	3.29	-71.54
CC(CC[NH+](C)C)C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024734729	0	57	0.0	-62.23	439.06	4.42	-57.81
C[N@@H+]1CCCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024734898	0	52	0.0	-70.99	399.53	1.98	-69.01
C[N@H+]1CCCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024734898	1	52	0.0	-69.43	398.74	2.03	-67.40
C[N@@H+]1CCC(CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735072	0	55	0.0	-73.86	427.14	3.10	-70.76
C[N@H+]1CCC(CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735072	1	55	0.0	-70.52	426.02	4.05	-66.47
CCC(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024735075	0	54	0.0	-64.23	407.60	3.29	-60.94
C[NH+](C)CCCCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735084	0	57	0.0	-75.83	446.34	3.66	-72.17
CCC[N@H+](C)CCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735087	0	57	0.0	-70.53	440.62	4.45	-66.08
CCC[N@@H+](C)CCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735087	1	57	0.0	-70.51	440.62	4.45	-66.06
CCC[N@H+](C)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735088	0	54	0.0	-72.25	420.28	2.87	-69.38
CCC[N@@H+](C)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735088	1	54	0.0	-72.17	420.20	2.87	-69.30
C[NH+](C)CC1(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024735118	0	55	0.0	-69.03	428.66	3.98	-65.05
CC[N@H+](C)CCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735123	0	54	0.0	-69.47	419.12	3.71	-65.76
CC[N@@H+](C)CCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735123	1	54	0.0	-69.53	419.12	3.71	-65.82
C[NH+]1CCC(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024735138	0	55	0.0	-71.84	422.36	3.96	-67.88
CC1CCC[N@@H+]1CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735176	0	55	0.0	-64.97	418.41	3.77	-61.20
CC1CCC[N@H+]1CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735176	1	55	0.0	-69.16	425.42	3.24	-65.92
CC1CC[N@H+](CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735191	0	55	0.0	-68.32	425.27	4.15	-64.17
CC1CC[N@@H+](CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735191	1	55	0.0	-71.45	425.73	3.20	-68.25
CC[C@@H](C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024735193	0	54	0.0	-64.35	406.95	3.29	-61.06
CC1=[NH+]C=CN1CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735227	1	50	0.0	-68.17	410.34	3.05	-65.12
CC1=C[NH+]=CN1CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735242	1	50	0.0	-70.74	409.75	3.76	-66.98
C[C@@H]1[C@H](C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024735243	0	55	0.0	-73.00	415.41	3.39	-69.61
C[C@@H]1[C@H](C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024735243	1	55	0.0	-72.24	419.16	3.92	-68.32
C[N@H+](CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024735266	0	55	0.0	-66.21	426.00	4.39	-61.82
C[N@@H+](CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024735266	1	55	0.0	-70.12	427.16	3.44	-66.68
C[NH+]1CCC(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024735272	0	55	0.0	-71.84	422.36	3.96	-67.88
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735282	0	52	0.0	-67.17	392.11	2.99	-64.18
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735282	1	52	0.0	-68.63	399.96	2.21	-66.42
CC1C(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024735342	0	55	0.0	-72.90	412.56	3.53	-69.37
CC1C(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024735342	1	55	0.0	-68.16	415.97	3.43	-64.73
C[C@@H](C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024735376	0	51	0.0	-66.54	393.89	2.75	-63.79
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)CC[NH+]1CCCC1	REAL300024735394	0	55	0.0	-74.00	429.30	3.25	-70.75
C[N@H+](CCO)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735399	1	52	0.0	-72.91	409.06	-1.10	-74.01
C[N@@H+](CCO)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735399	1	52	0.0	-73.01	408.91	-1.12	-74.13
CC1C[NH+](CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735438	1	52	0.0	-68.52	410.31	3.54	-64.98
CC[N@H+](C)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735463	0	51	0.0	-71.95	398.71	2.14	-69.81
CC[N@@H+](C)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735463	1	51	0.0	-71.91	398.77	2.14	-69.77
CC(CCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024735508	0	57	0.0	-66.39	436.72	4.19	-62.20
CC[N@H+](CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024735512	0	55	0.0	-67.06	420.18	3.98	-63.08
CC[N@@H+](CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024735512	1	55	0.0	-66.16	421.21	4.19	-61.97
CC(C[NH+](C)C)C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735531	0	54	0.0	-62.85	413.36	3.56	-59.29
C[C@H](C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024735543	0	51	0.0	-66.64	396.27	2.80	-63.84
CC[N@@H+]1CCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735546	1	52	0.0	-72.02	412.31	2.45	-69.57
CC[N@H+]1CCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735546	1	52	0.0	-71.53	410.85	2.40	-69.13
NC1=CC=[NH+]C=C1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735556	0	48	0.0	-70.88	390.50	0.35	-70.53
CCCC(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024735560	0	57	0.0	-65.08	429.09	4.06	-61.02
CC(CC[NH+](C)C)C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735570	0	57	0.0	-67.54	436.33	4.05	-63.49
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C[NH+]1CC2CC2C1	REAL300024735626	0	53	0.0	-72.84	416.28	3.32	-69.52
C[N@@H+]1CCCCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735633	0	55	0.0	-64.47	417.68	3.93	-60.54
C[N@H+]1CCCCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735633	1	55	0.0	-64.58	419.83	4.00	-60.58
C[N@@H+]1CCC(=CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735652	0	53	0.0	-68.86	416.23	4.01	-64.85
C[N@H+]1CCC(=CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735652	1	53	0.0	-67.91	416.23	4.02	-63.89
[N-]=[N+]=NCC(=O)N1CCCCC1CNC(=O)CSC1=NC(=O)NN1	REAL300024735657	0	42	0.0	-24.93	357.94	-2.94	-27.87
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735670	0	52	0.0	-64.88	403.74	3.21	-61.67
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735670	1	52	0.0	-70.84	399.05	1.99	-68.85
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735706	0	55	0.0	-74.13	430.00	3.22	-70.91
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C[NH+]1CCCCC1	REAL300024735740	0	55	0.0	-69.10	420.77	4.31	-64.79
C[N@@H+]1CCCC(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735741	0	55	0.0	-59.14	414.28	3.99	-55.15
C[N@H+]1CCCC(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735741	1	55	0.0	-69.28	422.44	3.88	-65.40
CN1C=C[N+](CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024735742	0	50	0.0	-69.43	412.21	4.98	-64.45
C[N@H+](CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024735751	0	52	0.0	-65.22	408.25	3.84	-61.38
C[N@@H+](CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024735751	1	52	0.0	-66.09	408.44	3.86	-62.23
CC(CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024735759	0	57	0.0	-78.81	437.88	3.51	-75.30
C[NH+]1CC(CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735799	0	52	0.0	-67.57	410.43	3.29	-64.28
C[NH+](C)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735806	0	48	0.0	-72.47	380.98	1.47	-71.00
C[C@@H](C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024735814	0	51	0.0	-66.54	393.89	2.75	-63.79
CC(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024735824	0	55	0.0	-65.77	420.61	3.60	-62.17
CC1CC[N@@H+]1CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735825	1	52	0.0	-66.07	404.83	3.26	-62.81
CC1CC[N@H+]1CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735825	1	52	0.0	-70.69	411.61	2.55	-68.14
C[NH+](C)CC=CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735826	0	52	0.0	-71.83	414.33	3.64	-68.19
CC1(C)C[NH+](CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735829	1	55	0.0	-72.80	431.20	3.06	-69.74
CC[NH+](CC)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735842	0	54	0.0	-70.37	412.11	2.54	-67.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C[NH+]1CCC1	REAL300024735847	1	49	0.0	-72.17	390.57	1.94	-70.23
CC[NH+](CC)CCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735861	0	57	0.0	-69.39	432.96	4.08	-65.31
CC(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024735882	1	52	0.0	-65.89	406.78	3.34	-62.55
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735900	0	55	0.0	-65.39	407.89	3.47	-61.92
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024735900	1	55	0.0	-64.52	419.90	4.00	-60.52
C=CCC(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024735916	0	55	0.0	-64.12	420.70	3.76	-60.36
NC(=[NH2+])SCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024735936	0	46	0.0	-60.41	387.55	-0.61	-61.02
CCC1C[NH+](CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024735991	1	55	0.0	-73.06	432.60	3.39	-69.67
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024735995	0	52	0.0	-68.16	406.59	2.51	-65.65
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024735995	1	52	0.0	-71.19	400.54	2.08	-69.11
O=C(C[NH+]1CCCCC1)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024736002	0	55	0.0	-55.79	420.75	4.39	-51.40
CC1C(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024736006	0	55	0.0	-54.76	419.86	3.76	-51.00
CC1C(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024736006	1	55	0.0	-58.21	413.21	3.55	-54.66
C[N@@H+]1CCCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736213	0	52	0.0	-70.99	399.53	1.98	-69.01
C[N@H+]1CCCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736213	1	52	0.0	-69.43	398.74	2.03	-67.40
CC1=[NH+]C=CN1CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736376	1	50	0.0	-68.17	410.34	3.05	-65.12
C[C@@H]1[C@H](C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024736394	0	55	0.0	-73.00	415.41	3.39	-69.61
C[C@@H]1[C@H](C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024736394	1	55	0.0	-72.24	419.16	3.92	-68.32
C[NH+](C)C1(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024736414	0	55	0.0	-73.50	411.58	3.51	-69.99
CC(C)[C@@H](C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024736416	0	57	0.0	-67.09	418.96	4.00	-63.09
C[N@H+](CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024736425	0	55	0.0	-66.21	426.00	4.39	-61.82
C[N@@H+](CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024736425	1	55	0.0	-70.12	427.16	3.44	-66.68
C[NH+]1CCC(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024736449	0	55	0.0	-71.84	422.36	3.96	-67.88
C[N@@H+]1CCCCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736455	0	55	0.0	-64.47	417.68	3.93	-60.54
C[N@H+]1CCCCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736455	1	55	0.0	-64.58	419.83	4.00	-60.58
CC1=C[NH+]=CN1CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736472	1	50	0.0	-70.74	409.75	3.76	-66.98
C[N@@H+]1CCC(CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024736482	0	55	0.0	-73.86	427.14	3.10	-70.76
C[N@H+]1CCC(CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024736482	1	55	0.0	-70.52	426.02	4.05	-66.47
CCC(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024736485	0	54	0.0	-64.23	407.60	3.29	-60.94
C[NH+](C)CCCCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736499	0	57	0.0	-75.83	446.34	3.66	-72.17
CC(C)C(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024736502	0	57	0.0	-66.08	419.59	4.19	-61.89
CCC[N@H+](C)CCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736503	0	57	0.0	-70.53	440.62	4.45	-66.08
CCC[N@@H+](C)CCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736503	1	57	0.0	-70.51	440.62	4.45	-66.06
CCC[N@H+](C)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736504	0	54	0.0	-72.25	420.28	2.87	-69.38
CCC[N@@H+](C)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736504	1	54	0.0	-72.17	420.20	2.87	-69.30
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736519	0	52	0.0	-67.17	392.11	2.99	-64.18
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736519	1	52	0.0	-68.63	399.96	2.21	-66.42
CC[NH+](CC)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736531	0	54	0.0	-70.37	412.11	2.54	-67.83
C[NH+](C)CC1(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024736585	0	55	0.0	-69.03	428.66	3.98	-65.05
C[NH+]1CCC(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024736607	0	55	0.0	-71.84	422.36	3.96	-67.88
CC(C)[C@H](C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024736622	0	57	0.0	-66.02	418.31	3.89	-62.13
CC[N@H+](C)CCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736649	0	54	0.0	-69.47	419.12	3.71	-65.76
CC[N@@H+](C)CCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736649	1	54	0.0	-69.53	419.12	3.71	-65.82
CC1CCC[N@@H+]1CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736659	0	55	0.0	-64.97	418.41	3.77	-61.20
CC1CCC[N@H+]1CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736659	1	55	0.0	-69.16	425.42	3.24	-65.92
CC1CC[N@H+](CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024736660	0	55	0.0	-68.32	425.27	4.15	-64.17
CC1CC[N@@H+](CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024736660	1	55	0.0	-71.45	425.73	3.20	-68.25
CC[C@@H](C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024736662	0	54	0.0	-64.35	406.95	3.29	-61.06
C[NH+](C)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736698	0	48	0.0	-72.47	380.98	1.47	-71.00
CN1C=C[N+](CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024736699	0	50	0.0	-69.43	412.21	4.98	-64.45
C[N@@H+]1CCCC(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024736702	0	55	0.0	-59.14	414.28	3.99	-55.15
C[N@H+]1CCCC(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024736702	1	55	0.0	-69.28	422.44	3.88	-65.40
CC(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024736709	1	52	0.0	-65.89	406.78	3.34	-62.55
C[NH+](C)CC(C)(C)C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736712	0	57	0.0	-67.88	421.38	3.57	-64.31
C[N@H+](CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024736719	0	52	0.0	-65.22	408.25	3.84	-61.38
C[N@@H+](CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024736719	1	52	0.0	-66.09	408.44	3.86	-62.23
C[NH+]1CC(CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024736730	0	52	0.0	-67.57	410.43	3.29	-64.28
C[C@@H](C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024736742	0	51	0.0	-66.54	393.89	2.75	-63.79
[N-]=[N+]=NCC(=O)N1CCCCC1CNC(=O)CSC1=NC(=O)NN1	REAL300024736749	0	42	0.0	-24.93	357.94	-2.94	-27.87
C[C@@H](C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024736780	0	51	0.0	-66.54	393.89	2.75	-63.79
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736783	0	55	0.0	-65.39	407.89	3.47	-61.92
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736783	1	55	0.0	-64.52	419.90	4.00	-60.52
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C[NH+]1CCC1	REAL300024736810	1	49	0.0	-72.17	390.57	1.94	-70.23
C[N@@H+]1CCC(=CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024736819	0	53	0.0	-68.86	416.23	4.01	-64.85
C[N@H+]1CCC(=CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024736819	1	53	0.0	-67.91	416.23	4.02	-63.89
C[C@H](C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024736837	0	51	0.0	-66.64	396.27	2.80	-63.84
CC1C[NH+](CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024736853	1	52	0.0	-68.52	410.31	3.54	-64.98
C[N@H+](CCO)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736866	1	52	0.0	-72.91	409.06	-1.10	-74.01
C[N@@H+](CCO)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736866	1	52	0.0	-73.01	408.91	-1.12	-74.13
CC(CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024736878	0	57	0.0	-78.81	437.88	3.51	-75.30
CC[N@H+](C)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736880	0	51	0.0	-71.95	398.71	2.14	-69.81
CC[N@@H+](C)CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736880	1	51	0.0	-71.91	398.77	2.14	-69.77
CC[N@H+](CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024736890	0	55	0.0	-67.06	420.18	3.98	-63.08
CC[N@@H+](CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024736890	1	55	0.0	-66.16	421.21	4.19	-61.97
CC[NH+](CC)CCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736896	0	57	0.0	-69.39	432.96	4.08	-65.31
CC1(C)C[NH+](CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024736904	1	55	0.0	-72.80	431.20	3.06	-69.74
C[NH+](C)CC=CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736911	0	52	0.0	-71.83	414.33	3.64	-68.19
CC(CCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024736928	0	57	0.0	-66.39	436.72	4.19	-62.20
CC[N@@H+]1CCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736932	1	52	0.0	-72.02	412.31	2.45	-69.57
CC[N@H+]1CCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736932	1	52	0.0	-71.53	410.85	2.40	-69.13
C=CCC(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024736953	0	55	0.0	-64.12	420.70	3.76	-60.36
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C[NH+]1CC2CC2C1	REAL300024736961	0	53	0.0	-72.84	416.28	3.32	-69.52
CCCC(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024736966	0	57	0.0	-65.08	429.09	4.06	-61.02
C[NH+](C)C(C)(C)C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736968	0	54	0.0	-72.77	400.27	2.93	-69.84
C[N@@H+]1CCCCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736978	0	55	0.0	-64.47	417.68	3.93	-60.54
C[N@H+]1CCCCC1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024736978	1	55	0.0	-64.58	419.83	4.00	-60.58
C[NH+](C)C1(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024737014	0	52	0.0	-72.78	403.19	3.24	-69.54
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)CC[NH+]1CCCC1	REAL300024737015	0	55	0.0	-74.00	429.30	3.25	-70.75
C[N@@H+]1CC2CC1(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024737025	0	53	0.0	-71.81	406.91	3.40	-68.41
C[N@H+]1CC2CC1(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024737025	1	53	0.0	-71.05	405.97	3.32	-67.73
CC(C[NH+](C)C)C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024737060	0	54	0.0	-62.85	413.36	3.56	-59.29
CC(C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024737080	0	55	0.0	-65.77	420.61	3.60	-62.17
CC1CC[N@@H+]1CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024737081	1	52	0.0	-66.07	404.83	3.26	-62.81
CC1CC[N@H+]1CC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024737081	1	52	0.0	-70.69	411.61	2.55	-68.14
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024737112	0	55	0.0	-74.13	430.00	3.22	-70.91
CC(CC[NH+](C)C)C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024737113	0	57	0.0	-67.54	436.33	4.05	-63.49
C[N@@H+]1CCCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737282	0	52	0.0	-68.17	406.44	2.54	-65.63
C[N@H+]1CCCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737282	1	52	0.0	-57.57	404.26	3.55	-54.02
C[N@@H+]1CCOC(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024737308	1	53	0.0	-76.91	410.32	1.90	-75.01
C[N@H+]1CCOC(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024737308	1	53	0.0	-76.32	410.51	1.87	-74.45
C[N@@H+]1CCC(CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024737458	0	55	0.0	-65.37	425.89	4.07	-61.30
C[N@H+]1CCC(CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024737458	1	55	0.0	-76.71	426.11	3.15	-73.56
CCC(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024737461	0	54	0.0	-53.21	409.17	3.58	-49.63
C[NH+](C)CCCCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737471	0	57	0.0	-64.80	444.39	4.65	-60.15
CC(C)C(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024737474	0	57	0.0	-51.71	424.20	4.49	-47.22
CCC[N@H+](C)CCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737475	0	57	0.0	-60.07	440.62	4.49	-55.58
CCC[N@@H+](C)CCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737475	1	57	0.0	-60.48	440.62	4.49	-55.99
CCC[N@H+](C)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737476	0	54	0.0	-71.66	420.20	2.97	-68.69
CCC[N@@H+](C)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737476	1	54	0.0	-56.40	418.25	3.95	-52.45
C[NH+](C)CC1(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024737515	0	55	0.0	-80.21	428.03	3.42	-76.79
CC[N@H+](C)CCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737521	0	54	0.0	-59.61	419.12	3.74	-55.87
CC[N@@H+](C)CCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737521	1	54	0.0	-59.91	419.12	3.74	-56.17
C[NH+]1CCC(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024737543	0	55	0.0	-79.94	424.89	3.22	-76.72
CC(C)[C@H](C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024737558	0	57	0.0	-61.72	426.81	4.10	-57.62
C[NH+](C)C1(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024737580	0	55	0.0	-79.64	414.14	3.75	-75.89
CC1CCC[N@@H+]1CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737604	0	55	0.0	-68.14	419.03	2.94	-65.20
CC1CCC[N@H+]1CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737604	1	55	0.0	-69.30	425.17	3.32	-65.98
CC(C)[C@@H](C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024737615	0	57	0.0	-70.19	429.42	3.71	-66.48
CC1CC[N@H+](CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024737623	0	55	0.0	-70.55	427.05	3.22	-67.33
CC1CC[N@@H+](CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024737623	1	55	0.0	-57.46	425.02	4.20	-53.26
CC[C@@H](C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024737625	0	54	0.0	-54.68	409.91	3.55	-51.13
CC1=[NH+]C=CN1CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737662	1	50	0.0	-68.71	410.22	3.19	-65.52
CC1=C[NH+]=CN1CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737680	1	50	0.0	-55.80	408.79	4.86	-50.94
C[C@@H]1[C@H](C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024737681	0	55	0.0	-58.36	413.31	3.54	-54.82
C[C@@H]1[C@H](C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024737681	1	55	0.0	-75.00	422.21	3.20	-71.80
C[N@H+](CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024737711	0	55	0.0	-55.43	425.24	4.51	-50.92
C[N@@H+](CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024737711	1	55	0.0	-69.58	427.10	3.54	-66.04
C[NH+]1CCC(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024737717	0	55	0.0	-79.94	424.89	3.22	-76.72
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737730	0	52	0.0	-71.31	400.54	2.08	-69.23
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737730	1	52	0.0	-68.85	406.65	2.62	-66.23
C[N@@H+]1CCCCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737773	0	55	0.0	-68.00	422.09	3.17	-64.83
C[N@H+]1CCCCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737773	1	55	0.0	-57.86	421.06	4.14	-53.72
CC1C(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024737802	0	55	0.0	-54.76	419.86	3.76	-51.00
CC1C(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024737802	1	55	0.0	-58.21	413.21	3.55	-54.66
C[C@@H](C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024737843	0	51	0.0	-70.41	399.00	1.93	-68.48
O=C(CC[NH+]1CCCC1)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737861	0	55	0.0	-59.00	427.36	4.25	-54.75
C[N@H+](CCO)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737866	1	52	0.0	-56.23	407.11	-0.04	-56.27
C[N@@H+](CCO)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737866	1	52	0.0	-72.65	408.83	-1.02	-73.67
CC1C[NH+](CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024737909	1	52	0.0	-73.06	411.05	2.72	-70.34
CC[N@H+](C)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737941	0	51	0.0	-71.47	398.70	2.23	-69.24
CC[N@@H+](C)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024737941	1	51	0.0	-56.21	396.76	3.19	-53.02
CC(CCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024737994	0	57	0.0	-64.79	432.34	4.25	-60.54
CC[N@H+](CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024737999	0	55	0.0	-53.76	427.62	4.55	-49.21
CC[N@@H+](CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024737999	1	55	0.0	-54.32	424.94	4.51	-49.81
C[N@@H+]1CC2CC1(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024738012	0	53	0.0	-77.90	411.28	2.75	-75.15
C[N@H+]1CC2CC1(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024738012	1	53	0.0	-77.90	412.39	2.64	-75.26
CC(C[NH+](C)C)C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738021	0	54	0.0	-51.09	416.84	3.91	-47.18
C[NH+](C)C1(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024738027	0	52	0.0	-79.10	403.06	3.09	-76.01
C[C@H](C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024738037	0	51	0.0	-70.63	398.73	1.97	-68.66
CC[N@@H+]1CCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738040	1	52	0.0	-54.07	404.06	3.28	-50.79
CC[N@H+]1CCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738040	1	52	0.0	-56.16	410.67	3.55	-52.61
NC1=CC=[NH+]C=C1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738051	0	48	0.0	-76.81	389.29	0.00	-76.81
CCCC(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024738055	0	57	0.0	-59.31	432.17	4.37	-54.94
C[NH+](C)C(C)(C)C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738058	0	54	0.0	-55.75	406.27	3.28	-52.47
CC(CC[NH+](C)C)C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738067	0	57	0.0	-62.23	439.06	4.42	-57.81
O=C(C[NH+]1CC2CC2C1)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738126	0	53	0.0	-56.27	414.35	4.40	-51.87
C[N@@H+]1CCCCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738134	0	55	0.0	-68.00	422.09	3.17	-64.83
C[N@H+]1CCCCC1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738134	1	55	0.0	-57.86	421.06	4.14	-53.72
C[N@@H+]1CCC(=CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738159	0	53	0.0	-77.79	418.15	3.12	-74.67
C[N@H+]1CCC(=CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738159	1	53	0.0	-77.80	418.15	3.13	-74.67
[N-]=[N+]=NCC(=O)NCC1CCCCN1C(=O)CSC1=NC(=O)NN1	REAL300024738166	0	42	0.0	-22.22	355.99	-1.88	-24.10
CCC1C[NH+](CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738182	1	55	0.0	-73.06	432.60	3.39	-69.67
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738187	0	52	0.0	-68.16	406.59	2.51	-65.65
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738187	1	52	0.0	-71.19	400.54	2.08	-69.11
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738227	0	55	0.0	-74.83	429.93	3.29	-71.54
O=C(C[NH+]1CCCCC1)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738268	0	55	0.0	-55.79	420.75	4.39	-51.40
C[N@@H+]1CCCC(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738269	0	55	0.0	-62.92	424.27	4.11	-58.81
C[N@H+]1CCCC(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738269	1	55	0.0	-64.58	419.28	3.39	-61.19
CN1C=C[N+](CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024738270	0	50	0.0	-70.05	412.21	5.07	-64.98
C[N@H+](CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024738280	0	52	0.0	-54.69	408.29	3.93	-50.76
C[N@@H+](CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024738280	1	52	0.0	-54.11	408.43	3.94	-50.17
CC(CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024738288	0	57	0.0	-61.89	436.21	4.52	-57.37
C[NH+]1CC(CC(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738337	0	52	0.0	-58.75	410.47	3.34	-55.41
C[NH+](C)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738344	0	48	0.0	-57.35	379.02	2.53	-54.82
C[C@@H](C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024738352	0	51	0.0	-70.41	399.00	1.93	-68.48
CC(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024738366	1	55	0.0	-69.17	429.03	3.20	-65.97
CC1CC[N@@H+]1CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738367	1	52	0.0	-55.61	404.86	3.35	-52.26
CC1CC[N@H+]1CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738367	1	52	0.0	-71.15	412.12	2.66	-68.49
C[NH+](C)CC=CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738369	0	52	0.0	-62.70	414.99	3.73	-58.97
CC[NH+](CC)CC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738386	0	54	0.0	-54.63	410.21	3.62	-51.01
O=C(C[NH+]1CCC1)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738391	1	49	0.0	-72.51	391.08	1.99	-70.52
CC[NH+](CC)CCC(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738409	0	57	0.0	-59.62	432.62	4.15	-55.47
CC(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024738437	1	52	0.0	-69.48	409.17	2.61	-66.87
C[NH+](C)CC(C)(C)C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738441	0	57	0.0	-49.56	424.57	4.23	-45.33
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738461	0	55	0.0	-69.25	413.26	3.02	-66.23
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738461	1	55	0.0	-68.26	422.55	3.12	-65.14
C=CCC(C(=O)NCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024738480	0	55	0.0	-51.27	422.21	4.01	-47.26
NC(=[NH2+])SCC(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024738503	0	46	0.0	-75.93	389.50	-1.57	-77.50
CCC1C[NH+](CC(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738558	0	55	0.0	-69.46	431.44	4.28	-65.18
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024738562	0	52	0.0	-64.88	403.74	3.21	-61.67
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024738562	1	52	0.0	-70.84	399.05	1.99	-68.85
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C[NH+]1CCCCC1	REAL300024738569	0	55	0.0	-69.10	420.77	4.31	-64.79
CC1C(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024738573	0	55	0.0	-72.90	412.56	3.53	-69.37
CC1C(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024738573	1	55	0.0	-68.16	415.97	3.43	-64.73
C[NH+](C)CC(=O)N1CCCCC1C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738653	0	55	0.0	-73.49	414.77	4.33	-69.16
[N-]=[N+]=NCC(=O)N1CCCCC1C1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300024738658	0	49	0.0	-19.56	385.88	-0.35	-19.91
[N-]=[N+]=NCC(=O)N1CCCC1C1CCCCN1C(=O)CSC1=NC(=O)NN1	REAL300024738718	0	49	0.0	-22.06	391.26	-0.04	-22.10
C[NH+](C)CC(=O)N1CCCC1C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024738724	0	55	0.0	-69.67	413.76	4.47	-65.20
CC(NC(=O)C1CCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738832	0	55	0.0	-64.75	419.45	2.67	-62.08
CC(NC(=O)C1CCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738832	1	55	0.0	-62.16	430.64	3.32	-58.84
CCC(C(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024738932	0	57	0.0	-62.96	430.19	3.13	-59.83
CCC[N@H+](C)CC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738937	0	57	0.0	-65.37	439.18	3.52	-61.85
CCC[N@@H+](C)CC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738937	1	57	0.0	-65.31	439.18	3.52	-61.79
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738945	0	55	0.0	-62.35	431.22	3.42	-58.93
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738945	1	55	0.0	-64.72	419.96	2.66	-62.06
CC[NH+](CC)CC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024738950	0	57	0.0	-63.64	431.54	3.20	-60.44
CC[N@H+](C)CCC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739006	0	57	0.0	-66.67	445.03	3.57	-63.10
CC[N@@H+](C)CCC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739006	1	57	0.0	-66.53	445.03	3.58	-62.95
CC[C@@H](C(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024739009	0	57	0.0	-63.37	435.59	3.36	-60.01
CC(NC(=O)C[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739027	0	51	0.0	-65.95	399.95	2.11	-63.84
CC(NC(=O)C(C)[NH+]1CCC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739031	1	55	0.0	-62.60	433.17	3.42	-59.18
CC(NC(=O)C[N@H+](C)C1CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739037	0	55	0.0	-63.00	434.31	3.76	-59.24
CC(NC(=O)C[N@@H+](C)C1CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739037	1	55	0.0	-62.91	429.21	3.52	-59.39
CC(NC(=O)CC1C[NH+](C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739043	0	55	0.0	-67.50	436.35	3.16	-64.34
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739050	0	54	0.0	-63.24	423.05	2.77	-60.47
CC(NC(=O)CN=[N+]=[N-])C1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024739053	0	45	0.0	-22.28	376.91	-2.29	-24.57
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739071	0	54	0.0	-63.24	423.05	2.77	-60.47
CC(NC(=O)C[NH+]1CCC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739089	1	52	0.0	-65.28	415.07	2.77	-62.51
CC(NC(=O)[C@@H](C)[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739100	0	54	0.0	-64.40	418.07	2.54	-61.86
CC(NC(=O)C[NH+]1CC(C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739106	1	55	0.0	-65.23	430.69	3.22	-62.01
CC[N@H+](C)CC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739123	0	54	0.0	-65.05	417.68	2.78	-62.27
CC[N@@H+](C)CC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739123	1	54	0.0	-64.98	417.68	2.78	-62.20
CC(NC(=O)C=CC[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739139	0	55	0.0	-70.25	435.89	3.33	-66.92
CC[N@@H+]1CCC1C(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739145	1	55	0.0	-63.98	436.61	3.32	-60.66
CC[N@H+]1CCC1C(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739145	1	55	0.0	-63.28	423.98	2.77	-60.51
CC(NC(=O)C(C)(C)[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739158	0	57	0.0	-65.20	427.41	3.27	-61.93
CC(NC(=O)C1([NH+](C)C)CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739180	0	55	0.0	-64.83	423.97	3.00	-61.83
CC(C[NH+](C)C)C(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739202	0	57	0.0	-63.26	438.12	3.46	-59.80
CC(NC(=O)C[N@@H+]1CCC1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739211	1	55	0.0	-64.06	436.28	3.43	-60.63
CC(NC(=O)C[N@H+]1CCC1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739211	1	55	0.0	-63.23	425.21	2.93	-60.30
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300024739320	0	55	0.0	-70.34	426.79	3.14	-67.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCC[N@H+]2C)C1	REAL300024739320	1	55	0.0	-70.29	420.97	2.77	-67.52
CCC(C(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024739391	0	57	0.0	-72.05	429.33	3.02	-69.03
CCC[N@H+](C)CC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739395	0	57	0.0	-73.64	444.24	3.72	-69.92
CCC[N@@H+](C)CC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739395	1	57	0.0	-73.59	444.28	3.71	-69.88
CC[N@H+](C)CCC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739412	0	57	0.0	-76.22	439.26	3.26	-72.96
CC[N@@H+](C)CCC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739412	1	57	0.0	-76.27	439.26	3.28	-72.99
CC[C@@H](C(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024739452	0	57	0.0	-69.53	430.32	3.13	-66.40
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300024739498	0	55	0.0	-70.38	426.77	3.13	-67.25
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300024739498	1	55	0.0	-72.90	418.55	2.52	-70.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300024739552	0	54	0.0	-71.58	421.42	2.69	-68.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+]2CC(C)C2)C1	REAL300024739576	1	55	0.0	-73.63	436.31	3.39	-70.24
CC[N@H+](C)CC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739594	0	54	0.0	-73.25	422.74	2.97	-70.28
CC[N@@H+](C)CC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739594	1	54	0.0	-73.21	422.76	2.97	-70.24
CC(C[NH+](C)C)C(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739624	0	57	0.0	-77.32	438.36	3.20	-74.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2([NH+](C)C)CC2)C1	REAL300024739627	0	55	0.0	-74.50	428.13	2.97	-71.53
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300024739631	0	54	0.0	-72.62	415.44	2.35	-70.27
CC[N@@H+]1CCC1C(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739634	1	55	0.0	-72.96	435.67	3.21	-69.75
CC[N@H+]1CCC1C(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739634	1	55	0.0	-73.50	429.71	2.94	-70.56
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300024739642	0	57	0.0	-75.10	419.86	2.45	-72.65
CC(NC(=O)CSC1=NC(=O)NN1)C1CCCN(C(=O)CN=[N+]=[N-])C1	REAL300024739688	0	45	0.0	-23.65	376.38	-2.39	-26.04
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300024739701	0	55	0.0	-71.82	423.47	2.84	-68.98
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300024739701	1	55	0.0	-66.34	424.79	2.88	-63.46
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@H+](C)C2CC2)C1	REAL300024739738	0	55	0.0	-71.47	428.57	3.41	-68.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300024739738	1	55	0.0	-71.02	428.44	3.42	-67.60
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)CC2C[NH+](C)C2)C1	REAL300024739766	0	55	0.0	-75.30	430.46	2.88	-72.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+](C)C)C1	REAL300024739769	0	51	0.0	-74.46	399.17	2.01	-72.45
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300024739772	0	54	0.0	-71.58	421.42	2.69	-68.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300024739779	1	55	0.0	-72.29	436.41	3.39	-68.90
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@H+]2CCC2C)C1	REAL300024739779	1	55	0.0	-72.83	431.06	3.07	-69.76
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C=CC[NH+](C)C)C1	REAL300024739780	0	55	0.0	-78.81	439.76	3.47	-75.34
CC[NH+](CC)CC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739786	0	57	0.0	-72.18	430.76	3.09	-69.09
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024739787	1	52	0.0	-74.33	409.52	2.48	-71.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300024739809	1	55	0.0	-70.82	423.84	2.85	-67.97
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739877	0	55	0.0	-64.74	419.47	2.68	-62.06
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739877	1	55	0.0	-62.76	430.88	3.39	-59.37
C[N@@H+]1CCCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740059	0	47	0.0	-73.23	384.03	1.44	-71.79
C[N@H+]1CCCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740059	1	47	0.0	-73.41	384.19	1.39	-72.02
C[N@@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024740083	1	48	0.0	-77.11	393.99	1.15	-75.96
C[N@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024740083	1	48	0.0	-76.90	394.04	1.14	-75.76
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740231	0	53	0.0	-71.73	416.87	3.15	-68.58
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740231	1	53	0.0	-69.22	422.84	3.04	-66.18
CC1=[NH+]C=CN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740256	1	45	0.0	-70.69	393.18	2.48	-68.21
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1C[NH+]2CCC1CC2	REAL300024740277	0	51	0.0	-78.79	405.02	2.66	-76.13
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC[N@@H+]1C	REAL300024740307	0	50	0.0	-74.84	401.25	2.06	-72.78
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC[N@H+]1C	REAL300024740307	1	50	0.0	-75.58	406.81	2.15	-73.43
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC[N@@H+]1C	REAL300024740309	0	53	0.0	-74.77	421.06	2.56	-72.21
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC[N@H+]1C	REAL300024740309	1	53	0.0	-74.28	425.93	2.87	-71.41
CC[N@@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024740314	1	51	0.0	-76.29	411.83	1.78	-74.51
CC[N@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024740314	1	51	0.0	-76.18	411.81	1.79	-74.39
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740364	0	53	0.0	-70.21	421.09	2.79	-67.42
O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740367	0	53	0.0	-74.15	433.54	3.40	-70.75
O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740370	0	53	0.0	-74.92	427.76	3.29	-71.63
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740373	0	53	0.0	-70.61	414.38	2.96	-67.65
CC[N@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740373	1	53	0.0	-70.51	414.15	2.93	-67.58
C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CCC1	REAL300024740383	0	50	0.0	-69.58	397.88	2.36	-67.22
CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024740389	0	52	0.0	-72.07	413.16	3.11	-68.96
C[N@H+](CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CCC1	REAL300024740410	0	50	0.0	-72.32	409.93	2.85	-69.47
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CCC1	REAL300024740410	1	50	0.0	-72.61	409.84	2.84	-69.77
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740468	1	49	0.0	-71.81	410.38	2.65	-69.16
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740468	1	49	0.0	-71.97	416.35	3.19	-68.78
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740473	0	53	0.0	-72.90	425.62	2.90	-70.00
C[N@H+]1CCCC1CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740473	1	53	0.0	-72.84	425.66	2.90	-69.94
C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024740489	0	50	0.0	-77.47	408.31	2.54	-74.93
C[N@@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740520	0	50	0.0	-70.86	406.04	2.49	-68.37
C[N@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740520	1	50	0.0	-71.67	396.38	2.28	-69.39
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024740573	0	45	0.0	-74.27	393.91	4.37	-69.90
O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740579	1	51	0.0	-78.09	418.97	0.87	-77.22
CC1=C[NH+]=CN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740592	1	45	0.0	-73.04	393.47	3.21	-69.83
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2	REAL300024740608	0	51	0.0	-74.81	408.81	2.81	-72.00
C[N@@H+]1CCC(CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024740615	0	50	0.0	-75.11	409.96	2.48	-72.63
C[N@H+]1CCC(CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024740615	1	50	0.0	-75.82	410.10	2.48	-73.34
CCC(C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024740622	0	49	0.0	-71.17	394.02	1.89	-69.28
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024740646	1	45	0.0	-78.28	394.18	4.38	-73.90
C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740671	0	52	0.0	-75.48	429.07	3.01	-72.47
CC(C)C(C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024740683	0	52	0.0	-72.09	413.22	3.08	-69.01
CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740684	0	52	0.0	-76.07	425.37	2.83	-73.24
CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740684	1	52	0.0	-76.06	425.37	2.82	-73.24
CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740687	0	49	0.0	-74.46	402.94	2.28	-72.18
CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740687	1	49	0.0	-74.46	402.94	2.28	-72.18
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[N@H+](C1)CCC2	REAL300024740700	0	51	0.0	-74.35	405.63	2.12	-72.23
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[N@@H+](C1)CCC2	REAL300024740700	1	51	0.0	-74.35	405.56	2.10	-72.25
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740724	0	47	0.0	-72.92	383.95	1.43	-71.49
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740724	1	47	0.0	-70.78	388.79	1.95	-68.83
CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740753	0	49	0.0	-72.62	399.86	2.23	-70.39
CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024740807	0	53	0.0	-75.02	426.94	3.39	-71.63
C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024740827	0	50	0.0	-75.16	415.47	2.62	-72.54
C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024740875	0	50	0.0	-77.47	408.31	2.54	-74.93
CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024740890	0	52	0.0	-72.08	413.22	3.08	-69.00
CCC(C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](CC)CC	REAL300024740918	0	55	0.0	-68.00	429.89	3.16	-64.84
CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740949	0	49	0.0	-75.24	403.87	2.08	-73.16
CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740949	1	49	0.0	-75.27	403.87	2.07	-73.20
CC1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740973	0	50	0.0	-71.30	402.87	2.23	-69.07
CC1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740973	1	50	0.0	-71.66	408.97	2.64	-69.02
CC1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024740974	0	50	0.0	-73.46	410.00	2.52	-70.94
CC1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024740974	1	50	0.0	-73.80	408.92	2.61	-71.19
CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024740977	0	53	0.0	-73.83	428.77	3.12	-70.71
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024740977	1	53	0.0	-73.96	428.98	3.10	-70.86
C[N@H+](CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)CC(C)(C)C	REAL300024740978	0	55	0.0	-74.36	433.34	3.36	-71.00
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)CC(C)(C)C	REAL300024740978	1	55	0.0	-74.13	433.85	3.44	-70.69
CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024740985	0	49	0.0	-71.05	394.38	1.93	-69.12
C[NH+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741070	0	43	0.0	-74.74	363.81	0.85	-73.89
O=C(C[NH+]1CCCCCC1)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741073	0	53	0.0	-73.87	414.79	2.92	-70.95
CN1C=C[N+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)=C1	REAL300024741076	0	45	0.0	-71.85	395.22	4.41	-67.44
C[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024741080	0	50	0.0	-74.05	408.33	2.49	-71.56
C[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024741080	1	50	0.0	-73.99	408.29	2.49	-71.50
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC[N@@H+]1C1CC1	REAL300024741085	0	51	0.0	-69.41	421.76	3.38	-66.03
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC[N@H+]1C1CC1	REAL300024741085	1	51	0.0	-71.74	414.17	2.70	-69.04
CC(C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+]1CCC1	REAL300024741097	1	47	0.0	-71.31	391.53	1.92	-69.39
CCC(CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C[NH+](C)C	REAL300024741101	0	55	0.0	-78.88	438.71	3.48	-75.40
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741106	0	52	0.0	-73.49	413.89	2.65	-70.84
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741117	1	51	0.0	-79.18	417.19	-0.57	-79.75
C[N@H+](CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CC1	REAL300024741118	0	47	0.0	-71.49	393.03	2.27	-69.22
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CC1	REAL300024741118	1	47	0.0	-72.12	393.15	2.27	-69.85
C[NH+]1CC(CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024741132	0	47	0.0	-74.68	395.05	1.69	-72.99
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741142	0	53	0.0	-70.49	425.06	2.58	-67.91
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741142	1	53	0.0	-71.12	409.04	2.02	-69.10
C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024741153	0	46	0.0	-72.83	382.27	1.25	-71.58
[N-]=[N+]=NCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NC(=O)NN3)C[C@H]21	REAL300024741160	0	37	0.0	-24.20	340.71	-3.54	-27.74
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741205	0	43	0.0	-70.37	390.78	1.05	-69.32
C[N@H+](CCO)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741210	0	50	0.0	-74.98	414.22	-1.14	-76.12
C[N@@H+](CCO)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741210	1	50	0.0	-74.75	414.21	-1.15	-75.90
C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024741211	0	46	0.0	-72.83	382.27	1.25	-71.58
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741214	0	50	0.0	-71.68	396.43	2.29	-69.39
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741214	1	50	0.0	-70.73	405.68	2.46	-68.27
O=C(C[NH+]1CCC1)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741259	1	44	0.0	-74.24	374.02	1.36	-72.88
C[N@@H+]1CCC(=CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024741275	0	48	0.0	-77.13	402.05	2.41	-74.72
C[N@H+]1CCC(=CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024741275	1	48	0.0	-76.60	402.84	2.43	-74.17
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741295	0	50	0.0	-73.52	419.62	1.92	-71.60
C=CCC(C)(C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024741307	0	53	0.0	-74.35	415.44	2.67	-71.68
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741325	0	51	0.0	-78.98	411.36	-1.03	-80.01
CC1CN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024741342	0	47	0.0	-74.92	393.86	2.01	-72.91
CC1C[NH+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024741342	1	47	0.0	-74.92	393.86	2.01	-72.91
CN(CCO)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741360	0	47	0.0	-74.81	391.79	-1.70	-76.51
C[N@H+](CCO)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741360	1	47	0.0	-74.63	391.58	-1.69	-76.32
C[N@@H+](CCO)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741360	1	47	0.0	-74.63	391.58	-1.69	-76.32
CC[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024741379	0	53	0.0	-72.64	426.02	3.14	-69.50
CC[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024741379	1	53	0.0	-72.64	426.02	3.14	-69.50
CC(CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C[NH+](C)C	REAL300024741381	0	52	0.0	-77.80	420.92	2.85	-74.95
CC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741385	0	46	0.0	-74.09	381.45	1.54	-72.55
CC[N@H+](CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CC1	REAL300024741412	0	50	0.0	-71.43	409.76	2.88	-68.55
CC[NH+](CC)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741421	0	52	0.0	-74.74	417.31	2.51	-72.23
CC1(O)CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024741454	0	51	0.0	-74.90	420.28	-0.71	-75.61
C[NH+](C)CC=CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741457	0	47	0.0	-77.56	400.00	2.12	-75.44
CC(OCC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741465	0	53	0.0	-71.93	439.38	2.60	-69.33
C[NH+](C)CCOCCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741471	0	53	0.0	-73.58	440.54	1.67	-71.91
COCCN(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741472	0	50	0.0	-74.55	413.83	0.71	-73.84
COCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741472	1	50	0.0	-75.08	414.05	0.70	-74.38
COCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741472	1	50	0.0	-75.08	414.05	0.70	-74.38
C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CCCC1	REAL300024741491	0	53	0.0	-78.27	415.64	2.99	-75.28
CC(CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024741493	0	52	0.0	-73.52	421.04	2.59	-70.93
CCN1CCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741499	0	47	0.0	-72.46	387.03	1.42	-71.04
CC[N@@H+]1CCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741499	1	47	0.0	-73.46	395.79	1.87	-71.59
CC[N@H+]1CCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741499	1	47	0.0	-73.46	395.79	1.87	-71.59
O=C(C[N@H+]1CCCC1CO)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741510	0	51	0.0	-73.80	416.78	-0.59	-74.39
C[NH+]1CCC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024741530	0	53	0.0	-71.98	421.02	2.95	-69.03
C=CCC(C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024741547	0	50	0.0	-70.90	407.41	2.35	-68.55
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741554	0	53	0.0	-71.16	422.89	2.63	-68.53
C[NH+](C)CCCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741556	0	55	0.0	-74.67	450.57	3.79	-70.88
CCCC(C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300024741574	0	52	0.0	-72.97	419.41	3.22	-69.75
C[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741577	0	49	0.0	-76.62	391.21	2.02	-74.60
C[N@@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741601	0	50	0.0	-71.67	396.38	2.28	-69.39
C[N@H+]1CC=C(CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024741622	0	51	0.0	-70.82	422.88	3.19	-67.63
C[N@@H+]1CC=C(CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024741622	1	51	0.0	-70.82	422.88	3.19	-67.63
O=C(C=CC[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741654	0	51	0.0	-76.65	426.34	3.32	-73.33
O=C(CC[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741683	0	50	0.0	-75.08	411.05	2.52	-72.56
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]31)C2	REAL300024741709	0	48	0.0	-75.97	394.49	1.97	-74.00
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741714	0	51	0.0	-71.63	407.92	2.79	-68.84
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741714	1	51	0.0	-71.63	407.92	2.79	-68.84
O=C(CN1CC2C=CC1C2)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741752	0	49	0.0	-70.82	402.95	2.76	-68.06
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741752	1	49	0.0	-70.72	402.71	2.74	-67.98
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741752	1	49	0.0	-70.72	402.71	2.74	-67.98
CC(C[NH+](C)C)C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741783	0	49	0.0	-74.77	402.40	2.20	-72.57
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741824	0	53	0.0	-76.10	423.03	3.06	-73.04
C[N@H+]1CCCCC1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741824	1	53	0.0	-76.10	423.03	3.06	-73.04
CC(C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)N1CC(C)C1	REAL300024741833	0	50	0.0	-71.43	411.48	2.62	-68.81
CC(C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+]1CC(C)C1	REAL300024741833	1	50	0.0	-71.43	411.48	2.62	-68.81
CC1CCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741835	0	47	0.0	-71.84	390.32	1.77	-70.07
CC1CC[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741835	1	47	0.0	-73.00	395.25	1.96	-71.04
CC1CC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741835	1	47	0.0	-73.00	395.25	1.96	-71.04
C[NH+](C)CC(O)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741837	0	50	0.0	-78.43	416.29	-0.11	-78.54
CC1CN(C)CC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)O1	REAL300024741856	0	51	0.0	-85.03	415.11	1.62	-83.41
CC1C[N@H+](C)CC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)O1	REAL300024741856	1	51	0.0	-84.56	422.58	2.07	-82.49
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)O1	REAL300024741856	1	51	0.0	-84.56	422.58	2.07	-82.49
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024741895	0	50	0.0	-74.15	413.57	2.62	-71.53
CC(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741899	0	52	0.0	-74.45	424.02	2.81	-71.64
CN1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024741915	0	52	0.0	-73.55	423.07	0.42	-73.13
C[NH+]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024741915	1	52	0.0	-73.55	423.07	0.42	-73.13
C[N@@H+]1CCCC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742085	0	47	0.0	-68.97	387.72	1.71	-67.26
C[N@H+]1CCCC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742085	1	47	0.0	-68.97	387.72	1.71	-67.26
CN1CCOC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024742111	0	48	0.0	-83.29	397.58	1.14	-82.15
C[N@@H+]1CCOC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024742111	1	48	0.0	-81.74	397.16	1.09	-80.65
C[N@H+]1CCOC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024742111	1	48	0.0	-81.74	397.16	1.09	-80.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21	REAL300024742260	1	51	0.0	-76.67	419.04	0.85	-75.82
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21	REAL300024742269	0	51	0.0	-72.54	396.69	2.38	-70.16
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C[C@H]21	REAL300024742272	1	45	0.0	-77.30	398.73	4.22	-73.08
C[N@@H+]1CCC(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024742295	0	50	0.0	-74.43	410.75	2.43	-72.00
C[N@H+]1CCC(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024742295	1	50	0.0	-74.61	410.42	2.44	-72.17
CCC(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024742302	0	49	0.0	-69.67	391.40	1.87	-67.80
C[NH+](C)CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742335	0	52	0.0	-75.05	429.10	2.96	-72.09
CC(C)C(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024742349	0	52	0.0	-70.58	404.36	2.49	-68.09
CCC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742350	0	52	0.0	-74.80	425.33	2.79	-72.01
CCC[N@@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742350	1	52	0.0	-74.70	425.37	2.81	-71.89
CCC[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742353	0	49	0.0	-71.94	403.03	2.20	-69.74
CCC[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742353	1	49	0.0	-71.99	403.18	2.24	-69.75
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C34CC[N@H+](C3)CCC4)C[C@H]21	REAL300024742366	0	51	0.0	-73.74	397.88	1.71	-72.03
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C34CC[N@@H+](C3)CCC4)C[C@H]21	REAL300024742366	1	51	0.0	-73.88	398.48	1.75	-72.13
CC1CC[NH+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024742394	0	53	0.0	-72.24	426.36	3.29	-68.95
C[NH+](C)CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024742432	0	50	0.0	-72.82	412.92	2.36	-70.46
CC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742450	0	49	0.0	-73.85	403.87	2.06	-71.79
CC[N@@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742450	1	49	0.0	-73.97	403.87	2.07	-71.90
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3C[NH+]4CCC3CC4)C[C@H]21	REAL300024742462	0	51	0.0	-78.40	400.83	2.34	-76.06
C[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024742503	0	50	0.0	-76.26	404.45	2.20	-74.06
CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024742518	0	52	0.0	-68.57	405.00	2.25	-66.32
C[NH+](C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024742582	0	50	0.0	-73.46	393.22	1.89	-71.57
CCC(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024742610	0	55	0.0	-64.69	425.30	3.01	-61.68
CC1CCC[N@@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742619	0	50	0.0	-68.37	402.44	2.19	-66.18
CC1CCC[N@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742619	1	50	0.0	-68.84	408.64	2.49	-66.35
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742655	0	53	0.0	-67.03	420.49	2.77	-64.26
CC(C)[N@H+]1CCCC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742655	1	53	0.0	-67.07	420.22	2.78	-64.29
CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024742662	0	52	0.0	-69.89	408.34	2.78	-67.11
CC1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024742675	0	50	0.0	-71.11	409.83	2.53	-68.58
CC1CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024742675	1	50	0.0	-72.53	410.00	2.54	-69.99
CC1(C)CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024742678	0	53	0.0	-71.14	428.97	3.04	-68.10
CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024742678	1	53	0.0	-71.45	429.46	3.07	-68.38
C[N@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024742679	0	55	0.0	-71.69	433.58	3.31	-68.38
C[N@@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024742679	1	55	0.0	-71.35	433.94	3.37	-67.98
CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024742686	0	49	0.0	-68.61	392.48	1.75	-66.86
CC1=[NH+]C=CN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742775	1	45	0.0	-70.07	393.16	2.41	-67.66
CC[N@@H+]1CCOC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024742823	1	51	0.0	-79.70	414.95	1.73	-77.97
CC[N@H+]1CCOC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024742823	1	51	0.0	-72.24	408.00	1.55	-70.69
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C[C@H]21	REAL300024742846	0	45	0.0	-73.14	391.31	3.91	-69.23
CC1=C[NH+]=CN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742849	1	45	0.0	-71.14	393.54	3.15	-67.99
C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024742854	0	50	0.0	-78.00	399.68	1.75	-76.25
C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024742854	1	50	0.0	-74.39	406.00	2.12	-72.27
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024742856	0	53	0.0	-73.38	418.61	2.40	-70.98
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024742856	1	53	0.0	-72.77	424.33	2.71	-70.06
CC1CCC(C)[NH+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742862	0	53	0.0	-68.26	422.37	2.83	-65.43
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21	REAL300024742865	0	53	0.0	-73.37	433.57	3.37	-70.00
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21	REAL300024742869	0	53	0.0	-73.28	427.32	3.24	-70.04
CC[N@@H+]1CCCCC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742872	0	53	0.0	-68.62	413.92	2.74	-65.88
CC[N@H+]1CCCCC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024742872	1	53	0.0	-67.37	422.04	3.00	-64.37
C[N@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024742956	0	50	0.0	-71.00	410.43	2.77	-68.23
C[N@@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024742956	1	50	0.0	-71.11	409.87	2.78	-68.33
C[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024742981	0	50	0.0	-76.26	404.45	2.20	-74.06
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743006	0	47	0.0	-69.84	382.06	1.31	-68.53
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743006	1	47	0.0	-68.79	385.05	1.66	-67.13
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743023	1	49	0.0	-68.31	409.05	2.60	-65.71
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743023	1	49	0.0	-69.72	413.81	2.98	-66.74
C[N@@H+]1CCCC1CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743028	0	53	0.0	-72.05	425.53	2.84	-69.21
C[N@H+]1CCCC1CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743028	1	53	0.0	-73.16	425.69	2.86	-70.30
C[N@@H+]1CCCCC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743093	0	50	0.0	-70.53	396.12	2.07	-68.46
C[N@H+]1CCCCC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743093	1	50	0.0	-69.70	392.84	1.90	-67.80
CC1C(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024743145	0	50	0.0	-72.77	400.53	1.80	-70.97
CC1C(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024743145	1	50	0.0	-74.52	400.65	2.08	-72.44
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743197	0	53	0.0	-68.26	424.80	2.49	-65.77
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743197	1	53	0.0	-69.69	424.73	2.50	-67.19
C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024743211	0	46	0.0	-71.72	380.39	1.17	-70.55
C=CCC(C)(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024743224	0	53	0.0	-65.90	409.92	2.36	-63.54
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)CC[NH+]3CCCC3)C[C@H]21	REAL300024743238	0	50	0.0	-73.41	411.64	2.55	-70.86
C[N@H+](CCO)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743247	1	47	0.0	-72.55	392.14	-1.72	-74.27
C[N@@H+](CCO)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743247	1	47	0.0	-72.26	391.68	-1.76	-74.02
C[N@H+]1CC=C(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024743296	0	51	0.0	-72.18	423.11	3.19	-68.99
C[N@@H+]1CC=C(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024743296	1	51	0.0	-70.46	423.20	3.21	-67.25
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743314	0	51	0.0	-77.29	401.71	-1.50	-78.79
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743314	1	51	0.0	-68.09	403.41	-1.97	-70.06
CC1C[NH+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024743340	1	47	0.0	-73.86	394.25	1.94	-71.92
CC[N@@H+]1CCCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024743346	0	53	0.0	-71.35	422.10	2.82	-68.53
CC[N@H+]1CCCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024743346	1	53	0.0	-72.44	422.36	2.86	-69.58
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3CCC[N@@H+]3C3CC3)C[C@H]21	REAL300024743357	0	51	0.0	-68.90	414.45	2.77	-66.13
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3CCC[N@H+]3C3CC3)C[C@H]21	REAL300024743357	1	51	0.0	-66.65	414.16	3.05	-63.60
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C=CC[NH+]3CCCC3)C[C@H]21	REAL300024743378	0	51	0.0	-75.67	425.13	3.23	-72.44
CC[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743419	0	46	0.0	-71.54	381.44	1.48	-70.06
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)CN3CC4C=CC3C4)C[C@H]21	REAL300024743450	0	49	0.0	-69.51	403.42	2.66	-66.85
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+]3CC4C=CC3C4)C[C@H]21	REAL300024743450	1	49	0.0	-68.24	402.79	2.68	-65.56
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C[N@H+]3CC4C=CC3C4)C[C@H]21	REAL300024743450	1	49	0.0	-68.24	402.79	2.68	-65.56
CC(OCC[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743524	0	53	0.0	-74.08	434.66	2.36	-71.72
C[NH+](C)CCOCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743531	0	53	0.0	-72.27	440.60	1.63	-70.64
COCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743533	0	50	0.0	-72.12	413.94	0.64	-71.48
COCC[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743533	1	50	0.0	-72.74	414.39	0.68	-72.06
COCC[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743533	1	50	0.0	-72.74	414.39	0.68	-72.06
CC(CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024743536	0	52	0.0	-75.91	417.42	2.56	-73.35
CC[N@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024743550	0	50	0.0	-70.05	409.91	2.83	-67.22
C[N@@H+]1CC2CC1(C(=O)N1C[C@H]3[C@@H](C1)[C@@H]3NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024743575	0	48	0.0	-74.31	392.17	1.80	-72.51
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+]3CC4CCC3C4)C[C@H]21	REAL300024743582	0	51	0.0	-69.68	411.07	2.95	-66.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C[N@H+]3CC4CCC3C4)C[C@H]21	REAL300024743582	1	51	0.0	-69.68	411.07	2.95	-66.73
CC(C[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743596	0	49	0.0	-73.84	398.62	1.84	-72.00
CC[N@@H+]1CCC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743626	0	47	0.0	-69.07	386.89	1.40	-67.67
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743634	0	55	0.0	-70.35	427.87	1.49	-68.86
CCCC(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024743665	0	52	0.0	-71.27	416.38	2.69	-68.58
C[NH+](C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743669	0	49	0.0	-72.06	384.36	1.23	-70.83
CC(CC[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743682	0	52	0.0	-73.98	419.94	2.42	-71.56
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743732	0	53	0.0	-68.98	426.98	2.87	-66.11
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743732	1	53	0.0	-68.98	426.98	2.87	-66.11
C[NH+](C)CCCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743734	0	55	0.0	-74.29	450.60	3.74	-70.55
CN1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024743741	0	52	0.0	-72.84	423.39	0.31	-72.53
C[NH+]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024743741	1	52	0.0	-72.84	423.39	0.31	-72.53
CC1CN(C)CC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024743787	0	51	0.0	-75.06	411.58	1.65	-73.41
CC1C[N@H+](C)CC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024743787	1	51	0.0	-82.08	418.35	1.82	-80.26
CC1C[N@@H+](C)CC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024743787	1	51	0.0	-82.08	418.35	1.82	-80.26
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C[NH+]3CC4CC4C3)C[C@H]21	REAL300024743814	0	48	0.0	-71.83	399.34	2.68	-69.15
C[N@@H+]1CCCCC1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743833	0	50	0.0	-69.70	392.84	1.90	-67.80
C[N@@H+]1CCC(=CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024743894	0	48	0.0	-76.29	400.44	2.38	-73.91
C[N@H+]1CCC(=CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024743894	1	48	0.0	-76.29	400.44	2.38	-73.91
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)CNC3=CC=[NH+]C=C3)C[C@H]21	REAL300024743896	0	46	0.0	-71.94	399.46	0.08	-71.86
C[NH+](C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024743947	0	53	0.0	-74.43	404.76	2.33	-72.10
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743965	0	47	0.0	-72.30	382.03	1.31	-70.99
C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024743965	1	47	0.0	-72.30	382.03	1.31	-70.99
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024744047	0	50	0.0	-73.86	413.18	2.54	-71.32
C[NH+](C)CCC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024744055	0	53	0.0	-73.31	436.31	3.20	-70.11
C[N@@H+]1CC=CCC1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744056	0	51	0.0	-77.00	415.18	2.87	-74.13
C[N@H+]1CC=CCC1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744056	1	51	0.0	-77.00	415.18	2.87	-74.13
C[NH+](C)CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744085	0	50	0.0	-72.94	419.92	1.98	-70.96
[NH2+]=C1SC=CN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744110	0	43	0.0	-67.78	390.85	1.00	-66.78
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744143	0	53	0.0	-71.37	435.82	2.40	-68.97
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCCCC3)C[C@H]21	REAL300024744168	0	50	0.0	-71.30	405.47	2.67	-68.63
C[N@@H+]1CCCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024744169	0	50	0.0	-73.11	404.73	2.18	-70.93
C[N@H+]1CCCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024744169	1	50	0.0	-73.53	408.95	2.38	-71.15
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCCCCC3)C[C@H]21	REAL300024744170	0	53	0.0	-71.23	415.11	2.89	-68.34
CN1C=C[N+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024744173	0	45	0.0	-69.92	394.95	4.32	-65.60
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCC(O)CC3)C[C@H]21	REAL300024744192	1	51	0.0	-76.34	417.45	-0.62	-76.96
C[N@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024744193	0	47	0.0	-69.48	393.19	2.23	-67.25
C[N@@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024744193	1	47	0.0	-69.37	393.18	2.23	-67.14
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)CC[N@H+]3CCC(F)C3)C[C@H]21	REAL300024744196	0	50	0.0	-75.97	418.58	2.69	-73.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)CC[N@@H+]3CCC(F)C3)C[C@H]21	REAL300024744196	1	50	0.0	-80.01	418.67	2.62	-77.39
CCOCC(N=[N+]=[N-])C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NC(=O)NN1	REAL300024744211	0	47	0.0	-23.93	415.43	-2.94	-26.87
CC(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024744215	0	52	0.0	-74.33	420.96	2.85	-71.48
C[N@@H+]1CCOCC1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744234	1	51	0.0	-68.25	407.18	0.53	-67.72
C[N@H+]1CCOCC1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744234	1	51	0.0	-69.37	406.80	0.51	-68.86
CC1(O)CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024744297	0	51	0.0	-71.95	420.06	-0.79	-72.74
CC1(O)CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024744297	1	51	0.0	-70.79	419.57	-0.79	-71.58
C[NH+]1CC(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024744320	0	47	0.0	-73.33	395.04	1.66	-71.67
C[NH+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744329	0	43	0.0	-73.54	364.03	0.84	-72.70
C[N@H+](CCO)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744344	0	50	0.0	-73.84	414.22	-1.15	-74.99
C[N@@H+](CCO)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744344	1	50	0.0	-73.19	414.18	-1.18	-74.37
C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024744345	0	46	0.0	-71.72	380.39	1.17	-70.55
C[N@@H+]1CCCCC1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744359	0	53	0.0	-74.69	422.85	3.05	-71.64
C[N@H+]1CCCCC1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744359	1	53	0.0	-74.80	423.46	3.07	-71.73
CC(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024744369	0	50	0.0	-70.93	413.51	2.36	-68.57
CC1CC[N@@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744371	0	47	0.0	-70.61	395.05	1.89	-68.72
CC1CC[N@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744371	1	47	0.0	-71.05	389.53	1.62	-69.43
C[NH+](C)CC=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744377	0	47	0.0	-78.17	398.79	2.03	-76.14
CC1(C)C[NH+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024744383	1	50	0.0	-71.94	414.08	2.37	-69.57
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C[N@H+]3CCCC3CO)C[C@H]21	REAL300024744418	0	51	0.0	-70.53	418.79	-0.62	-71.15
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C[N@@H+]3CCCC3CO)C[C@H]21	REAL300024744418	1	51	0.0	-70.75	416.83	-0.60	-71.35
CC[NH+](CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744422	0	49	0.0	-69.86	400.07	2.16	-67.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@H]21	REAL300024744431	1	44	0.0	-72.07	374.07	1.29	-70.78
CC[NH+](CC)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744459	0	52	0.0	-72.96	421.69	2.75	-70.21
CC(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024744511	0	47	0.0	-69.61	388.13	1.64	-67.97
CCC(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024744516	0	55	0.0	-68.45	439.19	3.47	-64.98
C[NH+](C)CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744521	0	52	0.0	-72.48	405.02	1.96	-70.52
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744553	0	50	0.0	-69.72	392.92	1.91	-67.81
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744553	1	50	0.0	-67.66	403.98	2.32	-65.34
C[NH+](C)CC(O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024744574	0	50	0.0	-77.69	416.27	-0.12	-77.81
C=CCC(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024744595	0	50	0.0	-67.67	405.93	2.22	-65.45
C[NH+]1CCC(C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024744607	0	53	0.0	-71.70	412.79	2.34	-69.36
NC(=[NH2+])SCC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024744628	0	41	0.0	-75.72	372.29	-2.27	-77.99
C[NH+](C)CCC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC1	REAL300024744652	0	53	0.0	-77.08	438.14	3.37	-73.71
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024744653	0	51	0.0	-77.07	414.99	2.92	-74.15
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024744653	1	51	0.0	-68.66	410.51	2.84	-65.82
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024744663	0	53	0.0	-71.92	439.40	2.60	-69.32
CCC1CN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024744738	0	50	0.0	-75.33	416.35	2.72	-72.61
CCC1C[NH+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300024744738	1	50	0.0	-75.33	416.35	2.72	-72.61
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024744743	0	47	0.0	-73.12	383.74	1.42	-71.70
O=C(CC[N@H+]1CCC(F)C1)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024744749	0	50	0.0	-76.76	418.09	2.66	-74.10
CC1C(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC[N@@H+]1C	REAL300024744768	0	50	0.0	-73.88	404.12	2.02	-71.86
CC1C(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)CC[N@H+]1C	REAL300024744768	1	50	0.0	-73.88	404.12	2.02	-71.86
CN1CCOCC1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024744797	0	51	0.0	-79.96	414.65	0.71	-79.25
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024744797	1	51	0.0	-79.77	414.34	0.68	-79.09
C[N@H+]1CCOCC1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024744797	1	51	0.0	-79.77	414.34	0.68	-79.09
C[N@@H+]1CCCC1C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745013	0	52	0.0	-73.08	412.08	0.94	-72.14
CN1CCOC(C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745037	0	53	0.0	-83.24	425.04	1.26	-81.98
C[N@@H+]1CCOC(C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745037	1	53	0.0	-81.07	425.04	1.27	-79.80
C[N@H+]1CCOC(C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745037	1	53	0.0	-81.07	425.04	1.27	-79.80
CC1=[NH+]C=CN1CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745176	1	50	0.0	-69.04	417.11	2.43	-66.61
C[C@@H]1[C@H](C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024745194	0	55	0.0	-75.67	425.18	2.02	-73.65
C[C@@H]1[C@H](C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024745194	1	55	0.0	-72.72	434.20	1.88	-70.84
C[NH+](C)C1(C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024745214	0	55	0.0	-76.09	427.85	1.74	-74.35
CC(C)[C@@H](C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024745216	0	57	0.0	-68.45	435.46	2.51	-65.94
C[N@H+](CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024745225	0	55	0.0	-69.91	433.78	2.79	-67.12
C[N@@H+](CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024745225	1	55	0.0	-69.76	433.92	2.81	-66.95
C[NH+]1CCC(C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024745249	0	55	0.0	-76.69	436.68	2.05	-74.64
C[N@@H+]1CCCCC1C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745255	0	55	0.0	-68.68	434.07	1.99	-66.69
C[N@H+]1CCCCC1C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745255	1	55	0.0	-71.22	429.62	2.41	-68.81
CC1=C[NH+]=CN1CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745272	1	50	0.0	-72.71	420.82	2.69	-70.02
C[N@@H+]1CCC(CC(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745282	0	55	0.0	-73.72	434.22	2.41	-71.31
C[N@H+]1CCC(CC(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745282	1	55	0.0	-76.14	438.42	1.98	-74.16
CCC(C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024745285	0	54	0.0	-68.23	417.91	1.82	-66.41
C[NH+](C)CCCCC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745299	0	57	0.0	-75.83	457.46	2.53	-73.30
CC(C)C(C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024745302	0	57	0.0	-71.00	439.43	2.62	-68.38
CCC[N@H+](C)CCC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745303	0	57	0.0	-75.26	453.70	2.34	-72.92
CCC[N@@H+](C)CCC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745303	1	57	0.0	-75.17	453.70	2.34	-72.83
CCC[N@H+](C)CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745304	0	54	0.0	-72.83	431.33	1.81	-71.02
CCC[N@@H+](C)CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745304	1	54	0.0	-72.95	431.33	1.80	-71.15
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745319	0	52	0.0	-72.14	407.62	1.36	-70.78
C[N@H+]1CCC[C@@H]1C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745319	1	52	0.0	-69.92	417.18	1.46	-68.46
CC[NH+](CC)CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745331	0	54	0.0	-71.20	423.69	1.47	-69.73
C[NH+](C)CC1(C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024745385	0	55	0.0	-71.03	439.36	2.58	-68.45
C[NH+]1CCC(C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024745407	0	55	0.0	-76.69	436.68	2.05	-74.64
CC(C)[C@H](C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024745422	0	57	0.0	-71.05	436.73	3.04	-68.01
CC[N@H+](C)CCC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745449	0	54	0.0	-74.45	432.20	1.59	-72.86
CC[N@@H+](C)CCC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745449	1	54	0.0	-74.37	432.20	1.59	-72.78
CC1CCC[N@@H+]1CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745459	0	55	0.0	-70.62	432.05	2.56	-68.06
CC1CCC[N@H+]1CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745459	1	55	0.0	-70.05	437.26	2.17	-67.88
CC1CC[N@H+](CC(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745460	0	55	0.0	-70.49	433.89	2.47	-68.02
CC1CC[N@@H+](CC(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745460	1	55	0.0	-72.93	433.05	2.56	-70.37
CC[C@@H](C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024745462	0	54	0.0	-68.31	418.33	1.81	-66.50
C[NH+](C)CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745498	0	48	0.0	-72.16	387.68	0.81	-71.35
CN1C=C[N+](CC(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024745499	0	50	0.0	-70.22	423.33	3.90	-66.32
C[N@@H+]1CCCC(C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745502	0	55	0.0	-72.68	432.24	2.42	-70.26
C[N@H+]1CCCC(C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745502	1	55	0.0	-67.52	430.44	2.23	-65.29
CC(C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024745509	1	52	0.0	-68.99	415.88	1.88	-67.11
C[NH+](C)CC(C)(C)C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745512	0	57	0.0	-71.80	437.52	2.54	-69.26
C[N@H+](CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024745519	0	52	0.0	-69.12	416.94	2.22	-66.90
C[N@@H+](CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024745519	1	52	0.0	-70.55	421.50	1.80	-68.75
C[NH+]1CC(CC(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745530	0	52	0.0	-74.36	423.54	1.21	-73.15
C[C@@H](C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024745542	0	51	0.0	-71.85	410.22	0.79	-71.06
[N-]=[N+]=NCC(=O)NC1CCC(NC(=O)CSC2=NC(=O)NN2)CC1	REAL300024745549	0	42	0.0	-25.26	364.65	-3.58	-28.84
C[C@@H](C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024745580	0	51	0.0	-71.85	410.22	0.79	-71.06
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745583	0	55	0.0	-70.04	424.76	1.84	-68.20
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745583	1	55	0.0	-69.20	429.65	2.41	-66.79
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(NC(=O)C[NH+]2CCC2)CC1	REAL300024745610	1	49	0.0	-72.88	402.20	0.81	-72.07
C[N@@H+]1CCC(=CC(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745619	0	53	0.0	-76.52	429.99	1.96	-74.56
C[N@H+]1CCC(=CC(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745619	1	53	0.0	-76.38	426.52	2.36	-74.02
C[C@H](C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024745637	0	51	0.0	-71.01	405.81	1.23	-69.78
CC1C[NH+](CC(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745653	1	52	0.0	-72.06	417.76	1.97	-70.09
C[N@H+](CCO)CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745666	1	52	0.0	-71.96	415.76	-1.76	-73.72
C[N@@H+](CCO)CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745666	1	52	0.0	-72.96	419.97	-2.19	-75.15
CC(CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024745678	0	57	0.0	-74.67	449.13	2.40	-72.27
CC[N@H+](C)CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745680	0	51	0.0	-72.44	409.83	1.06	-71.38
CC[N@@H+](C)CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745680	1	51	0.0	-72.53	409.83	1.07	-71.46
CC[N@H+](CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024745690	0	55	0.0	-69.29	441.30	2.44	-66.85
CC[N@@H+](CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024745690	1	55	0.0	-69.65	441.51	2.46	-67.19
CC[NH+](CC)CCC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024745696	0	57	0.0	-73.49	450.06	2.30	-71.19
CC1(C)C[NH+](CC(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024745704	1	55	0.0	-72.01	438.08	2.38	-69.63
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CC[NH+](CC)CC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024747186	0	54	0.0	-71.20	423.69	1.47	-69.73
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(NC(=O)C[NH+]2CCC2)CC1	REAL300024747191	1	49	0.0	-72.88	402.20	0.81	-72.07
CC[NH+](CC)CCC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024747209	0	57	0.0	-73.49	450.06	2.30	-71.19
CC(C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024747237	1	52	0.0	-68.99	415.88	1.88	-67.11
C[NH+](C)CC(C)(C)C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024747241	0	57	0.0	-71.80	437.52	2.54	-69.26
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024747261	0	55	0.0	-70.04	424.76	1.84	-68.20
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024747261	1	55	0.0	-69.20	429.65	2.41	-66.79
C=CCC(C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024747280	0	55	0.0	-67.56	430.73	2.27	-65.29
NC(=[NH2+])SCC(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024747303	0	46	0.0	-74.99	400.02	-2.67	-77.66
CCC1C[NH+](CC(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024747358	1	55	0.0	-73.77	444.76	2.25	-71.52
C[N@@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024747362	0	52	0.0	-69.30	417.79	1.35	-67.95
C[N@H+]1CCC[C@H]1C(=O)NC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024747362	1	52	0.0	-73.06	412.15	0.95	-72.11
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(NC(=O)C[NH+]2CCCCC2)CC1	REAL300024747369	0	55	0.0	-72.37	433.82	2.26	-70.11
CC1C(C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024747373	0	55	0.0	-71.12	433.68	2.35	-68.77
CC1C(C(=O)NC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024747373	1	55	0.0	-73.24	423.08	1.87	-71.37
CC(CNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747577	0	45	0.0	-65.95	370.56	-0.64	-66.59
CC(CNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747577	1	45	0.0	-64.41	376.85	-0.13	-64.54
CC(CNC(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747601	1	46	0.0	-69.19	380.83	-0.91	-70.10
CC(CNC(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747601	1	46	0.0	-73.70	387.91	-0.75	-74.45
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747776	1	52	0.0	-61.94	435.94	1.96	-59.98
CC(CNC(=O)C(C)[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747783	0	54	0.0	-64.00	421.62	1.59	-62.41
CC(CNC(=O)C1CCCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747785	0	54	0.0	-61.74	417.51	1.37	-60.37
CC(CNC(=O)C1CCCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747785	1	54	0.0	-61.17	423.65	1.31	-59.86
CC(CNC(=O)C1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747811	0	51	0.0	-62.34	409.33	0.92	-61.42
CC(CNC(=O)C1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747811	1	51	0.0	-63.68	403.01	1.05	-62.63
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747835	0	52	0.0	-65.84	418.05	1.55	-64.29
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747835	1	52	0.0	-66.69	418.03	1.49	-65.20
CC(C)C1=[NH+]C=CN1CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747862	1	49	0.0	-63.01	416.18	1.53	-61.48
CC1=[NH+]C=CN1CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747909	1	43	0.0	-64.60	379.96	0.42	-64.18
CC(CNC(=O)C(C)C[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747911	0	52	0.0	-68.89	421.84	-0.47	-69.36
CC(CNC(=O)CCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747930	0	54	0.0	-68.04	435.58	2.01	-66.03
CC(CNC(=O)C(C)(C)[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747953	0	54	0.0	-63.02	419.91	1.77	-61.25
CC(CNC(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024747967	0	49	0.0	-69.58	391.90	0.60	-68.98
CC(CNC(=O)C1CCCC2CCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748017	0	52	0.0	-60.71	414.88	1.65	-59.06
CC(CNC(=O)C1CCCC2CCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748017	1	52	0.0	-60.96	414.84	1.64	-59.32
CC(CNC(=O)C1=CN(CC[NH+](C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748019	0	51	0.0	-75.46	434.84	0.30	-75.16
CC(CNC(=O)C1=NN(CC[NH+](C)C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748029	0	51	0.0	-71.57	435.22	0.30	-71.27
CC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748035	0	48	0.0	-67.98	388.09	0.01	-67.97
CC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748035	1	48	0.0	-67.62	393.36	0.06	-67.56
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748038	1	52	0.0	-62.03	436.48	2.01	-60.02
CC[C@@H]1[C@@H](C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024748041	0	51	0.0	-67.64	407.49	0.50	-67.14
CC[C@@H]1[C@@H](C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024748041	1	51	0.0	-65.89	411.28	1.05	-64.84
CC[N@@H+]1CCOC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024748064	1	49	0.0	-68.00	398.59	-0.27	-68.27
CC[N@H+]1CCOC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024748064	1	49	0.0	-68.40	398.62	-0.26	-68.66
CC[NH+](CC)CC(F)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748116	0	50	0.0	-67.37	412.46	0.71	-66.66
CC(CNC(=O)C1=C(C[NH+](C)C)C=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748117	0	48	0.0	-62.96	415.66	1.42	-61.54
CC(CNC(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748208	0	51	0.0	-62.94	407.57	0.68	-62.26
CC(CNC(=O)CCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748214	0	51	0.0	-67.88	420.36	1.34	-66.54
CC(CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748215	0	51	0.0	-70.81	428.69	2.28	-68.53
C#CC[NH+]1CCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024748221	0	50	0.0	-70.67	420.30	1.67	-69.00
CC(CNC(=O)CC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748222	0	51	0.0	-67.77	414.08	1.21	-66.56
CC(CNC(=O)C1=CC=CC=C1C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748226	0	51	0.0	-62.57	421.36	2.51	-60.06
CC[N@@H+]1CCCCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748232	0	51	0.0	-63.45	400.87	0.88	-62.57
CC[N@H+]1CCCCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748232	1	51	0.0	-63.62	400.88	0.88	-62.74
CC(C)C(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024748233	0	57	0.0	-62.05	436.18	2.77	-59.28
CC(CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748236	1	51	0.0	-65.59	425.22	2.31	-63.28
CC(C)C[N@@H+]1CCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024748256	0	54	0.0	-66.43	434.98	1.78	-64.65
CC(C)C[N@H+]1CCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024748256	1	54	0.0	-67.64	436.28	1.76	-65.88
CC(CNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748260	0	48	0.0	-66.42	381.38	0.33	-66.09
CC(CNC(=O)C(CN1C=CC=N1)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748261	1	51	0.0	-62.38	419.71	0.39	-61.99
CC(CNC(=O)CC1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748266	0	54	0.0	-61.50	420.99	0.91	-60.59
CC(CNC(=O)CC1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748266	1	54	0.0	-60.94	419.75	1.34	-59.60
CC(CNC(=O)C1CCC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748267	0	55	0.0	-64.64	426.48	2.14	-62.50
CC(CNC(=O)C1CCC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748267	1	55	0.0	-62.54	433.79	2.18	-60.36
CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748283	0	50	0.0	-65.29	399.83	1.02	-64.27
CC(CNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748337	0	48	0.0	-65.45	396.65	0.78	-64.67
CC(CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748337	1	48	0.0	-65.27	396.75	0.78	-64.49
CC(CNC(=O)C(C)[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748410	0	54	0.0	-60.99	419.89	1.26	-59.73
CC(CNC(=O)CCN(C)C1=CC=[NH+]C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748471	0	50	0.0	-65.33	425.27	0.48	-64.85
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748479	1	47	0.0	-64.37	397.18	0.58	-63.79
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748479	1	47	0.0	-64.33	403.08	1.10	-63.23
CC(CNC(=O)CCC1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748486	0	51	0.0	-67.41	412.49	0.84	-66.57
CC(CNC(=O)CCC1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748486	1	51	0.0	-68.36	417.92	1.30	-67.06
CC(CNC(=O)C12CCC[NH+](CCC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748498	0	52	0.0	-68.08	407.92	1.00	-67.08
CC(CNC(=O)C1CCC2CCCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748505	0	52	0.0	-61.64	417.89	1.69	-59.95
CC(CNC(=O)C1CCC2CCCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748505	1	52	0.0	-61.58	418.38	1.74	-59.84
CC(CNC(=O)CCCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748530	0	54	0.0	-68.23	441.86	2.11	-66.12
CC(CNC(=O)C[N@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748532	1	51	0.0	-70.78	427.24	2.40	-68.38
CC(CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748532	1	51	0.0	-70.87	427.19	2.40	-68.47
CC(CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748546	0	48	0.0	-69.32	395.11	0.46	-68.86
CC(CNC(=O)C1=NOC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748596	1	47	0.0	-75.64	408.63	-0.23	-75.87
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=CC2=C[NH+]=CN21	REAL300024748597	0	46	0.0	-67.03	402.85	2.54	-64.49
CC(CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748632	0	48	0.0	-64.90	383.17	0.23	-64.67
CC(CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748632	1	48	0.0	-64.08	392.49	0.40	-63.68
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748657	0	54	0.0	-64.29	425.00	2.05	-62.24
CC(C)C[N@H+]1CCCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748657	1	54	0.0	-63.52	435.27	1.99	-61.53
CC(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748777	0	43	0.0	-68.02	380.70	2.29	-65.73
CC1=[NH+]C=CN1CCCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748787	1	49	0.0	-65.34	421.50	1.71	-63.63
CC(CNC(=O)C1=CC=C(C[NH+](C)C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748795	0	51	0.0	-72.52	428.67	2.29	-70.23
CC(CNC(=O)CC[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748796	1	49	0.0	-70.82	405.80	-1.18	-72.00
CC1=C[NH+]=CN1CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748832	1	43	0.0	-67.21	379.25	1.11	-66.10
CC(CNC(=O)CN1C=[NH+]C2=C1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748839	1	50	0.0	-65.91	422.13	2.88	-63.03
CC(CNC(=O)C1(C[NH+](C)C)CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748877	0	57	0.0	-68.42	435.21	2.45	-65.97
CC(CNC(=O)CC[N@H+](C)C1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748883	0	57	0.0	-68.67	448.94	2.41	-66.26
CC(CNC(=O)CC[N@@H+](C)C1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748883	1	57	0.0	-68.67	448.94	2.39	-66.28
CC(CNC(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748885	0	49	0.0	-63.85	395.19	0.79	-63.06
CC(CNC(=O)C1CCCC([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748922	0	54	0.0	-64.60	422.84	1.46	-63.14
CC(CNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748925	0	48	0.0	-69.21	396.39	0.40	-68.81
CC(CNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748925	1	48	0.0	-69.28	397.08	0.40	-68.88
CC(CNC(=O)C1=C[NH+]=CC=C1N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748937	0	47	0.0	-69.48	401.42	-0.38	-69.86
CCC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024748942	0	47	0.0	-64.87	380.95	-0.19	-65.06
CC(CNC(=O)CC1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024748959	0	54	0.0	-68.51	414.36	1.23	-67.28
CC(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749008	1	43	0.0	-69.96	380.97	2.30	-67.66
CC(CNC(=O)CCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749072	0	50	0.0	-69.52	415.89	0.93	-68.59
CC(C)C(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024749092	0	50	0.0	-64.91	394.86	0.32	-64.59
CCC[N@H+](C)CCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749094	0	50	0.0	-68.77	412.13	0.76	-68.01
CCC[N@@H+](C)CCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749094	1	50	0.0	-68.85	412.12	0.76	-68.09
CCC[N@H+](C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749100	0	47	0.0	-67.22	389.76	0.21	-67.01
CCC[N@@H+](C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749100	1	47	0.0	-67.24	389.76	0.21	-67.03
CC(CNC(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749127	0	49	0.0	-69.29	392.46	0.02	-69.27
CC(CNC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749127	1	49	0.0	-67.63	392.11	0.02	-67.61
CC(CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749174	0	45	0.0	-64.27	375.66	-0.13	-64.40
CC(CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749174	1	45	0.0	-66.02	370.49	-0.65	-66.67
CC(CNC(=O)C1CCC2CC(C)C[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749198	0	55	0.0	-60.64	432.75	2.38	-58.26
CC(CNC(=O)C1CCC2CC(C)C[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749198	1	55	0.0	-61.53	432.77	2.34	-59.19
CCCCCC[N@H+](C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749242	0	56	0.0	-68.32	454.25	2.56	-65.76
CCCCCC[N@@H+](C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749242	1	56	0.0	-68.34	454.26	2.57	-65.77
CC[NH+](CC)C(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024749248	0	56	0.0	-61.43	430.87	2.03	-59.40
CC[NH+](CC)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749257	0	47	0.0	-65.41	386.63	0.17	-65.24
CCC[N@@H+]1CCCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024749290	0	54	0.0	-66.50	434.30	1.82	-64.68
CCC[N@H+]1CCCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024749290	1	54	0.0	-66.53	434.29	1.82	-64.71
CC(CNC(=O)C1C[N@@H+](C(C)C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749311	0	52	0.0	-66.79	415.38	0.25	-66.54
CC(CNC(=O)C1C[N@H+](C(C)C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749311	1	52	0.0	-66.32	415.36	0.27	-66.05
CC(CNC(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749346	0	51	0.0	-67.04	413.49	1.29	-65.75
CC(CNC(=O)COC1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749380	0	52	0.0	-72.86	430.48	0.90	-71.96
CC(CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749395	0	48	0.0	-67.00	402.33	0.58	-66.42
CC1=[NH+]C=C2CCC(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)CN21	REAL300024749396	1	50	0.0	-61.64	418.87	1.56	-60.08
CC(CNC(=O)C1CC[NH+](C(C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749485	0	54	0.0	-67.12	425.78	1.41	-65.71
CC(CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749507	0	48	0.0	-69.32	395.11	0.46	-68.86
CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749527	0	50	0.0	-65.16	399.28	1.02	-64.14
CCC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024749561	0	53	0.0	-61.98	413.13	0.83	-61.15
CC[N@H+](C)CCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749634	0	47	0.0	-68.21	390.63	0.03	-68.18
CC[N@@H+](C)CCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749634	1	47	0.0	-68.21	390.63	0.02	-68.19
CC(CNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749698	0	48	0.0	-64.43	395.69	0.58	-63.85
CC(CNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749698	1	48	0.0	-63.98	389.24	0.18	-63.80
CC(CNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749700	0	48	0.0	-66.50	396.10	0.55	-65.95
CC(CNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749700	1	48	0.0	-66.34	396.09	0.53	-65.81
CC1=[NH+]C=C2CC(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300024749702	1	50	0.0	-63.34	419.76	1.55	-61.79
CC(CNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749705	0	51	0.0	-66.31	416.10	1.06	-65.25
CC(CNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749705	1	51	0.0	-66.16	415.56	1.06	-65.10
CC(CNC(=O)C[N@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749706	0	53	0.0	-66.63	420.31	1.36	-65.27
CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749706	1	53	0.0	-66.90	418.37	1.21	-65.69
CC[C@@H](C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024749717	0	47	0.0	-65.42	383.17	-0.04	-65.46
CC(CNC(=O)C1CC[NH+](CC2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749799	0	55	0.0	-69.62	444.32	2.67	-66.95
CC(CNC(=O)CC1(O)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749927	0	52	0.0	-69.29	421.07	-0.88	-70.17
CC(CNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749940	0	41	0.0	-67.71	350.53	-1.21	-68.92
CC(CNC(=O)C[NH+]1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749945	1	52	0.0	-68.75	424.32	-2.01	-70.76
CC(CNC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749949	0	51	0.0	-66.37	401.61	0.85	-65.52
CC(CNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749954	0	43	0.0	-65.44	381.77	2.32	-63.12
CC(CNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749963	0	48	0.0	-62.98	388.85	0.62	-62.36
CC(CNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749963	1	48	0.0	-62.99	388.87	0.62	-62.37
CC(CNC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749968	0	49	0.0	-64.15	402.99	0.80	-63.35
CC(CNC(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024749968	1	49	0.0	-64.12	401.00	0.65	-63.47
CC(CNC(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750000	1	45	0.0	-65.05	380.54	-0.26	-65.31
CCC(CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024750008	0	53	0.0	-65.21	425.77	1.41	-63.80
CC(CNC(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750016	0	50	0.0	-65.56	399.67	0.66	-64.90
CC(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750036	0	50	0.0	-62.58	407.51	1.43	-61.15
CC(CNC(=O)C12CC(C1)C[N@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750036	1	50	0.0	-62.82	406.73	2.24	-60.58
CC(CNC(=O)C[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750051	1	49	0.0	-70.81	403.34	-2.67	-73.48
CC(CNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750052	0	45	0.0	-65.05	379.94	0.21	-64.84
CC(CNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750052	1	45	0.0	-64.99	379.94	0.20	-64.79
CC(CNC(=O)C(C)N1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750053	1	53	0.0	-68.27	423.79	-1.37	-69.64
CC(CNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750076	0	45	0.0	-68.42	381.97	-0.38	-68.80
CC(CNC(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750080	0	52	0.0	-65.13	417.19	1.25	-63.88
CC(CNC(=O)C1CC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750080	1	52	0.0	-65.00	416.59	1.24	-63.76
CC(CNC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750088	0	51	0.0	-63.05	412.08	0.54	-62.51
CC(CNC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750088	1	51	0.0	-63.19	412.02	0.51	-62.68
CC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750100	0	44	0.0	-65.56	368.64	-0.80	-66.36
CC(CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024750115	0	35	0.0	-23.19	327.49	-5.60	-28.79
CCC1CCC[N@H+](CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024750147	0	54	0.0	-66.91	431.52	1.92	-64.99
CCC1CCC[N@@H+](CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024750147	1	54	0.0	-66.85	431.50	1.91	-64.94
CC(CNC(=O)C1=CC=C(C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751150	1	48	0.0	-68.94	415.11	0.61	-68.33
CC(CNC(=O)C1=CC=C(C[NH+](C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751155	0	50	0.0	-70.59	424.48	0.43	-70.16
CC(CNC(=O)C=CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751169	0	49	0.0	-69.47	411.09	1.08	-68.39
CC(CNC(=O)C1CC[NH+](C2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751194	0	52	0.0	-66.78	419.98	1.67	-65.11
CC(CNC(=O)C1([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751215	0	45	0.0	-66.74	374.31	-0.18	-66.92
CC(CNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751217	0	48	0.0	-67.76	398.86	0.54	-67.22
CC(CNC(=O)C1C[NH+]2CCN1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751259	0	48	0.0	-70.96	386.81	-2.74	-73.70
CC(CNC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751269	0	46	0.0	-65.58	380.73	0.16	-65.42
CC(CNC(=O)C12CC(C1)C[N@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751269	1	46	0.0	-65.56	382.78	-0.05	-65.61
CC(CNC(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751283	0	49	0.0	-64.89	396.97	0.90	-63.99
CC(CNC(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751283	1	49	0.0	-64.92	396.98	0.90	-64.02
CC(CNC(=O)CC1CC[NH+](C(C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751294	0	57	0.0	-65.57	444.40	2.13	-63.44
CC(CNC(=O)C=C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751341	0	50	0.0	-66.58	406.67	1.19	-65.39
CC(CNC(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751352	1	47	0.0	-65.13	390.02	0.76	-64.37
CC(CNC(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751352	1	47	0.0	-65.12	389.88	0.78	-64.34
CC[NH+]1CCN(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024751388	0	53	0.0	-67.35	427.29	-1.01	-68.36
CC(CNC(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751411	0	47	0.0	-64.15	388.73	0.16	-63.99
CC(CNC(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751500	0	51	0.0	-68.31	409.79	0.99	-67.32
CC(CNC(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751500	1	51	0.0	-62.17	402.29	0.87	-61.30
CC1=C2C=C(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024751520	1	46	0.0	-67.63	402.89	2.87	-64.76
CC(CNC(=O)C(C)[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751521	1	48	0.0	-64.57	399.73	0.49	-64.08
CC(CNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751525	1	45	0.0	-65.86	381.87	-0.11	-65.97
CC(CNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751525	1	45	0.0	-65.76	381.81	-0.08	-65.84
CC(CNC(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751530	0	48	0.0	-71.73	403.23	-2.20	-73.93
CC(CNC(=O)C1C[N@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751563	1	49	0.0	-74.06	409.13	-0.02	-74.08
CC(CNC(=O)C1C[N@@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751563	1	49	0.0	-72.92	402.40	-0.04	-72.96
CC(CNC(=O)CC[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751574	0	52	0.0	-71.42	425.17	-2.14	-73.56
CCC[N@@H+]1CCCCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751577	0	54	0.0	-63.94	422.38	1.62	-62.32
CCC[N@H+]1CCCCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751577	1	54	0.0	-63.18	431.82	1.78	-61.40
CC[NH+]1CCN(CCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024751582	0	56	0.0	-67.89	447.98	-0.69	-68.58
CCN1CC[NH+](CCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024751582	1	56	0.0	-68.90	449.14	-0.54	-69.44
CC(CNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751585	0	55	0.0	-66.60	420.92	1.55	-65.05
CC(CNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751585	1	55	0.0	-61.57	425.21	2.27	-59.30
CC(C)C[NH+]1CCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024751626	0	57	0.0	-68.74	451.60	2.55	-66.19
CC(CNC(=O)CN1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751651	0	56	0.0	-69.20	443.87	-0.50	-69.70
CC(CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751671	0	48	0.0	-68.08	400.13	0.52	-67.56
CC(CNC(=O)C(C)CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751679	0	50	0.0	-68.87	410.57	0.67	-68.20
CC(CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751705	0	52	0.0	-65.39	421.31	-1.81	-67.20
CC(CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751705	1	52	0.0	-63.99	421.34	-1.79	-65.78
C#CC[N@H+]1CCCCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751714	1	50	0.0	-63.56	417.77	1.58	-61.98
C#CC[N@@H+]1CCCCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751714	1	50	0.0	-64.15	408.43	1.43	-62.72
CC(CNC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751718	1	50	0.0	-68.85	409.94	-1.67	-70.52
CC[NH+]1CCN(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024751728	0	53	0.0	-67.35	427.29	-1.01	-68.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C	REAL300024751905	0	45	0.0	-66.95	370.53	-0.63	-67.58
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300024751905	1	45	0.0	-66.93	370.54	-0.63	-67.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CCO1	REAL300024751931	1	46	0.0	-69.47	380.78	-0.90	-70.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CCO1	REAL300024751931	1	46	0.0	-72.72	380.81	-0.89	-73.61
CC1=[NH+]C=CN1CCCC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024752094	1	49	0.0	-66.27	421.50	1.71	-64.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300024752102	0	51	0.0	-73.39	428.67	2.30	-71.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCOCC1	REAL300024752103	1	49	0.0	-72.54	405.80	-1.18	-73.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+]1CCC2	REAL300024752135	0	49	0.0	-66.24	395.19	0.81	-65.43
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024752150	1	43	0.0	-71.56	380.97	2.33	-69.23
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300024752216	0	54	0.0	-63.99	422.83	1.49	-62.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300024752219	0	48	0.0	-69.72	396.37	0.40	-69.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300024752219	1	48	0.0	-70.87	396.97	0.40	-70.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300024752231	0	47	0.0	-72.59	401.25	-0.38	-72.97
CCC(C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024752236	0	47	0.0	-66.35	381.19	-0.18	-66.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300024752286	0	55	0.0	-61.67	432.81	2.35	-59.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300024752286	1	55	0.0	-65.87	438.45	2.17	-63.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+](C)C	REAL300024752313	0	50	0.0	-70.32	415.89	0.95	-69.37
CC(C)C(C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024752335	0	50	0.0	-66.29	395.75	1.09	-65.20
CCC[N@H+](C)CCC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024752337	0	50	0.0	-70.38	412.13	0.76	-69.62
CCC[N@@H+](C)CCC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024752337	1	50	0.0	-70.36	412.12	0.75	-69.61
CCC[N@H+](C)CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024752343	0	47	0.0	-68.73	389.77	0.22	-68.51
CCC[N@@H+](C)CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024752343	1	47	0.0	-68.86	389.76	0.22	-68.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300024752370	0	49	0.0	-68.31	392.14	0.02	-68.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300024752370	1	49	0.0	-73.27	391.38	0.15	-73.12
CCCCCC[N@H+](C)CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024752411	0	56	0.0	-69.88	454.26	2.57	-67.31
CCCCCC[N@@H+](C)CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024752411	1	56	0.0	-69.97	454.25	2.57	-67.40
CC[NH+](CC)C(C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024752417	0	56	0.0	-61.94	430.82	2.05	-59.89
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(C)CC1	REAL300024752453	0	51	0.0	-68.92	413.49	1.31	-67.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COC1CC[NH+](C)CC1	REAL300024752487	0	52	0.0	-73.44	430.48	0.90	-72.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024752549	0	52	0.0	-68.94	418.05	1.57	-67.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024752549	1	52	0.0	-66.92	417.98	1.54	-65.38
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CC1	REAL300024752561	0	48	0.0	-67.43	402.32	0.60	-66.83
CC1=[NH+]C=C2CCC(C(=O)NC(C)CNC(=O)CSC3=NNC(=O)[N-]3)CN21	REAL300024752562	1	50	0.0	-62.65	418.87	1.57	-61.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C(C)C)CC1	REAL300024752574	0	54	0.0	-69.25	425.78	1.42	-67.83
CC[N@H+](C)CCC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024752601	0	47	0.0	-69.65	390.63	0.03	-69.62
CC[N@@H+](C)CCC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024752601	1	47	0.0	-69.69	390.63	0.01	-69.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300024752630	0	54	0.0	-66.09	418.03	1.80	-64.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+]2CCC1CC2	REAL300024752644	0	49	0.0	-73.24	391.89	0.62	-72.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024752727	0	48	0.0	-70.36	395.13	0.46	-69.90
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C(C)C)[NH+](C)C	REAL300024752747	0	50	0.0	-66.15	400.66	0.83	-65.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300024752820	0	55	0.0	-71.60	444.32	2.68	-68.92
CC[NH+](CC)CC(F)C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024752860	0	50	0.0	-69.93	413.85	0.82	-69.11
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(C[NH+](C)C)C=CS1	REAL300024752861	0	48	0.0	-61.94	416.15	1.40	-60.54
CC(C)C[N@@H+]1CCC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024752899	0	54	0.0	-68.42	435.37	1.81	-66.61
CC(C)C[N@H+]1CCC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024752899	1	54	0.0	-67.27	434.83	1.79	-65.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCC1	REAL300024752903	0	48	0.0	-68.79	389.73	0.43	-68.36
CCC(C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024752937	0	53	0.0	-62.56	416.66	1.11	-61.45
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300024752960	0	48	0.0	-65.55	389.23	0.20	-65.35
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1C	REAL300024752960	1	48	0.0	-65.57	389.21	0.19	-65.38
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024753038	1	52	0.0	-62.99	435.94	1.96	-61.03
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCCCCC1	REAL300024753045	0	54	0.0	-65.42	421.62	1.59	-63.83
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C(C)C	REAL300024753047	0	54	0.0	-63.04	423.73	1.31	-61.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C(C)C	REAL300024753047	1	54	0.0	-62.87	417.48	1.39	-61.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C(C)C	REAL300024753073	0	51	0.0	-63.78	409.50	0.92	-62.86
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C(C)C	REAL300024753073	1	51	0.0	-66.04	397.62	0.86	-65.18
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300024753078	1	51	0.0	-63.50	419.71	0.41	-63.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCC[N@@H+]1C(C)C	REAL300024753083	0	54	0.0	-66.23	429.97	1.45	-64.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCC[N@H+]1C(C)C	REAL300024753083	1	54	0.0	-61.34	419.73	1.35	-59.99
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300024753084	0	55	0.0	-64.70	433.38	2.35	-62.35
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300024753084	1	55	0.0	-65.33	423.59	2.25	-63.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C(C)C)[NH+](C)C	REAL300024753100	0	50	0.0	-66.18	400.41	0.89	-65.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300024753123	0	48	0.0	-67.66	395.87	0.49	-67.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)C1	REAL300024753123	1	48	0.0	-67.98	396.06	0.56	-67.42
CC1=[NH+]C=C2CC(C(=O)NC(C)CNC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300024753125	1	50	0.0	-65.62	419.04	1.54	-64.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024753128	0	51	0.0	-68.05	415.77	1.05	-67.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300024753128	1	51	0.0	-68.01	415.49	1.08	-66.93
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300024753129	0	53	0.0	-68.52	420.31	1.35	-67.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300024753129	1	53	0.0	-68.64	418.37	1.22	-67.42
CC[C@@H](C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024753140	0	47	0.0	-67.15	383.17	-0.04	-67.19
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300024753287	0	50	0.0	-66.98	425.27	0.48	-66.50
CC1=[NH+]C=CN1CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024753387	1	43	0.0	-65.29	379.96	0.43	-64.86
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)C[NH+]1CCOCC1	REAL300024753389	0	52	0.0	-70.49	421.84	-0.46	-70.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCCC1	REAL300024753408	0	54	0.0	-69.05	435.58	2.00	-67.05
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024753428	1	47	0.0	-75.13	409.65	-0.16	-75.29
CC1=C(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C=CC2=C[NH+]=CN21	REAL300024753429	0	46	0.0	-67.31	402.57	2.56	-64.75
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024753465	1	49	0.0	-64.07	416.17	1.55	-62.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300024753513	0	52	0.0	-62.22	415.08	1.67	-60.55
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300024753513	1	52	0.0	-62.00	415.06	1.65	-60.35
CC[N@@H+]1CCOC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024753545	1	49	0.0	-73.81	405.72	-0.08	-73.89
CC[N@H+]1CCOC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024753545	1	49	0.0	-68.56	398.61	-0.27	-68.83
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024753606	0	43	0.0	-68.77	380.70	2.32	-66.45
CC1=C[NH+]=CN1CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024753611	1	43	0.0	-68.55	379.25	1.12	-67.43
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300024753614	0	51	0.0	-75.22	434.84	0.30	-74.92
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300024753624	0	51	0.0	-74.91	435.21	0.33	-74.58
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024753630	0	48	0.0	-69.72	387.18	-0.21	-69.93
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024753630	1	48	0.0	-70.24	393.40	0.06	-70.18
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024753633	1	52	0.0	-63.06	436.48	2.02	-61.04
CC[C@@H]1[C@@H](C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024753636	0	51	0.0	-69.53	407.20	0.50	-69.03
CC[C@@H]1[C@@H](C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024753636	1	51	0.0	-66.28	411.39	1.06	-65.22
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1C(C)CCC1C	REAL300024753653	0	51	0.0	-64.54	407.57	0.70	-63.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCC1	REAL300024753659	0	51	0.0	-68.72	420.36	1.34	-67.38
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300024753660	0	51	0.0	-70.46	428.73	2.29	-68.17
C#CC[NH+]1CCC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024753667	0	50	0.0	-72.12	419.82	1.62	-70.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCC1	REAL300024753668	0	51	0.0	-69.30	414.08	1.21	-68.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300024753673	0	51	0.0	-62.35	421.38	2.53	-59.82
CC[N@@H+]1CCCCC1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024753679	0	51	0.0	-63.69	410.32	1.04	-62.65
CC[N@H+]1CCCCC1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024753679	1	51	0.0	-63.58	410.32	1.04	-62.54
CC(C)C(C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024753680	0	57	0.0	-63.87	432.89	2.81	-61.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300024753683	1	51	0.0	-67.94	425.22	2.32	-65.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=[NH+]C2=C1CCCC2	REAL300024753688	1	50	0.0	-67.74	422.12	2.89	-64.85
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300024753727	0	57	0.0	-72.50	427.42	2.17	-70.33
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)C1CCCCC1	REAL300024753733	0	57	0.0	-70.04	448.94	2.41	-67.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300024753733	1	57	0.0	-70.07	448.94	2.39	-67.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+](C)C)CCCC1	REAL300024753734	0	54	0.0	-70.12	414.36	1.22	-68.90
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCC1	REAL300024753928	0	48	0.0	-66.79	396.66	0.79	-66.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCC1	REAL300024753928	1	48	0.0	-66.56	396.75	0.80	-65.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1C(C)CCC1C	REAL300024753958	0	54	0.0	-62.38	419.89	1.27	-61.11
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+]1CCCC1	REAL300024753973	0	54	0.0	-68.99	441.86	2.12	-66.87
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300024753975	1	51	0.0	-72.80	427.24	2.41	-70.39
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300024753975	1	51	0.0	-72.66	427.19	2.41	-70.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024753989	0	48	0.0	-70.36	395.13	0.46	-69.90
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024754044	0	45	0.0	-65.39	376.87	-0.11	-65.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300024754044	1	45	0.0	-66.95	370.52	-0.64	-67.59
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024754068	1	47	0.0	-65.80	397.13	0.59	-65.21
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024754068	1	47	0.0	-65.75	403.06	1.07	-64.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@@H+]1C	REAL300024754075	0	51	0.0	-67.71	412.47	0.82	-66.89
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@H+]1C	REAL300024754075	1	51	0.0	-69.29	417.92	1.30	-67.99
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300024754087	0	52	0.0	-68.58	407.92	1.01	-67.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300024754094	0	52	0.0	-64.32	412.25	1.32	-63.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300024754094	1	52	0.0	-64.30	411.41	1.30	-63.00
CCC[N@@H+]1CCCC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024754177	0	54	0.0	-62.72	428.01	2.05	-60.67
CCC[N@H+]1CCCC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024754177	1	54	0.0	-62.66	428.03	2.03	-60.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C(C)C)CCO1	REAL300024754198	1	52	0.0	-69.67	415.36	0.27	-69.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C(C)C)CCO1	REAL300024754198	1	52	0.0	-66.93	415.34	0.26	-66.67
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024754233	0	48	0.0	-66.31	383.18	0.24	-66.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024754233	1	48	0.0	-66.35	383.19	0.24	-66.11
CC(C)C[N@@H+]1CCCC1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024754259	0	54	0.0	-64.89	435.35	1.99	-62.90
CC(C)C[N@H+]1CCCC1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024754259	1	54	0.0	-64.40	434.84	1.91	-62.49
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300024754277	0	52	0.0	-70.30	424.32	-2.00	-72.30
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300024754312	0	53	0.0	-67.45	423.57	1.75	-65.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300024754330	0	48	0.0	-67.52	397.10	0.20	-67.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300024754330	1	48	0.0	-66.32	396.39	0.40	-65.92
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@@H+]1C	REAL300024754332	0	54	0.0	-67.94	431.92	1.73	-66.21
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@H+]1C	REAL300024754332	1	54	0.0	-68.00	431.61	1.73	-66.27
CC(CNC(=O)CSC1=NC(=O)NN1)NC(=O)CCC(F)(F)CN=[N+]=[N-]	REAL300024754426	0	44	0.0	-21.95	402.42	-3.22	-25.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024754443	0	51	0.0	-65.21	395.55	0.12	-65.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300024754443	1	51	0.0	-65.36	394.44	0.39	-64.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024754464	0	44	0.0	-67.24	368.64	-0.78	-68.02
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300024754483	1	50	0.0	-69.40	424.68	0.84	-68.56
C=CCC(C)(C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024754487	0	51	0.0	-67.29	399.15	1.70	-65.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300024754517	0	48	0.0	-69.17	398.86	0.54	-68.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCO	REAL300024754527	1	45	0.0	-69.41	378.61	-3.75	-73.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCO	REAL300024754527	1	45	0.0	-68.63	378.40	-3.76	-72.39
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024754570	0	51	0.0	-73.92	398.65	-1.89	-75.81
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CCC2	REAL300024754570	1	51	0.0	-76.24	397.42	-1.38	-77.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCSCC1	REAL300024754598	1	49	0.0	-69.74	405.90	0.66	-69.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300024754641	0	49	0.0	-68.23	409.68	1.13	-67.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300024754641	1	49	0.0	-66.98	409.66	1.14	-65.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)CC[S+](C)C	REAL300024754657	0	47	0.0	-68.59	415.38	-1.52	-70.11
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024754679	0	49	0.0	-69.67	395.22	-2.88	-72.55
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300024754679	1	49	0.0	-68.88	393.94	-2.82	-71.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300024754694	0	53	0.0	-66.33	422.79	-1.01	-67.34
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024754694	1	53	0.0	-66.06	421.47	-1.42	-67.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[N@@H+]1CCCC(O)C1	REAL300024754695	0	52	0.0	-65.39	419.52	-2.09	-67.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[N@H+]1CCCC(O)C1	REAL300024754695	1	52	0.0	-65.34	419.51	-2.07	-67.41
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300024754734	0	52	0.0	-67.70	408.27	-0.95	-68.65
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300024754734	1	52	0.0	-66.16	411.13	-1.05	-67.21
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)C1	REAL300024754740	1	45	0.0	-68.62	381.80	-0.10	-68.72
CC[N@@H+]1CCCC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024754747	0	51	0.0	-67.08	412.76	1.09	-65.99
CC[N@H+]1CCCC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024754747	1	51	0.0	-63.20	406.51	1.30	-61.90
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300024754770	0	49	0.0	-63.35	407.97	1.35	-62.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300024754770	1	49	0.0	-64.55	389.67	1.70	-62.85
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+]1CCCC1	REAL300024754819	0	49	0.0	-70.80	411.09	1.10	-69.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300024754844	0	52	0.0	-69.14	424.39	1.88	-67.26
CC[N@H+](C)CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024754894	0	44	0.0	-68.36	368.26	-0.52	-68.88
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC2C=CC1C2	REAL300024754959	0	47	0.0	-65.78	389.66	0.69	-65.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024754959	1	47	0.0	-66.76	389.67	0.77	-65.99
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300024754959	1	47	0.0	-66.76	389.67	0.77	-65.99
CC1=CC=C(NCCC(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024754983	0	50	0.0	-64.46	429.40	0.20	-64.26
CC1=CC=C(NCCC(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)[NH+]=C1	REAL300024754983	1	50	0.0	-64.46	429.40	0.20	-64.26
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300024755109	0	52	0.0	-62.94	404.23	1.36	-61.58
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CCCC2	REAL300024755109	1	52	0.0	-62.94	404.23	1.36	-61.58
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024755120	0	50	0.0	-66.66	397.17	1.33	-65.33
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300024755120	1	50	0.0	-66.66	397.17	1.33	-65.33
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)OCC[NH+](C)C	REAL300024755131	0	51	0.0	-68.60	426.20	0.56	-68.04
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCOCC[NH+](C)C	REAL300024755143	0	51	0.0	-68.81	427.35	-0.39	-69.20
COCCN(C)CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024755145	0	48	0.0	-68.31	400.65	-1.36	-69.67
COCC[N@H+](C)CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024755145	1	48	0.0	-69.60	400.87	-1.35	-70.95
COCC[N@@H+](C)CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024755145	1	48	0.0	-69.60	400.87	-1.35	-70.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC(C)[NH+](C)C	REAL300024755152	0	50	0.0	-68.54	407.82	0.54	-68.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[NH+](C)CC1	REAL300024755175	0	49	0.0	-68.87	404.07	1.10	-67.77
CC[N@H+](CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024755185	0	48	0.0	-65.07	395.78	0.62	-64.45
CC[N@@H+](CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024755185	1	48	0.0	-66.98	391.93	0.72	-66.26
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300024755202	0	51	0.0	-74.39	403.36	-2.16	-76.55
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300024755202	1	51	0.0	-71.12	403.42	-2.15	-73.27
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024755233	0	46	0.0	-67.73	383.43	-0.11	-67.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@H+]2C	REAL300024755233	1	46	0.0	-69.20	382.78	-0.03	-69.23
CC1=[NH+]C(N)=CC=C1C=CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024755243	1	48	0.0	-66.69	415.51	-0.53	-67.22
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300024755251	0	49	0.0	-65.84	394.42	0.72	-65.12
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2CCC1C2	REAL300024755251	1	49	0.0	-66.40	397.55	0.91	-65.49
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[NH+](C(C)C)CC1	REAL300024755265	0	57	0.0	-65.57	444.40	2.13	-63.44
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)C[NH+](C)C	REAL300024755279	0	47	0.0	-69.11	388.93	0.09	-69.02
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CC1	REAL300024755297	0	45	0.0	-70.33	374.26	-0.18	-70.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)[NH+](C)C	REAL300024755324	0	44	0.0	-66.56	368.70	-0.78	-67.34
CC[N@@H+]1CCC1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024755335	1	45	0.0	-66.34	375.38	-0.46	-66.80
CC[N@H+]1CCC1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024755335	1	45	0.0	-66.15	375.10	-0.54	-66.69
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300024755349	0	54	0.0	-66.01	429.44	1.59	-64.42
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300024755349	1	54	0.0	-61.47	423.18	1.82	-59.65
CCC(C)(C)[NH2+]C(C)C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024755368	0	53	0.0	-66.90	415.18	-0.56	-67.46
C#CC[N@H+]1CCCCC1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024755420	1	50	0.0	-65.70	417.82	1.62	-64.08
C#CC[N@@H+]1CCCCC1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024755420	1	50	0.0	-65.63	408.39	1.43	-64.20
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[NH+]=CC=C1N	REAL300024755424	0	41	0.0	-67.68	358.65	-2.69	-70.37
CCCC(C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024755435	0	50	0.0	-67.71	402.44	0.58	-67.13
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+](C)C	REAL300024755443	0	47	0.0	-68.67	375.83	0.03	-68.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)CC[NH+](C)C	REAL300024755467	0	50	0.0	-69.31	410.57	0.71	-68.60
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300024755521	0	55	0.0	-67.75	420.93	1.58	-66.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300024755521	1	55	0.0	-61.37	425.24	2.29	-59.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024755555	0	50	0.0	-64.43	407.24	1.44	-62.99
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024755555	1	50	0.0	-64.19	401.00	2.12	-62.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024755604	0	51	0.0	-67.99	404.59	0.47	-67.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300024755604	1	51	0.0	-67.59	410.44	0.52	-67.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCCC[NH+](C)C	REAL300024755609	0	53	0.0	-69.95	437.39	1.72	-68.23
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCC(O)CC1	REAL300024755614	0	52	0.0	-73.09	425.17	-2.14	-75.23
CCC[N@@H+]1CCCCC1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024755620	0	54	0.0	-65.14	422.40	1.63	-63.51
CCC[N@H+]1CCCCC1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024755620	1	54	0.0	-65.14	422.38	1.63	-63.51
CC[NH+]1CCN(CCC(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024755629	0	56	0.0	-68.67	447.98	-0.69	-69.36
CCN1CC[NH+](CCC(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024755629	1	56	0.0	-70.28	449.14	-0.55	-70.83
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC[NH+](C)CC1	REAL300024755632	1	50	0.0	-68.37	409.94	-1.66	-70.03
CC(C)C[NH+]1CCC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024755753	0	57	0.0	-69.93	451.71	2.56	-67.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CC(C)O1	REAL300024755756	1	49	0.0	-77.91	409.13	0.00	-77.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300024755756	1	49	0.0	-74.53	402.36	-0.02	-74.55
CCC1CCC[N@H+](CC(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024755790	0	54	0.0	-68.74	431.50	1.93	-66.81
CCC1CCC[N@@H+](CC(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024755790	1	54	0.0	-68.66	424.48	1.90	-66.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024755799	0	49	0.0	-73.83	417.10	0.24	-73.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC2CC2C1	REAL300024755820	0	46	0.0	-68.51	385.88	0.70	-67.81
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+]2CCCC2)CC1	REAL300024755838	0	52	0.0	-65.10	415.63	1.55	-63.55
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024755885	0	48	0.0	-66.31	383.18	0.24	-66.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024755885	1	48	0.0	-66.35	383.19	0.24	-66.11
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024755897	0	57	0.0	-67.19	451.71	2.53	-64.66
CC(C)C[N@H+]1CCCC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024755897	1	57	0.0	-67.17	451.70	2.51	-64.66
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC([NH+](C)C)CC1	REAL300024755961	0	56	0.0	-68.60	443.87	-0.49	-69.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@H+](C)C1	REAL300024756031	0	46	0.0	-71.55	388.41	0.39	-71.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300024756031	1	46	0.0	-71.16	389.38	0.36	-70.80
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CNC1=CC=[NH+]C=C1	REAL300024756037	0	44	0.0	-67.54	386.25	-1.91	-69.45
CC(CNC(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300024756096	0	35	0.0	-23.47	327.50	-5.59	-29.06
CC[NH+]1CCN(CC(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024756105	0	53	0.0	-67.25	427.29	-1.00	-68.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1C[NH+]2CCC1CC2	REAL300024756108	0	50	0.0	-66.14	406.67	1.22	-64.92
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)(C)C1	REAL300024757158	1	48	0.0	-68.57	400.95	0.38	-68.19
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+]1CCCCC1	REAL300024757172	0	57	0.0	-69.30	457.08	2.80	-66.50
CC1=C(C)[NH+]=C(CCC(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024757185	1	49	0.0	-63.78	420.77	0.08	-63.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300024757194	0	55	0.0	-65.47	438.81	2.49	-62.98
CC1=C2C=C(C(=O)NC(C)CNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024757202	1	46	0.0	-69.54	402.88	2.90	-66.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSCC[NH+](C)C	REAL300024757213	0	48	0.0	-73.05	417.43	0.74	-72.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1CO	REAL300024757241	0	49	0.0	-65.73	396.33	-2.64	-68.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1CO	REAL300024757241	1	49	0.0	-68.20	400.16	-3.11	-71.31
CC[NH+](CC)CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024757245	0	47	0.0	-66.69	386.63	0.18	-66.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCSC1	REAL300024757256	0	49	0.0	-74.95	409.87	1.04	-73.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCSC1	REAL300024757256	1	49	0.0	-74.66	411.26	1.05	-73.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC1	REAL300024757258	1	42	0.0	-68.66	360.63	-0.77	-69.43
CC[NH+](CC)CCC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024757315	0	50	0.0	-68.71	408.48	0.73	-67.98
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300024757338	0	52	0.0	-79.08	428.18	-2.64	-81.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024757390	0	49	0.0	-70.83	416.91	0.08	-70.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCC(O)CC1	REAL300024757411	0	52	0.0	-69.62	421.42	-2.29	-71.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300024757418	0	50	0.0	-67.94	408.93	-0.86	-68.80
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@H+]2C1	REAL300024757418	1	50	0.0	-68.10	408.94	-0.84	-68.94
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCC1	REAL300024757436	1	45	0.0	-66.95	380.53	-0.26	-67.21
CCC(CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024757446	0	53	0.0	-64.75	425.77	1.42	-63.33
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C[NH+](C)C	REAL300024757455	0	50	0.0	-67.92	396.58	0.54	-67.38
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024757526	0	48	0.0	-65.99	392.51	0.43	-65.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024757526	1	48	0.0	-65.90	383.17	0.25	-65.65
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300024757543	0	51	0.0	-69.80	401.84	-2.29	-72.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CC2C	REAL300024757543	1	51	0.0	-69.47	403.31	-2.21	-71.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC(O)C[NH+](C)C	REAL300024757570	0	48	0.0	-72.67	403.13	-2.17	-74.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300024757573	0	52	0.0	-66.55	388.68	1.11	-65.44
C=CCC(C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024757614	0	48	0.0	-65.81	394.21	0.31	-65.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024757626	0	52	0.0	-68.94	418.05	1.57	-67.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024757626	1	52	0.0	-66.92	417.98	1.54	-65.38
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300024757640	0	51	0.0	-65.54	407.78	0.88	-64.66
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1(O)CC[NH+](C)CC1	REAL300024757644	0	52	0.0	-67.90	418.16	-0.80	-68.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC2CCC(C1)[NH+]2C	REAL300024757667	0	55	0.0	-66.78	416.22	1.25	-65.53
CC(CNC(=O)CSC(N)=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757681	0	39	0.0	-67.92	359.06	-4.33	-72.25
CC[N@@H+]1CCOCC1CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757725	0	52	0.0	-69.50	418.34	-0.70	-70.20
CC(CNC(=O)C1(CC[NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757743	0	57	0.0	-68.58	452.63	2.42	-66.16
CC(CNC(=O)CC[NH+]1C(C)CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757745	0	57	0.0	-64.86	441.12	1.91	-62.95
CC(CNC(=O)C1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757748	0	54	0.0	-69.65	429.35	1.62	-68.03
CC(CNC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757749	0	51	0.0	-67.88	424.29	1.30	-66.58
CC(CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757751	0	54	0.0	-65.28	422.83	1.48	-63.80
CC(CNC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757752	0	49	0.0	-69.24	401.76	0.86	-68.38
CC(CNC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757752	1	49	0.0	-69.24	401.76	0.86	-68.38
CC(CNC(=O)[C@@H](C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757777	0	51	0.0	-66.60	426.19	0.55	-66.05
CC(CNC(=O)C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757809	0	52	0.0	-63.89	393.16	1.31	-62.58
CC(CNC(=O)C(C)[NH+]1CCSCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757945	1	49	0.0	-67.82	405.91	0.65	-67.17
CCC1C[NH+](CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024757947	1	48	0.0	-67.82	403.19	0.66	-67.16
CC(CNC(=O)C1C[NH+](C2CCOCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757949	0	53	0.0	-71.26	433.72	-0.24	-71.50
CC(CNC(=O)C1([NH+]2CCCC2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757951	0	52	0.0	-63.54	410.55	1.51	-62.03
CC(CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757960	1	45	0.0	-64.37	376.33	-0.17	-64.54
CC(CNC(=O)CC[N@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757969	1	48	0.0	-70.64	405.13	0.61	-70.03
COC1C[N@@H+](C)C(C)(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024757977	1	52	0.0	-66.20	420.94	-0.75	-66.95
CC(CNC(=O)CC[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757990	0	54	0.0	-69.10	424.55	1.43	-67.67
CC(CNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757992	0	48	0.0	-66.50	392.64	0.70	-65.80
CC(CNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758002	0	48	0.0	-66.06	396.52	0.36	-65.70
CC(CNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758002	1	48	0.0	-66.10	391.73	0.01	-66.09
CC(CNC(=O)CCC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758004	0	54	0.0	-67.24	431.56	1.71	-65.53
CC(CNC(=O)CCC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758004	1	54	0.0	-67.16	431.89	1.74	-65.42
CC(CNC(=O)C1CC[N@@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758037	0	50	0.0	-69.24	409.46	-0.92	-70.16
CC(CNC(=O)C1CC[N@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758037	1	50	0.0	-65.51	405.65	-0.87	-66.38
CC1=[NH+]C=C2C=CC(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300024758042	0	46	0.0	-63.95	402.12	2.07	-61.88
CC(CNC(=O)CC1COCCN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758061	0	49	0.0	-65.20	393.66	-1.52	-66.72
CC(CNC(=O)CC1COCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758061	1	49	0.0	-65.17	393.66	-1.52	-66.69
CC(CNC(=O)CC1COCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758061	1	49	0.0	-65.20	393.66	-1.52	-66.72
CC1=C(C)[NH+]=C(CCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024758070	1	49	0.0	-62.69	420.77	0.09	-62.60
CCOCC(N=[N+]=[N-])C(=O)NCC(C)NC(=O)CSC1=NC(=O)NN1	REAL300024758076	0	45	0.0	-22.75	403.72	-4.92	-27.67
CC(C)C[N@@H+]1CCCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758084	0	57	0.0	-62.46	445.48	2.72	-59.74
CC(C)C[N@H+]1CCCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758084	1	57	0.0	-65.93	451.71	2.50	-63.43
CC(CNC(=O)C1=CC=NN1CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758125	0	51	0.0	-68.40	430.30	0.27	-68.13
CC(CNC(=O)C1(C2CC[NH+](C)CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758168	0	55	0.0	-65.24	438.81	2.48	-62.76
CC1=C2C=C(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024758176	1	46	0.0	-67.63	402.89	2.87	-64.76
CC(CNC(=O)CSCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758186	0	48	0.0	-72.01	417.43	0.73	-71.28
CC(CNC(=O)C1CC2COCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758196	0	50	0.0	-66.97	408.87	-0.83	-67.80
CC(CNC(=O)C1CC2COCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758196	1	50	0.0	-68.55	409.27	-0.87	-69.42
C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758380	0	46	0.0	-68.34	374.41	0.87	-67.47
C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758380	1	46	0.0	-68.57	376.17	0.97	-67.60
C[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024758404	1	47	0.0	-83.36	386.71	0.41	-82.95
C[N@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024758404	1	47	0.0	-82.35	386.41	0.41	-81.94
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024758560	0	55	0.0	-67.16	421.76	2.45	-64.71
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758562	0	55	0.0	-66.49	416.54	2.29	-64.20
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758562	1	55	0.0	-65.06	424.03	2.51	-62.55
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758582	0	52	0.0	-67.05	407.69	2.03	-65.02
CC(C)[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758582	1	52	0.0	-67.04	409.04	2.03	-65.01
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024758598	0	53	0.0	-72.28	417.86	2.67	-69.61
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024758598	1	53	0.0	-72.54	416.73	2.65	-69.89
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758616	1	50	0.0	-67.10	418.51	2.81	-64.29
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758641	1	44	0.0	-68.68	382.27	1.68	-67.00
CC(C[NH+]1CCOCC1)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758642	0	53	0.0	-74.60	421.66	0.60	-74.00
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300024758657	0	55	0.0	-73.37	438.31	3.36	-70.01
CC(C)(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024758671	0	55	0.0	-68.00	411.68	2.88	-65.12
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024758679	0	50	0.0	-76.19	391.25	1.66	-74.53
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024758714	0	53	0.0	-67.16	406.01	2.19	-64.97
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024758714	1	53	0.0	-67.54	405.59	2.12	-65.42
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024758724	0	49	0.0	-75.05	389.49	1.06	-73.99
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024758724	1	49	0.0	-74.41	394.58	1.30	-73.11
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024758728	0	52	0.0	-73.60	406.17	1.59	-72.01
CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024758728	1	52	0.0	-70.70	409.95	2.11	-68.59
CC[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024758737	1	50	0.0	-80.39	404.22	1.00	-79.39
CC[N@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024758737	1	50	0.0	-80.34	404.19	1.01	-79.33
CC[NH+](CC)CC(F)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758776	0	51	0.0	-73.51	414.50	1.97	-71.54
CC1CCC(C)[NH+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758835	0	52	0.0	-67.97	411.15	2.14	-65.83
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024758841	0	52	0.0	-73.09	421.06	2.54	-70.55
C#CC[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024758845	0	51	0.0	-78.75	418.18	2.69	-76.06
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024758846	0	52	0.0	-73.23	416.80	2.56	-70.67
CC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758850	0	52	0.0	-69.81	404.45	2.00	-67.81
CC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758850	1	52	0.0	-66.60	412.22	2.30	-64.30
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024758862	0	55	0.0	-73.12	436.19	2.95	-70.17
CC(C)C[N@H+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024758862	1	55	0.0	-71.47	434.22	2.92	-68.55
C[NH+](C)C1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024758865	0	49	0.0	-73.63	380.73	1.08	-72.55
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758867	0	55	0.0	-64.41	424.92	2.26	-62.15
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024758867	1	55	0.0	-70.24	432.38	2.76	-67.48
CC(C)[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024758878	0	51	0.0	-69.08	394.48	1.48	-67.60
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024758915	0	49	0.0	-69.73	399.09	2.06	-67.67
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024758915	1	49	0.0	-69.98	398.94	2.06	-67.92
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024758959	0	55	0.0	-67.53	420.83	2.49	-65.04
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759010	1	48	0.0	-68.69	398.06	1.81	-66.88
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759010	1	48	0.0	-70.12	405.85	2.30	-67.82
C[N@@H+]1CCCC1CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759015	0	52	0.0	-74.25	421.58	2.61	-71.64
C[N@H+]1CCCC1CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759015	1	52	0.0	-72.04	415.90	2.17	-69.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024759022	0	53	0.0	-72.70	400.32	1.76	-70.94
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024759025	0	53	0.0	-66.33	417.70	2.90	-63.43
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024759025	1	53	0.0	-67.89	412.10	2.54	-65.35
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300024759040	0	55	0.0	-73.47	444.14	3.43	-70.04
C[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024759051	0	49	0.0	-76.53	393.00	1.47	-75.06
C[NH+](C)CC1=CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024759080	1	48	0.0	-82.19	409.13	1.22	-80.97
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759104	0	49	0.0	-71.10	385.18	1.37	-69.73
C[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759104	1	49	0.0	-67.15	393.67	1.59	-65.56
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759123	0	55	0.0	-68.42	436.75	3.15	-65.27
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759123	1	55	0.0	-68.77	430.41	2.70	-66.07
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024759208	0	44	0.0	-79.08	388.66	3.50	-75.58
CC1=[NH+]C=CN1CCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759214	1	50	0.0	-70.00	424.95	3.06	-66.94
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024759218	1	50	0.0	-76.38	409.27	0.15	-76.23
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759243	1	44	0.0	-71.18	382.63	2.41	-68.77
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024759275	0	50	0.0	-66.48	390.34	1.49	-64.99
C[NH+](C)C1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024759295	0	55	0.0	-67.40	420.76	2.47	-64.93
C[N@@H+]1CCC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024759297	0	49	0.0	-74.36	400.45	1.71	-72.65
C[N@H+]1CCC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024759297	1	49	0.0	-75.10	399.13	1.72	-73.38
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759308	0	48	0.0	-67.69	398.88	0.42	-67.27
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024759313	0	48	0.0	-69.99	382.40	1.13	-68.86
C[NH+](C)C1(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024759323	0	55	0.0	-74.54	417.97	2.55	-71.99
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024759357	1	44	0.0	-81.39	388.77	3.51	-77.88
C[NH+](C)CCCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759402	0	51	0.0	-74.80	418.18	2.26	-72.54
CC(C)C(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024759420	0	51	0.0	-70.08	396.89	1.91	-68.17
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759422	0	51	0.0	-74.34	415.57	2.10	-72.24
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759422	1	51	0.0	-74.43	415.57	2.10	-72.33
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759427	0	48	0.0	-72.05	392.03	1.49	-70.56
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759427	1	48	0.0	-72.03	392.10	1.51	-70.52
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024759447	0	50	0.0	-76.67	385.53	0.90	-75.77
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024759447	1	50	0.0	-77.06	385.36	0.90	-76.16
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759479	0	46	0.0	-70.13	371.55	0.59	-69.54
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759479	1	46	0.0	-69.05	376.01	0.99	-68.06
CCCCCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759526	0	57	0.0	-73.38	456.54	3.85	-69.53
CCCCCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759526	1	57	0.0	-73.39	456.54	3.85	-69.54
CC[NH+](CC)C(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024759529	0	57	0.0	-66.55	429.52	3.00	-63.55
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759537	0	48	0.0	-70.14	388.55	1.43	-68.71
CCC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024759568	0	55	0.0	-73.29	436.83	2.98	-70.31
CCC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024759568	1	55	0.0	-66.00	426.02	3.00	-63.00
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024759582	1	53	0.0	-78.01	420.98	1.50	-76.51
CC(C)[N@H+]1CCOC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024759582	1	53	0.0	-71.08	413.27	1.31	-69.77
CC1CC[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024759609	0	52	0.0	-71.92	416.90	2.61	-69.31
C[NH+]1CCC(OCC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024759632	0	53	0.0	-78.48	433.93	2.28	-76.20
C[NH+](C)CC1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024759642	0	49	0.0	-70.44	402.11	1.71	-68.73
CC(C)[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024759705	0	55	0.0	-73.64	423.67	2.43	-71.21
C[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024759721	0	49	0.0	-76.53	393.00	1.47	-75.06
CC(C)[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024759739	0	51	0.0	-71.25	398.06	1.54	-69.71
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024759769	0	54	0.0	-65.85	415.20	2.21	-63.64
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759819	0	48	0.0	-73.62	394.07	1.36	-72.26
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759819	1	48	0.0	-73.81	392.91	1.35	-72.46
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759868	0	49	0.0	-68.13	400.22	1.77	-66.36
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024759868	1	49	0.0	-69.07	398.16	1.88	-67.19
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024759870	0	49	0.0	-70.60	399.36	1.80	-68.80
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024759870	1	49	0.0	-70.68	400.16	1.82	-68.86
CC1(C)CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024759874	0	52	0.0	-71.33	418.38	2.33	-69.00
CC1(C)CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024759874	1	52	0.0	-70.63	418.93	2.36	-68.27
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024759875	0	54	0.0	-71.91	420.64	2.49	-69.42
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024759875	1	54	0.0	-71.64	422.65	2.63	-69.01
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024759883	0	48	0.0	-69.50	382.80	1.11	-68.39
C[NH+]1CCC(O)(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024760025	0	53	0.0	-73.53	424.62	0.45	-73.08
C[NH+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760036	0	42	0.0	-72.49	352.81	0.09	-72.40
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300024760040	0	53	0.0	-73.08	427.73	-0.70	-73.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024760041	0	52	0.0	-71.49	407.18	2.52	-68.97
CN1C=C[N+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024760045	0	44	0.0	-69.22	385.20	3.64	-65.58
C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760051	0	49	0.0	-72.97	393.02	1.44	-71.53
C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760051	1	49	0.0	-73.53	397.55	1.60	-71.93
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024760056	0	50	0.0	-68.48	405.28	2.03	-66.45
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024760056	1	50	0.0	-69.29	401.85	1.92	-67.37
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024760080	0	46	0.0	-70.11	375.20	0.62	-69.49
CCC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024760084	0	54	0.0	-74.36	425.47	2.62	-71.74
C[NH+](C)CC(C)(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760091	0	51	0.0	-67.45	390.67	1.25	-66.20
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024760106	0	51	0.0	-69.23	407.35	2.58	-66.65
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024760106	1	51	0.0	-69.79	402.91	3.42	-66.37
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024760114	1	50	0.0	-76.11	407.13	-1.36	-77.47
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024760115	0	46	0.0	-68.90	382.08	1.50	-67.40
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024760115	1	46	0.0	-69.41	383.38	1.54	-67.87
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024760116	1	54	0.0	-72.12	419.99	-0.43	-72.55
C[NH+]1CC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760134	0	46	0.0	-73.75	385.27	0.97	-72.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024760138	0	53	0.0	-69.80	419.34	2.65	-67.15
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024760138	1	53	0.0	-71.60	424.70	2.91	-68.69
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760146	0	52	0.0	-68.91	392.64	1.14	-67.77
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760146	1	52	0.0	-68.22	413.98	1.80	-66.42
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024760157	0	45	0.0	-70.16	369.49	0.44	-69.72
[N-]=[N+]=NCC(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024760164	0	36	0.0	-27.22	331.10	-4.31	-31.53
CCC1CCC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760189	0	55	0.0	-70.18	426.39	2.74	-67.44
CCC1CCC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760189	1	55	0.0	-71.47	435.10	3.21	-68.26
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024760196	0	50	0.0	-69.36	415.29	1.43	-67.93
[NH2+]=C1SC=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760238	0	42	0.0	-67.87	379.89	0.27	-67.60
C[N@H+](CCO)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760248	0	49	0.0	-73.67	404.42	-1.85	-75.52
C[N@@H+](CCO)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760248	1	49	0.0	-73.18	403.22	-1.90	-75.08
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024760249	0	45	0.0	-70.16	369.49	0.44	-69.72
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760253	0	49	0.0	-70.96	385.58	1.36	-69.60
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760253	1	49	0.0	-68.87	393.38	1.60	-67.27
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760261	0	52	0.0	-73.54	402.68	-1.25	-74.79
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760261	1	52	0.0	-73.34	402.70	-1.28	-74.62
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024760323	1	43	0.0	-71.77	364.41	0.58	-71.19
C[N@@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760348	0	47	0.0	-79.69	392.24	1.62	-78.07
C[N@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760348	1	47	0.0	-79.57	392.15	1.64	-77.93
C[NH+](C)CCOCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760379	0	49	0.0	-76.20	409.04	1.23	-74.97
CCCCC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760384	0	57	0.0	-75.40	458.56	3.66	-71.74
CCCCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760384	1	57	0.0	-75.65	457.41	3.65	-72.00
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024760393	0	53	0.0	-71.63	428.80	1.95	-69.68
C=CCC(C)(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024760400	0	52	0.0	-65.62	397.62	1.60	-64.02
C[S+](C)CCC(O)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760404	0	48	0.0	-76.45	413.30	-0.47	-76.92
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760429	0	50	0.0	-68.81	391.90	-2.55	-71.36
CN1CC[N@H+](C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760439	0	54	0.0	-70.94	423.70	0.01	-70.93
CN1CC[N@@H+](C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760439	1	54	0.0	-70.94	423.70	0.01	-70.93
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024760440	0	53	0.0	-70.10	420.87	-0.86	-70.96
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760457	0	53	0.0	-71.94	411.71	0.41	-71.53
C[N@H+]1CCCC(O)(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760457	1	53	0.0	-71.94	411.71	0.41	-71.53
CC1CN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760460	0	46	0.0	-71.91	384.14	1.23	-70.68
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760460	1	46	0.0	-71.91	384.14	1.23	-70.68
CN(CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760483	0	46	0.0	-72.52	380.95	-2.48	-75.00
C[N@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760483	1	46	0.0	-72.23	381.84	-2.45	-74.68
C[N@@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760483	1	46	0.0	-72.23	381.84	-2.45	-74.68
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024760504	0	52	0.0	-79.26	400.31	-0.67	-79.93
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024760504	1	52	0.0	-79.26	400.31	-0.67	-79.93
CC[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760509	0	52	0.0	-65.70	404.52	2.27	-63.43
CC[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760509	1	52	0.0	-65.70	404.52	2.27	-63.43
CC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024760511	0	51	0.0	-74.06	411.02	2.16	-71.90
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760518	0	45	0.0	-71.72	370.53	0.75	-70.97
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024760537	0	53	0.0	-66.14	401.80	1.86	-64.28
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024760537	1	53	0.0	-66.14	401.80	1.86	-64.28
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024760542	0	51	0.0	-65.86	393.87	1.67	-64.19
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024760542	1	51	0.0	-65.86	393.87	1.67	-64.19
CC[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024760561	0	49	0.0	-68.73	400.02	2.13	-66.60
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760574	0	51	0.0	-73.21	406.41	1.76	-71.45
CC1(C)CN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760594	0	49	0.0	-71.73	404.50	1.67	-70.06
CC1(C)C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760594	1	49	0.0	-71.73	404.50	1.67	-70.06
CC1(O)CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760618	0	50	0.0	-71.57	410.70	-1.48	-73.05
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760625	0	46	0.0	-80.99	389.45	1.34	-79.65
CC(OCC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760643	0	52	0.0	-72.77	424.56	1.71	-71.06
C[NH+](C)CCOCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760650	0	52	0.0	-72.20	429.63	0.92	-71.28
COCCN(C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760651	0	49	0.0	-72.18	404.10	-0.04	-72.22
COCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760651	1	49	0.0	-72.76	403.15	-0.08	-72.84
COCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760651	1	49	0.0	-72.76	403.15	-0.08	-72.84
C[NH+](C)C1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024760678	0	52	0.0	-67.17	387.96	1.27	-65.90
CC(CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024760681	0	51	0.0	-76.03	406.45	1.84	-74.19
CCN1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760687	0	46	0.0	-71.28	383.74	1.01	-70.27
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760687	1	46	0.0	-68.70	377.32	0.68	-68.02
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760687	1	46	0.0	-68.70	377.32	0.68	-68.02
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760695	0	55	0.0	-66.32	424.12	2.96	-63.36
CC(C)[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024760695	1	55	0.0	-66.32	424.12	2.96	-63.36
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024760706	0	50	0.0	-70.87	402.49	-1.84	-72.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024760728	0	53	0.0	-72.54	416.73	2.65	-69.89
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024760728	1	53	0.0	-72.54	416.73	2.65	-69.89
C[NH+]1CCC(C)(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024760734	0	52	0.0	-72.13	400.83	1.59	-70.54
C[NH+](C)CC1=CNC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024760740	0	50	0.0	-82.50	415.04	1.47	-81.03
C=CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024760760	0	49	0.0	-69.44	395.70	1.57	-67.87
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760770	0	52	0.0	-71.07	406.75	1.72	-69.35
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760770	1	52	0.0	-71.07	406.75	1.72	-69.35
C[NH+](C)CCCCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760773	0	54	0.0	-73.91	439.67	3.04	-70.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024760781	0	47	0.0	-71.65	389.43	2.00	-69.65
CC1C[N@@H+]2CCN1C(C(=O)N1CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024760806	0	52	0.0	-77.11	402.91	-1.20	-78.31
CCCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024760807	0	51	0.0	-70.27	403.98	1.80	-68.47
C[NH+](C)C(C)(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760811	0	48	0.0	-72.46	371.94	0.89	-71.57
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024760845	0	49	0.0	-67.15	393.67	1.59	-65.56
C[N@H+]1CC=C(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024760877	0	50	0.0	-69.92	411.94	2.45	-67.47
C[N@@H+]1CC=C(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024760877	1	50	0.0	-69.92	411.94	2.45	-67.47
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300024760885	0	53	0.0	-68.79	418.02	2.86	-65.93
CN(C)CC1=CC=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024760924	0	49	0.0	-85.01	415.55	1.92	-83.09
C[NH+](C)CC1=CC=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024760924	1	49	0.0	-85.01	415.55	1.92	-83.09
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024760938	0	50	0.0	-79.71	412.80	2.38	-77.33
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024760957	0	53	0.0	-73.14	422.82	2.85	-70.29
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024760977	0	49	0.0	-73.15	402.30	1.87	-71.28
C[N@@H+]1CC2CC1(C(=O)N1CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024761019	0	47	0.0	-73.76	375.73	1.38	-72.38
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024761030	0	50	0.0	-68.38	398.51	2.00	-66.38
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024761030	1	50	0.0	-68.38	398.51	2.00	-66.38
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300024761067	0	51	0.0	-70.31	409.82	2.48	-67.83
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300024761077	0	48	0.0	-67.78	393.71	1.98	-65.80
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024761077	1	48	0.0	-67.84	393.46	1.97	-65.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024761077	1	48	0.0	-67.84	393.46	1.97	-65.87
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761119	0	48	0.0	-73.62	386.87	1.07	-72.55
C[N@@H+]1CCCCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761182	0	52	0.0	-74.35	411.79	2.29	-72.06
C[N@H+]1CCCCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761182	1	52	0.0	-65.97	405.78	2.20	-63.77
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024761196	0	49	0.0	-70.34	402.90	1.61	-68.73
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761199	1	46	0.0	-70.56	384.13	1.15	-69.41
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761199	1	46	0.0	-70.74	384.19	1.17	-69.57
C[NH+](C)CC(O)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761202	0	49	0.0	-77.45	405.41	-0.84	-78.29
CC1C[N@H+](C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024761226	1	50	0.0	-84.59	400.66	0.74	-83.85
CC1C[N@@H+](C)CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024761226	1	50	0.0	-72.50	400.13	0.94	-71.56
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300024761234	0	53	0.0	-76.58	428.62	-0.81	-77.39
CCC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761236	0	55	0.0	-68.84	425.68	2.76	-66.08
CCC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761236	1	55	0.0	-68.71	425.78	2.75	-65.96
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024761296	0	49	0.0	-73.58	403.59	1.83	-71.75
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761303	0	51	0.0	-74.73	414.23	1.89	-72.84
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024761321	0	53	0.0	-67.30	424.59	-0.47	-67.77
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024761321	1	53	0.0	-69.47	424.24	-0.62	-70.09
C#CC[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761326	1	51	0.0	-67.41	417.90	2.78	-64.63
C#CC[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761326	1	51	0.0	-69.05	406.77	2.37	-66.68
C[NH+]1CCN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024761329	1	51	0.0	-72.26	413.50	-0.40	-72.66
CC[NH+]1CCN(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024761337	0	54	0.0	-71.41	430.87	0.28	-71.13
C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761507	0	46	0.0	-70.79	373.05	0.71	-70.08
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761507	1	46	0.0	-72.82	374.04	0.72	-72.10
C[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024761533	1	47	0.0	-86.03	391.41	0.61	-85.42
C[N@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024761533	1	47	0.0	-81.17	384.34	0.45	-80.72
CC1=[NH+]C=CN1CCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761690	1	50	0.0	-71.61	424.15	3.07	-68.54
O=C(CC[NH+]1CCOCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761694	1	50	0.0	-79.17	409.38	0.15	-79.02
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024761714	0	50	0.0	-76.48	398.66	2.15	-74.33
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024761722	1	44	0.0	-80.84	384.55	3.65	-77.19
C[NH+](C)C1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024761770	0	55	0.0	-68.14	426.41	2.82	-65.32
C[N@@H+]1CCC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024761772	0	49	0.0	-77.22	400.53	1.78	-75.44
C[N@H+]1CCC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024761772	1	49	0.0	-77.13	400.42	1.77	-75.36
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761783	0	48	0.0	-83.70	404.86	0.94	-82.76
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024761788	0	48	0.0	-71.93	383.69	1.14	-70.79
C[NH+](C)CCCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761840	0	51	0.0	-77.55	419.51	2.29	-75.26
CC(C)C(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024761860	0	51	0.0	-69.83	397.50	1.66	-68.17
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761862	0	51	0.0	-77.21	415.71	2.10	-75.11
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761862	1	51	0.0	-77.31	415.71	2.10	-75.21
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761867	0	48	0.0	-75.04	393.38	1.55	-73.49
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761867	1	48	0.0	-74.94	393.34	1.55	-73.39
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024761887	0	50	0.0	-76.24	395.76	1.37	-74.87
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024761887	1	50	0.0	-75.53	395.61	1.39	-74.14
CCCCCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761910	0	57	0.0	-76.36	457.83	3.91	-72.45
CCCCCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024761910	1	57	0.0	-76.29	457.88	3.91	-72.38
CC[NH+](CC)C(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024761913	0	57	0.0	-67.56	431.28	3.65	-63.91
CC1CC[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024761942	0	52	0.0	-75.61	417.06	2.64	-72.97
C[NH+]1CCC(OCC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024761965	0	53	0.0	-81.61	434.09	2.23	-79.38
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024762004	0	53	0.0	-71.52	421.25	2.90	-68.62
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024762004	1	53	0.0	-77.03	421.62	2.84	-74.19
C[NH+](C)CC1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024762013	0	49	0.0	-77.56	404.65	1.92	-75.64
CC(C)[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024762023	0	55	0.0	-77.35	429.41	2.77	-74.58
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762039	0	48	0.0	-76.47	394.21	1.36	-75.11
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762039	1	48	0.0	-76.50	394.21	1.37	-75.13
CC(C)(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024762060	0	55	0.0	-75.69	423.51	3.10	-72.59
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024762068	0	50	0.0	-79.24	395.22	1.96	-77.28
C[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024762131	0	49	0.0	-80.16	398.68	1.82	-78.34
CC(C)[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024762149	0	51	0.0	-71.62	403.32	2.27	-69.35
CC[NH+](CC)CC(F)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762232	0	51	0.0	-76.85	413.41	1.88	-74.97
CC(C)C[N@@H+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024762260	0	55	0.0	-75.45	438.95	3.14	-72.31
CC(C)C[N@H+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024762260	1	55	0.0	-74.55	438.82	3.15	-71.40
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024762263	0	49	0.0	-69.06	386.67	1.76	-67.30
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024762293	0	54	0.0	-67.60	419.34	2.46	-65.14
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762310	0	49	0.0	-72.44	399.39	1.95	-70.49
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762310	1	49	0.0	-72.20	399.46	1.94	-70.26
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024762358	0	55	0.0	-70.50	420.44	2.74	-67.76
CC(C)[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762360	0	55	0.0	-66.62	426.30	2.66	-63.96
CC(C)[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762360	1	55	0.0	-68.31	427.35	2.64	-65.67
CC(C)[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762380	0	52	0.0	-73.65	407.03	2.40	-71.25
CC(C)[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762380	1	52	0.0	-71.74	403.59	2.16	-69.58
CC(C)[N@@H+]1CCCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762386	0	55	0.0	-66.70	425.69	2.26	-64.44
CC(C)[N@H+]1CCCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762386	1	55	0.0	-69.15	422.77	2.24	-66.91
CC(C)[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024762397	0	51	0.0	-73.97	398.47	1.66	-72.31
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024762415	0	49	0.0	-74.50	399.46	1.90	-72.60
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024762415	1	49	0.0	-73.98	399.36	1.85	-72.13
CC1(C)CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024762419	0	52	0.0	-72.77	418.30	2.40	-70.37
CC1(C)CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024762419	1	52	0.0	-74.25	419.17	2.41	-71.84
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024762420	0	54	0.0	-75.17	421.98	2.55	-72.62
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024762420	1	54	0.0	-74.60	424.25	2.72	-71.88
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024762428	0	48	0.0	-71.01	384.37	1.19	-69.82
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762598	1	44	0.0	-71.77	383.54	1.76	-70.01
CC(C[NH+]1CCOCC1)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762599	0	53	0.0	-75.75	424.48	0.88	-74.87
O=C(CCC[NH+]1CCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762614	0	55	0.0	-75.90	439.16	3.34	-72.56
C[NH+](C)CC1=CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024762626	1	48	0.0	-81.88	412.26	1.12	-80.76
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762655	1	50	0.0	-70.20	419.85	2.88	-67.32
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024762683	0	53	0.0	-68.04	418.59	3.02	-65.02
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024762683	1	53	0.0	-66.96	417.81	2.99	-63.97
CC[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024762697	1	50	0.0	-80.36	402.14	1.08	-79.28
CC[N@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024762697	1	50	0.0	-84.36	409.27	1.26	-83.10
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024762737	0	44	0.0	-75.87	384.28	3.65	-72.22
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762742	1	44	0.0	-73.62	382.81	2.46	-71.16
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024762751	0	49	0.0	-77.23	391.51	1.36	-75.87
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024762751	1	49	0.0	-78.30	396.93	1.41	-76.89
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024762755	0	52	0.0	-75.62	411.52	1.85	-73.77
CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024762755	1	52	0.0	-76.51	416.01	2.19	-74.32
CC1CCC(C)[NH+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762766	0	52	0.0	-71.46	411.26	2.17	-69.29
O=C(CCC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762772	0	52	0.0	-75.55	423.94	2.68	-72.87
C#CC[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024762777	0	51	0.0	-80.61	423.91	3.01	-77.60
O=C(CC[NH+]1CCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762778	0	52	0.0	-75.96	417.66	2.55	-73.41
CC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762783	0	52	0.0	-70.59	404.31	2.25	-68.34
CC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762783	1	52	0.0	-70.42	403.40	2.24	-68.18
C[NH+](C)C1(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024762816	0	55	0.0	-78.46	418.55	2.60	-75.86
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024762937	0	49	0.0	-72.85	400.25	2.13	-70.72
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024762937	1	49	0.0	-72.83	400.39	2.14	-70.69
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024762954	0	55	0.0	-68.19	423.75	2.29	-65.90
O=C(CCCC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024762966	0	55	0.0	-76.63	443.82	3.35	-73.28
C[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024762977	0	49	0.0	-80.16	398.68	1.82	-78.34
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763012	0	46	0.0	-75.23	374.05	0.72	-74.51
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763012	1	46	0.0	-70.70	379.43	1.21	-69.49
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763033	1	48	0.0	-71.97	400.79	1.91	-70.06
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763033	1	48	0.0	-72.49	406.47	2.38	-70.11
C[N@@H+]1CCCC1CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763038	0	52	0.0	-78.94	421.50	2.66	-76.28
C[N@H+]1CCCC1CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763038	1	52	0.0	-74.35	415.89	2.19	-72.16
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024763045	0	53	0.0	-73.66	410.58	2.35	-71.31
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024763048	0	53	0.0	-70.90	415.82	2.65	-68.25
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024763048	1	53	0.0	-70.86	415.66	2.65	-68.21
CCC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763110	0	55	0.0	-67.46	431.63	3.36	-64.10
CCC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763110	1	55	0.0	-74.21	437.86	3.17	-71.04
CC(C)[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763124	1	53	0.0	-73.81	418.98	1.59	-72.22
CC(C)[N@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763124	1	53	0.0	-73.57	418.78	1.62	-71.95
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763145	0	49	0.0	-72.22	395.93	1.77	-70.45
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763145	1	49	0.0	-72.25	395.96	1.78	-70.47
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763165	0	55	0.0	-73.65	432.98	2.82	-70.83
CC(C)C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763165	1	55	0.0	-71.71	439.01	3.31	-68.40
O=C(C[NH+]1CCC(CO)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763178	1	53	0.0	-78.21	427.91	-0.67	-78.88
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024763219	0	49	0.0	-74.73	400.49	1.57	-73.16
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024763219	1	49	0.0	-75.34	391.64	1.36	-73.98
C[N@@H+]1CCCCC1CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763221	0	55	0.0	-79.49	428.07	2.87	-76.62
C[N@H+]1CCCCC1CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763221	1	55	0.0	-77.64	427.16	2.89	-74.75
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763299	0	52	0.0	-72.72	397.74	1.70	-71.02
CC(C)(C)[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763299	1	52	0.0	-71.85	415.85	1.92	-69.93
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024763317	0	45	0.0	-72.66	372.28	0.55	-72.11
C=CCC(C)(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024763331	0	52	0.0	-77.64	406.85	3.02	-74.62
O=C(CC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763351	0	49	0.0	-76.76	400.82	1.76	-75.00
C[N@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763361	1	46	0.0	-75.31	382.23	-2.42	-77.73
C[N@@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763361	1	46	0.0	-75.65	381.94	-2.40	-78.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024763394	0	52	0.0	-86.67	400.97	-0.07	-86.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024763394	1	52	0.0	-82.77	402.26	-0.54	-83.31
C[N@H+]1CC=C(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024763440	0	50	0.0	-73.15	413.29	2.47	-70.68
C[N@@H+]1CC=C(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024763440	1	50	0.0	-70.68	412.29	2.47	-68.21
C[S+](C)CCC(O)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763454	0	48	0.0	-82.88	418.98	-0.19	-83.07
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763472	0	50	0.0	-79.19	403.25	-1.69	-80.88
C[N@H+]1CC(O)CC1(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763472	1	50	0.0	-82.09	400.31	-1.72	-83.81
CN1CC[N@H+](C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763482	0	54	0.0	-71.96	425.98	0.33	-71.63
CN1CC[N@@H+](C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763482	1	54	0.0	-71.70	423.07	0.31	-71.39
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024763483	0	53	0.0	-69.66	424.08	-0.97	-70.63
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300024763483	1	53	0.0	-72.31	423.10	-0.74	-73.05
C[N@@H+]1CCCC(O)(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763511	0	53	0.0	-74.14	421.55	0.59	-73.55
C[N@H+]1CCCC(O)(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763511	1	53	0.0	-70.93	424.36	0.52	-70.41
CC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763515	1	46	0.0	-73.46	384.43	1.25	-72.21
CC[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763521	0	52	0.0	-68.31	410.08	2.62	-65.69
CC[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763521	1	52	0.0	-73.77	416.23	2.45	-71.32
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024763537	0	50	0.0	-75.15	406.09	2.25	-72.90
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024763537	1	50	0.0	-72.09	401.79	1.92	-70.17
O=C(C=CC[NH+]1CCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763572	0	50	0.0	-77.54	415.40	2.49	-75.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024763590	0	53	0.0	-76.31	427.95	3.22	-73.09
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763628	0	45	0.0	-74.60	371.84	0.81	-73.79
O=C(CN1CC2C=CC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763673	0	48	0.0	-71.51	392.96	2.01	-69.50
O=C(C[N@@H+]1CC2C=CC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763673	1	48	0.0	-73.08	393.75	2.15	-70.93
O=C(C[N@H+]1CC2C=CC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763673	1	48	0.0	-73.08	393.75	2.15	-70.93
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024763779	0	53	0.0	-69.60	409.57	2.66	-66.94
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024763779	1	53	0.0	-69.60	409.57	2.66	-66.94
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024763785	0	51	0.0	-78.39	400.19	3.03	-75.36
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024763785	1	51	0.0	-78.39	400.19	3.03	-75.36
CC(OCC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763794	0	52	0.0	-72.92	428.83	1.91	-71.01
C[NH+](C)CCOCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763802	0	52	0.0	-75.92	430.97	0.94	-74.98
COCCN(C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763804	0	49	0.0	-75.62	404.23	-0.02	-75.64
COCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763804	1	49	0.0	-75.56	404.49	-0.02	-75.58
COCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763804	1	49	0.0	-75.56	404.49	-0.02	-75.58
CC(CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024763809	0	51	0.0	-74.86	411.42	1.88	-72.98
CC[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024763831	0	49	0.0	-71.27	403.52	2.21	-69.06
CC1C[N@@H+]2CCN1C(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024763846	0	52	0.0	-84.04	406.97	-0.79	-84.83
C[N@@H+]1CC2CC1(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024763868	0	47	0.0	-78.25	384.28	1.50	-76.75
O=C(C[N@@H+]1CC2CCC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763881	0	50	0.0	-73.09	400.90	2.28	-70.81
O=C(C[N@H+]1CC2CCC1C2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763881	1	50	0.0	-73.09	400.90	2.28	-70.81
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763900	0	48	0.0	-75.82	392.54	1.41	-74.41
CCN1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763944	0	46	0.0	-72.19	378.52	0.82	-71.37
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763944	1	46	0.0	-72.18	378.56	0.82	-71.36
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763944	1	46	0.0	-72.18	378.56	0.82	-71.36
CC(C)[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763954	0	55	0.0	-67.90	426.76	3.14	-64.76
CC(C)[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024763954	1	55	0.0	-67.90	426.76	3.14	-64.76
CCC(C)(C)[NH2+]C(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024763966	0	54	0.0	-73.89	419.47	0.73	-73.16
C#CCN1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764005	0	51	0.0	-72.90	411.97	2.76	-70.14
C#CC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764005	1	51	0.0	-72.85	411.89	2.79	-70.06
C#CC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764005	1	51	0.0	-72.85	411.89	2.79	-70.06
CCCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024764016	0	51	0.0	-73.00	405.20	1.91	-71.09
C[NH+](C)C(C)(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764023	0	48	0.0	-79.45	381.31	1.32	-78.13
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764041	0	51	0.0	-74.35	413.21	2.05	-72.30
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024764098	0	51	0.0	-75.75	407.97	3.18	-72.57
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764127	0	52	0.0	-73.54	413.47	1.76	-71.78
C[NH+](C)CCCCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764130	0	54	0.0	-76.82	441.00	3.07	-73.75
O=C(CC[NH+]1CCC(O)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764134	0	53	0.0	-79.79	428.75	-0.80	-80.59
CCC[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764138	0	55	0.0	-71.27	425.83	2.99	-68.28
CCC[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764138	1	55	0.0	-71.27	425.83	2.99	-68.28
CN1CCN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024764147	0	51	0.0	-73.99	413.13	-0.35	-74.34
C[NH+]1CCN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024764147	1	51	0.0	-73.99	413.13	-0.35	-74.34
CC1C[N@H+](C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024764229	1	50	0.0	-87.46	405.95	1.32	-86.14
CC1C[N@@H+](C)CC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024764229	1	50	0.0	-86.86	412.69	1.32	-85.54
CCC1CCC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024764258	0	55	0.0	-73.02	427.52	2.83	-70.19
CCC1CCC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024764258	1	55	0.0	-75.59	428.00	3.25	-72.34
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024764266	0	50	0.0	-83.61	419.74	1.58	-82.03
O=C(C[NH+]1CC2CC2C1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764279	0	47	0.0	-75.22	389.44	2.03	-73.19
O=C(CC1([NH+]2CCCC2)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764290	0	53	0.0	-72.65	418.10	2.81	-69.84
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764323	0	49	0.0	-72.22	395.93	1.77	-70.45
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764323	1	49	0.0	-72.25	395.96	1.78	-70.47
C[N@@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024764422	0	47	0.0	-76.78	391.93	1.70	-75.08
C[N@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024764422	1	47	0.0	-77.73	392.82	1.71	-76.02
O=C(CNC1=CC=[NH+]C=C1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764427	0	45	0.0	-75.17	389.83	-0.59	-75.76
[N-]=[N+]=NCC(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024764471	0	36	0.0	-26.54	331.08	-4.26	-30.80
CC[NH+]1CCN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024764478	0	54	0.0	-72.88	430.87	0.33	-72.55
O=C(C=C1C[NH+]2CCC1CC2)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764481	0	51	0.0	-69.46	409.66	2.58	-66.88
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024764514	0	52	0.0	-68.67	402.33	2.33	-66.34
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024764522	0	53	0.0	-70.22	424.59	-0.46	-70.68
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024764522	1	53	0.0	-72.31	424.15	-0.65	-72.96
CCC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024764525	1	49	0.0	-75.93	406.81	2.00	-73.93
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024764528	0	53	0.0	-67.62	415.33	2.87	-64.75
C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764540	0	46	0.0	-71.86	379.91	1.17	-70.69
C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764540	1	46	0.0	-72.84	374.04	0.71	-72.13
CC[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764562	0	53	0.0	-79.25	422.15	0.63	-78.62
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024764666	0	49	0.0	-74.35	403.68	1.88	-72.47
C[NH+](C)C1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024764677	0	55	0.0	-80.45	432.93	2.99	-77.46
C[NH+](C)CCC1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024764678	0	52	0.0	-72.47	427.47	2.72	-69.75
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024764679	0	55	0.0	-73.12	426.28	2.86	-70.26
C[N@@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764680	0	50	0.0	-69.39	400.29	2.14	-67.25
C[N@H+]1CC=CCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764680	1	50	0.0	-69.39	400.29	2.14	-67.25
C[NH+](C)CCOCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764732	0	49	0.0	-75.41	409.98	1.20	-74.21
CCCCC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764737	0	57	0.0	-78.30	458.70	3.66	-74.64
CCCCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764737	1	57	0.0	-78.30	458.70	3.66	-74.64
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024764748	0	53	0.0	-75.88	432.83	2.11	-73.77
[NH2+]=C1SC=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764771	0	42	0.0	-71.62	381.18	0.33	-71.29
C[C@@H](OCC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764836	0	52	0.0	-72.93	428.84	1.91	-71.02
O=C(CC[NH+]1CCCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764867	0	55	0.0	-77.79	428.13	2.77	-75.02
O=C(C[NH+]1CCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764870	0	49	0.0	-74.77	395.84	2.01	-72.76
C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024764872	0	49	0.0	-68.64	392.33	1.99	-66.65
C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024764872	1	49	0.0	-74.27	397.76	1.78	-72.49
O=C(C[NH+]1CCC(CO)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764873	1	53	0.0	-78.21	427.91	-0.67	-78.88
O=C(C[NH+]1CCCCCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764874	0	52	0.0	-74.55	405.08	2.19	-72.36
CN1C=C[N+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024764879	0	44	0.0	-72.09	385.34	3.66	-68.43
C[NH+](C)CC1=CC=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024764894	1	49	0.0	-83.43	418.64	1.95	-81.48
O=C(C[NH+]1CCC(O)CC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764909	1	50	0.0	-80.08	407.31	-1.32	-81.40
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024764913	1	46	0.0	-71.75	383.38	1.55	-70.20
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024764915	1	54	0.0	-73.37	426.45	-0.01	-73.38
O=C(CC[N@@H+]1CCC(F)C1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764917	1	49	0.0	-81.00	408.23	1.98	-79.02
COC1C[N@@H+](C)C(C)(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024764926	1	53	0.0	-79.29	423.70	0.81	-78.48
CCOCC(N=[N+]=[N-])C(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024764934	0	46	0.0	-24.75	406.35	-3.56	-28.31
CC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024764942	0	51	0.0	-76.38	411.29	2.15	-74.23
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024764954	0	51	0.0	-80.15	413.59	0.44	-79.71
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024764954	1	51	0.0	-78.59	413.07	0.42	-78.17
CN1CCOCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764971	0	50	0.0	-81.43	404.73	-0.04	-81.47
C[N@@H+]1CCOCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764971	1	50	0.0	-72.22	397.10	-0.16	-72.38
C[N@H+]1CCOCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024764971	1	50	0.0	-81.43	404.73	-0.04	-81.47
CC[NH+]1CCN(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024764979	0	54	0.0	-72.88	430.87	0.33	-72.55
CC1(O)CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024765068	1	50	0.0	-73.96	410.07	-1.44	-75.40
C[NH+]1CC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024765100	0	46	0.0	-76.14	385.55	0.97	-75.17
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024765104	1	53	0.0	-73.94	419.40	2.59	-71.35
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765112	0	42	0.0	-75.17	354.14	0.14	-75.03
C[N@H+](CCO)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765138	0	49	0.0	-76.56	404.56	-1.86	-78.42
C[N@@H+](CCO)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765138	1	49	0.0	-75.58	404.51	-1.87	-77.45
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024765139	0	45	0.0	-72.66	372.28	0.55	-72.11
C[N@@H+]1CCCCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765156	0	52	0.0	-66.52	405.85	2.20	-64.32
C[N@H+]1CCCCC1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765156	1	52	0.0	-77.38	413.23	2.36	-75.02
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024765173	1	49	0.0	-73.08	402.11	1.88	-71.20
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765177	1	46	0.0	-72.73	379.78	0.99	-71.74
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765177	1	46	0.0	-73.59	385.42	1.26	-72.33
C[NH+](C)CC=CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765188	0	46	0.0	-79.60	391.37	1.40	-78.20
CC1=C(C)[NH+]=C(CCC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024765214	1	50	0.0	-70.51	424.35	1.43	-69.08
C[NH+](C)CCSCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765231	0	49	0.0	-81.11	421.00	2.07	-79.04
O=C(C[N@H+]1CCCC1CO)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765254	0	50	0.0	-74.14	403.68	-1.76	-75.90
O=C(C[N@@H+]1CCCC1CO)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765254	1	50	0.0	-74.10	403.69	-1.80	-75.90
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765258	0	48	0.0	-73.39	385.73	1.23	-72.16
O=C(C[NH+]1CCC1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765269	1	43	0.0	-73.49	363.49	0.64	-72.85
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765309	0	51	0.0	-75.92	407.74	1.79	-74.13
C[NH+](C)CC1=CNC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024765366	0	50	0.0	-78.83	419.58	1.48	-77.35
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024765383	0	53	0.0	-75.39	425.00	-0.95	-76.34
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024765387	0	51	0.0	-75.00	411.83	0.48	-74.52
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024765387	1	51	0.0	-73.53	412.51	0.51	-73.02
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024765398	1	46	0.0	-72.43	381.87	1.18	-71.25
CCC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024765403	0	54	0.0	-69.93	429.34	2.76	-67.17
C[NH+](C)CC(C)(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765411	0	51	0.0	-74.83	403.28	1.99	-72.84
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765463	0	49	0.0	-71.78	386.71	1.60	-70.18
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765463	1	49	0.0	-70.36	395.93	1.78	-68.58
CC1CN2CC[N@@H+]1CC2C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765477	0	52	0.0	-79.12	406.92	-0.86	-79.98
CC1CN2CC[N@H+]1CC2C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765477	1	52	0.0	-80.92	406.82	-0.85	-81.77
C[NH+](C)CC(O)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765497	0	49	0.0	-80.24	406.81	-0.86	-81.10
C[NH+]1C2CCC1CC(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024765499	0	53	0.0	-76.88	414.13	2.37	-74.51
C=CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024765529	0	49	0.0	-72.08	396.88	1.67	-70.41
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024765536	0	53	0.0	-71.52	421.25	2.90	-68.62
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024765536	1	53	0.0	-77.03	421.62	2.84	-74.19
C[NH+]1CCC(C)(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024765547	0	52	0.0	-69.11	410.31	2.25	-66.86
C[NH+]1CCC(O)(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024765549	0	53	0.0	-73.20	421.74	0.54	-72.66
NC(=[NH2+])SCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765573	0	40	0.0	-78.53	361.09	-2.89	-81.42
CC[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765600	0	53	0.0	-73.98	416.81	0.44	-73.54
C[NH+](C)C1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024765613	0	55	0.0	-68.21	421.21	2.51	-65.70
C[NH+](C)CCC1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024765614	0	52	0.0	-72.56	425.99	2.53	-70.03
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024765615	0	55	0.0	-68.13	421.13	2.56	-65.57
C[N@@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765616	0	50	0.0	-74.75	405.34	2.18	-72.57
C[N@H+]1CC=CCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765616	1	50	0.0	-74.75	405.34	2.18	-72.57
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765637	0	52	0.0	-70.84	425.30	1.72	-69.12
C[NH+]1C2CCC1CC(C(=O)N1CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024765661	0	53	0.0	-70.95	387.76	1.93	-69.02
CCC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024765753	0	49	0.0	-72.50	406.56	1.91	-70.59
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024765755	0	53	0.0	-70.66	407.85	2.41	-68.25
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765762	0	46	0.0	-68.04	375.49	0.86	-67.18
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765762	1	46	0.0	-70.19	371.49	0.58	-69.61
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300024765769	1	49	0.0	-77.83	406.95	1.86	-75.97
COC1C[N@@H+](C)C(C)(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024765777	1	53	0.0	-74.63	413.97	0.21	-74.42
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300024765784	0	55	0.0	-74.88	427.99	2.77	-72.11
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024765786	0	49	0.0	-71.08	395.70	1.98	-69.10
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024765795	0	49	0.0	-73.41	394.65	1.62	-71.79
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024765795	1	49	0.0	-73.26	394.47	1.65	-71.61
C[N@@H+]1CCCCC1CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765797	0	55	0.0	-75.11	426.85	2.85	-72.26
C[N@H+]1CCCCC1CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765797	1	55	0.0	-74.51	428.08	2.85	-71.66
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024765819	0	51	0.0	-76.23	411.04	0.34	-75.89
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024765819	1	51	0.0	-68.55	405.90	0.29	-68.26
CN1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765836	0	50	0.0	-68.86	395.99	-0.21	-69.07
C[N@@H+]1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765836	1	50	0.0	-69.07	397.24	-0.21	-69.28
C[N@H+]1CCOCC1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765836	1	50	0.0	-68.86	395.99	-0.21	-69.07
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024765843	1	50	0.0	-67.57	423.99	1.45	-66.12
CCOCC(N=[N+]=[N-])C(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024765847	0	46	0.0	-23.30	403.40	-3.72	-27.02
C[NH+](C)CCSCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024765917	0	49	0.0	-82.50	420.06	2.10	-80.40
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024765923	0	51	0.0	-73.90	409.27	0.27	-73.63
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024765923	1	51	0.0	-73.94	408.49	0.26	-73.68
C[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766085	0	49	0.0	-72.21	393.99	1.15	-71.06
C[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766085	1	49	0.0	-70.26	397.36	1.59	-68.67
CN1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024766109	0	50	0.0	-74.43	400.47	0.80	-73.63
C[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024766109	1	50	0.0	-81.97	407.97	0.99	-80.98
C[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024766109	1	50	0.0	-74.43	400.47	0.80	-73.63
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766253	0	55	0.0	-70.54	425.10	2.91	-67.63
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766253	1	55	0.0	-70.46	425.94	3.08	-67.38
CC1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766276	1	47	0.0	-70.18	403.77	2.25	-67.93
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024766296	0	53	0.0	-80.18	412.18	2.25	-77.93
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024766324	0	52	0.0	-77.99	411.10	1.61	-76.38
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024766324	1	52	0.0	-76.62	417.16	1.88	-74.74
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024766326	0	55	0.0	-75.45	427.93	2.19	-73.26
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024766326	1	55	0.0	-72.77	431.21	2.72	-70.05
CC[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024766331	1	53	0.0	-80.08	425.62	1.65	-78.43
CC[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024766331	1	53	0.0	-82.48	425.39	1.62	-80.86
CC1CCC(C)[NH+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766376	0	55	0.0	-69.08	432.33	2.74	-66.34
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024766378	0	55	0.0	-74.58	443.61	3.12	-71.46
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024766381	0	55	0.0	-74.56	439.32	3.17	-71.39
CC[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766384	0	55	0.0	-71.42	425.59	2.58	-68.84
CC[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766384	1	55	0.0	-68.65	433.44	2.93	-65.72
C[NH+](C)C1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024766394	0	52	0.0	-73.86	402.06	1.69	-72.17
CC(C)[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024766400	0	54	0.0	-69.58	419.30	2.21	-67.37
C[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024766418	0	52	0.0	-70.74	421.60	2.66	-68.08
C[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024766418	1	52	0.0	-71.04	421.35	2.71	-68.33
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766472	1	51	0.0	-70.27	420.60	2.43	-67.84
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766472	1	51	0.0	-70.48	423.17	2.84	-67.64
C[N@@H+]1CCCC1CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766477	0	55	0.0	-76.87	442.77	3.23	-73.64
C[N@H+]1CCCC1CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766477	1	55	0.0	-73.39	437.23	2.77	-70.62
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024766493	0	52	0.0	-78.13	418.82	2.26	-75.87
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766520	0	52	0.0	-72.37	407.65	1.92	-70.45
C[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766520	1	52	0.0	-69.30	414.73	2.16	-67.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024766573	1	53	0.0	-77.94	430.59	0.74	-77.20
CC1=C[NH+]=CN1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766585	1	47	0.0	-72.61	404.08	2.97	-69.64
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024766601	0	53	0.0	-68.33	411.35	2.05	-66.28
C[N@@H+]1CCC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024766606	0	52	0.0	-76.64	421.90	2.28	-74.36
C[N@H+]1CCC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024766606	1	52	0.0	-76.44	421.68	2.29	-74.15
CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024766612	0	51	0.0	-71.94	405.73	1.77	-70.17
C[NH+](C)CCCCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766659	0	54	0.0	-76.69	440.68	2.88	-73.81
CC(C)C(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024766670	0	54	0.0	-70.47	415.67	2.10	-68.37
CCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766671	0	54	0.0	-75.98	436.91	2.68	-73.30
CCC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766671	1	54	0.0	-75.97	436.91	2.70	-73.27
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766674	0	51	0.0	-72.96	414.45	2.14	-70.82
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766674	1	51	0.0	-73.01	414.64	2.07	-70.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024766687	0	53	0.0	-75.84	407.80	1.54	-74.30
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024766687	1	53	0.0	-75.71	407.92	1.50	-74.21
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766709	0	49	0.0	-72.25	394.00	1.15	-71.10
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766709	1	49	0.0	-70.31	397.60	1.52	-68.79
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766736	0	51	0.0	-71.17	406.91	1.79	-69.38
CC1CC[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024766789	0	55	0.0	-73.22	437.76	3.21	-70.01
C[NH+](C)CC1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024766807	0	52	0.0	-73.99	421.92	2.18	-71.81
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024766853	0	52	0.0	-78.13	418.82	2.26	-75.87
CC(C)[C@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024766868	0	54	0.0	-71.71	419.07	2.20	-69.51
CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024766895	0	57	0.0	-66.46	436.53	2.83	-63.63
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766925	0	51	0.0	-75.20	415.41	1.94	-73.26
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766925	1	51	0.0	-75.18	415.41	1.95	-73.23
CC1CCC[N@@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766948	0	52	0.0	-69.70	421.35	2.37	-67.33
CC1CCC[N@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024766948	1	52	0.0	-70.12	420.70	2.46	-67.66
CC1CC[N@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024766949	0	52	0.0	-72.00	420.65	2.39	-69.61
CC1CC[N@@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024766949	1	52	0.0	-72.26	420.57	2.48	-69.78
CC1(C)CC[N@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024766951	0	55	0.0	-72.43	440.72	2.99	-69.44
CC1(C)CC[N@@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024766951	1	55	0.0	-72.00	440.28	2.90	-69.10
C[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024766952	0	57	0.0	-72.89	443.06	3.14	-69.75
C[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024766952	1	57	0.0	-72.71	445.18	3.22	-69.49
CC[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024766959	0	51	0.0	-71.35	404.73	1.73	-69.62
C[NH+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767031	0	45	0.0	-73.45	375.32	0.72	-72.73
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024767034	0	55	0.0	-72.90	428.58	3.07	-69.83
CN1C=C[N+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024767037	0	47	0.0	-71.08	406.46	4.25	-66.83
C[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767041	0	52	0.0	-75.62	419.80	2.18	-73.44
C[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767041	1	52	0.0	-66.85	408.89	2.34	-64.51
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024767046	0	53	0.0	-67.56	427.10	2.94	-64.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024767046	1	53	0.0	-70.14	424.25	2.52	-67.62
CC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024767058	0	49	0.0	-70.84	392.78	1.26	-69.58
CCC(CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024767062	0	57	0.0	-68.77	450.56	3.35	-65.42
C[NH+](C)CC(C)(C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767067	0	54	0.0	-75.22	413.74	2.03	-73.19
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024767078	0	53	0.0	-77.59	428.47	-0.76	-78.35
C[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024767079	0	49	0.0	-69.96	404.58	2.12	-67.84
C[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024767079	1	49	0.0	-70.55	404.77	2.09	-68.46
C[NH+]1CC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767093	0	49	0.0	-75.15	406.49	1.43	-73.72
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767103	0	55	0.0	-70.50	414.75	1.78	-68.72
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767103	1	55	0.0	-69.59	436.70	2.45	-67.14
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024767113	0	48	0.0	-71.65	390.23	1.02	-70.63
[N-]=[N+]=NCC(=O)N1CCC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024767120	0	39	0.0	-25.12	352.13	-3.68	-28.80
[NH2+]=C1SC=CN1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767162	0	45	0.0	-69.34	402.46	0.84	-68.50
C[N@H+](CCO)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767167	0	52	0.0	-74.88	425.77	-1.27	-76.15
C[N@@H+](CCO)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767167	1	52	0.0	-74.60	425.59	-1.25	-75.85
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024767168	0	48	0.0	-71.65	390.23	1.02	-70.63
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767171	0	52	0.0	-73.27	407.56	1.98	-71.29
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767171	1	52	0.0	-69.89	414.72	2.22	-67.67
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024767216	1	46	0.0	-73.26	385.47	1.22	-72.04
C[N@@H+]1CCC(=CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767230	0	50	0.0	-77.55	413.48	2.19	-75.36
C[N@H+]1CCC(=CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767230	1	50	0.0	-77.46	413.30	2.27	-75.19
C[NH+](C)CCOCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767250	0	52	0.0	-73.83	431.18	1.82	-72.01
C=CCC(C)(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024767261	0	55	0.0	-73.47	415.43	2.37	-71.10
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767278	0	53	0.0	-71.56	414.54	-2.00	-73.56
CC1CN(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767295	0	49	0.0	-73.25	406.66	1.77	-71.48
CC1C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767295	1	49	0.0	-73.25	406.66	1.77	-71.48
CN(CCO)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767312	0	49	0.0	-73.60	403.49	-1.90	-75.50
C[N@H+](CCO)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767312	1	49	0.0	-73.33	403.07	-1.83	-75.16
C[N@@H+](CCO)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767312	1	49	0.0	-73.33	403.07	-1.83	-75.16
CC[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767331	0	55	0.0	-73.51	436.61	2.82	-70.69
CC[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767331	1	55	0.0	-73.51	436.61	2.82	-70.69
CC(CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024767333	0	54	0.0	-75.69	432.50	2.74	-72.95
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767336	0	48	0.0	-72.68	393.13	1.33	-71.35
CC[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024767360	0	52	0.0	-69.93	421.37	2.72	-67.21
CC[NH+](CC)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767368	0	54	0.0	-74.61	428.97	2.34	-72.27
CC1(C)CN(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767382	0	52	0.0	-73.14	425.55	2.30	-70.84
CC1(C)C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767382	1	52	0.0	-73.14	425.55	2.30	-70.84
CC1(O)CC[N@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767398	0	53	0.0	-73.46	431.75	-0.85	-74.31
C[NH+](C)CC=CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767401	0	49	0.0	-78.87	411.80	1.93	-76.94
COCCN(C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767414	0	52	0.0	-73.05	425.32	0.57	-72.48
COCC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767414	1	52	0.0	-73.79	425.74	0.50	-73.29
COCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767414	1	52	0.0	-73.79	425.74	0.50	-73.29
C[NH+](C)C1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024767431	0	55	0.0	-69.21	409.15	1.83	-67.38
CC(CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024767433	0	54	0.0	-77.85	428.80	2.43	-75.42
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767439	0	49	0.0	-70.67	398.60	1.26	-69.41
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024767449	0	53	0.0	-72.02	425.02	-1.26	-73.28
C[NH+]1CCC(C)(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024767465	0	55	0.0	-73.04	422.05	2.24	-70.80
C=CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024767481	0	52	0.0	-69.42	416.29	2.06	-67.36
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767488	0	55	0.0	-70.79	434.23	2.27	-68.52
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767488	1	55	0.0	-70.79	434.23	2.27	-68.52
C[NH+](C)CCCCCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767490	0	57	0.0	-76.00	462.18	3.66	-72.34
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024767495	0	50	0.0	-72.85	410.87	2.54	-70.31
CCCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024767507	0	54	0.0	-72.37	425.63	2.43	-69.94
C[NH+](C)C(C)(C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767510	0	51	0.0	-74.27	394.19	1.39	-72.88
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767533	0	52	0.0	-69.30	414.73	2.16	-67.14
C[N@H+]1CC=C(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024767552	0	53	0.0	-71.43	434.50	3.02	-68.41
C[N@@H+]1CC=C(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024767552	1	53	0.0	-71.43	434.50	3.02	-68.41
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024767582	0	53	0.0	-77.51	435.00	2.98	-74.53
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024767609	0	52	0.0	-74.69	423.70	2.42	-72.27
C[N@@H+]1CC2CC1(C(=O)N1CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024767634	0	50	0.0	-75.31	396.99	1.99	-73.32
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024767639	0	53	0.0	-70.01	419.31	2.64	-67.37
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024767639	1	53	0.0	-70.01	419.31	2.64	-67.37
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300024767674	0	51	0.0	-69.11	414.95	2.55	-66.56
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024767674	1	51	0.0	-69.28	414.67	2.59	-66.69
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024767674	1	51	0.0	-69.28	414.67	2.59	-66.69
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767704	0	51	0.0	-76.14	414.29	1.85	-74.29
C[N@@H+]1CCCCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767743	0	55	0.0	-66.27	427.06	2.79	-63.48
C[N@H+]1CCCCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767743	1	55	0.0	-66.27	427.06	2.79	-63.48
CC1CC[N@@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767754	0	49	0.0	-71.74	406.53	1.82	-69.92
C[NH+](C)CC(O)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767756	0	52	0.0	-79.00	428.02	-0.25	-79.25
CC1CN(C)CC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024767773	0	53	0.0	-83.72	422.21	1.66	-82.06
CC1C[N@H+](C)CC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024767773	1	53	0.0	-84.54	429.25	1.75	-82.79
CC1C[N@@H+](C)CC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024767773	1	53	0.0	-84.54	429.25	1.75	-82.79
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024767811	0	52	0.0	-74.57	424.83	2.41	-72.16
CC(CC[NH+](C)C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024767815	0	54	0.0	-76.50	435.95	2.46	-74.04
CN1CCN(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024767830	0	54	0.0	-74.21	434.19	0.23	-73.98
C[NH+]1CCN(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024767830	1	54	0.0	-74.21	434.19	0.23	-73.98
C[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768000	0	49	0.0	-67.27	401.79	1.76	-65.51
CN1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024768026	0	50	0.0	-77.94	412.71	1.20	-76.74
C[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024768026	1	50	0.0	-70.86	405.44	1.06	-69.80
C[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024768026	1	50	0.0	-70.86	405.44	1.06	-69.80
O=C(CC[NH+]1CCOCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768174	1	53	0.0	-74.54	430.58	0.76	-73.78
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C23CCC[NH+]2CCC3)C1	REAL300024768182	0	53	0.0	-69.84	419.76	2.76	-67.08
C[N@@H+]1CCC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024768205	0	52	0.0	-73.41	421.69	2.37	-71.04
C[N@H+]1CCC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024768205	1	52	0.0	-72.68	421.62	2.37	-70.31
CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024768211	0	51	0.0	-68.34	405.97	1.75	-66.59
C[NH+](C)CCCCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768243	0	54	0.0	-73.46	440.67	2.90	-70.56
CC(C)C(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024768256	0	54	0.0	-68.07	424.93	2.81	-65.26
CCC[N@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768257	0	54	0.0	-72.59	436.90	2.71	-69.88
CCC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768257	1	54	0.0	-72.51	436.90	2.70	-69.81
CCC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768260	0	51	0.0	-70.58	414.54	2.17	-68.41
CCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768260	1	51	0.0	-70.56	414.53	2.16	-68.40
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024768273	0	53	0.0	-71.23	417.69	1.94	-69.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024768273	1	53	0.0	-75.58	416.02	2.11	-73.47
CC1CC[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024768298	0	55	0.0	-70.68	438.26	3.25	-67.43
C[NH+](C)CC1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024768335	0	52	0.0	-73.88	426.00	2.42	-71.46
CC[N@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768352	0	51	0.0	-71.86	415.40	1.97	-69.89
CC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768352	1	51	0.0	-71.77	415.40	1.96	-69.81
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024768364	0	53	0.0	-72.49	416.57	2.59	-69.90
C[NH+]1CCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024768402	0	52	0.0	-74.34	419.89	2.41	-71.93
CC(C)[C@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024768417	0	54	0.0	-68.61	418.91	2.29	-66.32
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024768480	0	52	0.0	-70.34	409.38	1.94	-68.40
CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024768507	0	57	0.0	-64.56	441.48	3.05	-61.51
CC1CCC[N@@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768516	0	52	0.0	-67.10	413.84	2.15	-64.95
CC1CCC[N@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768516	1	52	0.0	-67.76	420.46	2.53	-65.23
CC(C)[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768543	0	55	0.0	-65.54	434.06	2.90	-62.64
CC(C)[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768543	1	55	0.0	-66.03	434.28	2.84	-63.19
CC(C)[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024768550	0	54	0.0	-67.35	419.53	2.30	-65.05
CC1CC[N@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024768560	0	52	0.0	-69.71	420.58	2.50	-67.21
CC1CC[N@@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024768560	1	52	0.0	-69.92	420.73	2.47	-67.45
CC1(C)CC[N@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024768562	0	55	0.0	-69.56	440.39	3.02	-66.54
CC1(C)CC[N@@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024768562	1	55	0.0	-69.67	440.72	3.03	-66.64
C[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024768563	0	57	0.0	-70.47	443.14	3.16	-67.31
C[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024768563	1	57	0.0	-70.02	445.08	3.31	-66.71
CC[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024768570	0	51	0.0	-67.45	405.55	1.77	-65.68
CC1=[NH+]C=CN1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768650	1	47	0.0	-67.44	404.74	2.37	-65.07
CC[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024768693	1	53	0.0	-73.82	423.19	1.70	-72.12
CC[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024768693	1	53	0.0	-74.02	423.37	1.68	-72.34
CC1=C[NH+]=CN1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768713	1	47	0.0	-69.89	404.02	3.05	-66.84
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024768718	0	52	0.0	-70.89	412.86	1.95	-68.94
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024768718	1	52	0.0	-70.16	417.43	2.22	-67.94
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024768720	0	55	0.0	-70.94	431.89	2.44	-68.50
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024768720	1	55	0.0	-71.27	437.34	2.79	-68.48
CC1CCC(C)[NH+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768725	0	55	0.0	-66.72	433.24	2.82	-63.90
O=C(CCC[NH+]1CCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768727	0	55	0.0	-71.54	443.52	3.18	-68.36
O=C(CC[NH+]1CCCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768731	0	55	0.0	-71.37	438.86	3.16	-68.21
CC[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768734	0	55	0.0	-66.60	434.93	3.02	-63.58
CC[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768734	1	55	0.0	-67.35	425.73	2.81	-64.54
C[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024768814	0	52	0.0	-68.61	421.52	2.74	-65.87
C[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024768814	1	52	0.0	-68.60	421.43	2.73	-65.87
C[NH+]1CCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024768838	0	52	0.0	-74.34	419.89	2.41	-71.93
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768860	0	49	0.0	-68.50	395.15	1.33	-67.17
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768860	1	49	0.0	-67.31	400.20	1.85	-65.46
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768877	1	51	0.0	-68.33	421.80	2.55	-65.78
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768877	1	51	0.0	-68.58	426.52	3.05	-65.53
C[N@@H+]1CCCC1CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768882	0	55	0.0	-72.20	442.74	3.22	-68.98
C[N@H+]1CCCC1CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768882	1	55	0.0	-70.65	437.31	2.75	-67.90
C[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768945	0	52	0.0	-66.90	417.34	2.31	-64.59
C[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024768945	1	52	0.0	-67.76	407.82	2.20	-65.56
CC1C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024768994	0	52	0.0	-69.94	416.48	1.99	-67.95
CC1C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024768994	1	52	0.0	-69.91	416.34	1.97	-67.94
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769044	0	55	0.0	-66.59	436.75	2.46	-64.13
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769044	1	55	0.0	-67.20	420.97	1.91	-65.29
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024769057	0	48	0.0	-68.56	393.20	1.17	-67.39
C=CCC(C)(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024769069	0	55	0.0	-70.05	427.06	2.57	-67.48
O=C(CC[NH+]1CCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769081	0	52	0.0	-71.31	423.63	2.48	-68.83
C[N@H+](CCO)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769089	1	49	0.0	-70.75	403.39	-1.82	-72.57
C[N@@H+](CCO)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769089	1	49	0.0	-70.81	403.17	-1.82	-72.63
C[N@H+]1CC=C(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024769135	0	53	0.0	-71.12	434.29	3.11	-68.01
C[N@@H+]1CC=C(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024769135	1	53	0.0	-69.80	434.30	3.10	-66.70
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769153	0	53	0.0	-71.22	424.48	-1.08	-72.30
C[N@H+]1CC(O)CC1(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769153	1	53	0.0	-75.05	423.50	-1.17	-76.22
CC1C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024769179	1	49	0.0	-70.68	406.69	1.80	-68.88
CC[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024769185	0	55	0.0	-64.81	431.37	3.21	-61.60
CC[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024769185	1	55	0.0	-65.44	431.28	3.23	-62.21
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024769196	0	53	0.0	-65.36	432.59	3.30	-62.06
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024769196	1	53	0.0	-66.87	425.60	2.63	-64.24
O=C(C=CC[NH+]1CCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769217	0	53	0.0	-73.86	437.61	3.16	-70.70
CC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769254	0	48	0.0	-70.07	393.04	1.43	-68.64
O=C(CN1CC2C=CC1C2)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769283	0	51	0.0	-68.68	414.47	2.68	-66.00
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769283	1	51	0.0	-66.97	414.39	2.63	-64.34
O=C(C[N@H+]1CC2C=CC1C2)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769283	1	51	0.0	-66.97	414.39	2.63	-64.34
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024769327	0	52	0.0	-74.14	411.69	-0.80	-74.94
COCCN(C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769358	0	52	0.0	-70.71	425.42	0.58	-70.13
COCC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769358	1	52	0.0	-70.90	425.64	0.59	-70.31
COCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769358	1	52	0.0	-70.90	425.64	0.59	-70.31
CC(CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024769361	0	54	0.0	-73.78	428.65	2.49	-71.29
CC[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024769374	0	52	0.0	-67.65	421.67	2.73	-64.92
C[N@@H+]1CC2CC1(C(=O)NCC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024769399	0	50	0.0	-70.76	405.44	2.10	-68.66
O=C(C[N@@H+]1CC2CCC1C2)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769406	0	53	0.0	-68.50	421.75	2.81	-65.69
O=C(C[N@H+]1CC2CCC1C2)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769406	1	53	0.0	-68.50	421.75	2.81	-65.69
CC(C[NH+](C)C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769419	0	51	0.0	-71.80	413.71	2.02	-69.78
CCN1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769447	0	49	0.0	-69.47	406.97	1.73	-67.74
CC[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769447	1	49	0.0	-69.12	406.78	1.80	-67.32
CC[N@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769447	1	49	0.0	-69.12	406.78	1.80	-67.32
CCC(C)(C)[NH2+]C(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769453	0	57	0.0	-69.26	440.64	1.33	-67.93
CCCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024769483	0	54	0.0	-68.46	427.34	2.51	-65.95
C[NH+](C)C(C)(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769487	0	51	0.0	-72.20	402.74	1.91	-70.29
CC(CC[NH+](C)C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769500	0	54	0.0	-72.50	435.35	2.64	-69.86
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769548	0	55	0.0	-68.02	435.71	2.35	-65.67
C[N@H+]1CC(C)(C)CC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769548	1	55	0.0	-68.02	435.71	2.35	-65.67
C[NH+](C)CCCCCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769550	0	57	0.0	-73.11	462.17	3.68	-69.43
CN1CCN(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024769557	0	54	0.0	-71.51	434.71	0.27	-71.24
C[NH+]1CCN(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024769557	1	54	0.0	-71.51	434.71	0.27	-71.24
CC1CN(C)CC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024769598	0	53	0.0	-80.44	433.86	1.93	-78.51
CC1C[N@H+](C)CC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024769598	1	53	0.0	-78.60	433.99	1.90	-76.70
CC1C[N@@H+](C)CC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024769598	1	53	0.0	-78.60	433.99	1.90	-76.70
C[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769642	0	52	0.0	-67.76	407.82	2.20	-65.56
C[N@@H+]1CCC(=CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024769700	0	50	0.0	-74.46	413.04	2.34	-72.12
C[N@H+]1CCC(=CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024769700	1	50	0.0	-74.46	413.04	2.34	-72.12
O=C(CNC1=CC=[NH+]C=C1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769702	0	48	0.0	-70.27	411.02	0.02	-70.25
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024769752	0	55	0.0	-69.96	427.53	3.24	-66.72
CCC1CN(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024769759	0	52	0.0	-71.24	427.93	2.64	-68.60
CCC1C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024769759	1	52	0.0	-71.24	427.93	2.64	-68.60
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769768	0	49	0.0	-68.51	395.14	1.32	-67.19
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024769846	0	52	0.0	-70.64	425.08	2.44	-68.20
C[NH+](C)CCC1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024769854	0	55	0.0	-75.54	451.09	3.26	-72.28
C[N@@H+]1CC=CCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769855	0	53	0.0	-64.64	421.33	2.77	-61.87
C[N@H+]1CC=CCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769855	1	53	0.0	-64.64	421.33	2.77	-61.87
C[NH+](C)CCOCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769883	0	52	0.0	-71.15	431.19	1.81	-69.34
[NH2+]=C1SC=CN1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769907	0	45	0.0	-67.46	402.38	0.94	-66.52
O=C(C[NH+]1CCCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769962	0	52	0.0	-69.82	417.41	2.64	-67.18
C[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024769963	0	52	0.0	-71.16	419.94	2.35	-68.81
C[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024769963	1	52	0.0	-66.23	413.69	2.55	-63.68
O=C(C[NH+]1CCCCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769964	0	55	0.0	-70.00	426.38	2.81	-67.19
CN1C=C[N+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024769967	0	47	0.0	-68.96	406.54	4.26	-64.70
O=C(C[NH+]1CCC(O)CC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024769986	1	53	0.0	-74.10	428.50	-0.72	-74.82
C[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024769987	1	49	0.0	-68.33	404.71	2.16	-66.17
CCOCC(N=[N+]=[N-])C(=O)NCC1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024770002	0	49	0.0	-23.91	428.49	-2.96	-26.87
CC(CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024770005	0	54	0.0	-75.07	432.45	2.73	-72.34
CN1CCOCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770022	0	53	0.0	-69.03	418.50	0.40	-68.63
C[N@@H+]1CCOCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770022	1	53	0.0	-68.84	418.42	0.43	-68.41
C[N@H+]1CCOCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770022	1	53	0.0	-69.03	418.50	0.40	-68.63
CC1(O)CC[N@@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024770083	1	53	0.0	-70.81	431.70	-0.80	-71.61
C[NH+]1CC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024770104	0	49	0.0	-71.37	406.75	1.58	-69.79
C[NH+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770113	0	45	0.0	-70.93	375.31	0.75	-70.18
C[N@H+](CCO)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770127	0	52	0.0	-71.58	425.76	-1.26	-72.84
C[N@@H+](CCO)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770127	1	52	0.0	-71.40	425.74	-1.27	-72.67
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024770128	0	48	0.0	-68.56	393.20	1.17	-67.39
C[N@@H+]1CCCCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770142	0	55	0.0	-64.37	427.10	2.78	-61.59
C[N@H+]1CCCCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770142	1	55	0.0	-71.97	434.41	2.97	-69.00
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024770152	1	52	0.0	-67.94	424.04	2.40	-65.54
CC1CC[N@@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770154	1	49	0.0	-68.62	401.13	1.54	-67.08
CC1CC[N@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770154	1	49	0.0	-68.85	406.50	1.86	-66.99
C[NH+](C)CC=CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770160	0	49	0.0	-75.01	411.27	1.96	-73.05
CC1(C)C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024770165	1	52	0.0	-70.40	425.91	2.37	-68.03
O=C(C[N@H+]1CCCC1CO)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770199	0	53	0.0	-68.84	430.01	-0.68	-69.52
O=C(C[N@@H+]1CCCC1CO)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770199	1	53	0.0	-69.06	428.35	-0.60	-69.66
CC[NH+](CC)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770201	0	51	0.0	-68.88	406.90	1.83	-67.05
O=C(C[NH+]1CCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770210	1	46	0.0	-70.72	385.40	1.18	-69.54
CC[NH+](CC)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770238	0	54	0.0	-70.84	433.25	2.68	-68.16
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024770288	1	49	0.0	-67.79	403.45	1.81	-65.98
CCC(CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024770293	0	57	0.0	-67.26	450.55	3.37	-63.89
C[NH+](C)CC(C)(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770298	0	54	0.0	-70.59	424.45	2.61	-67.98
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770327	0	52	0.0	-67.95	407.97	2.18	-65.77
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770327	1	52	0.0	-67.78	417.10	2.37	-65.41
C[NH+](C)CC(O)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770346	0	52	0.0	-75.44	427.92	-0.19	-75.63
C=CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024770366	0	52	0.0	-67.84	418.98	2.23	-65.61
C[NH+]1CCC(C)(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024770377	0	55	0.0	-71.33	432.60	2.80	-68.53
NC(=[NH2+])SCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770398	0	43	0.0	-76.10	383.84	-2.38	-78.48
C[NH+](C)CCC1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024770421	0	55	0.0	-78.83	445.36	2.95	-75.88
C[N@@H+]1CC=CCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770422	0	53	0.0	-67.42	421.56	2.73	-64.69
C[N@H+]1CC=CCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770422	1	53	0.0	-76.72	426.40	2.82	-73.90
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770508	0	49	0.0	-72.21	393.99	1.14	-71.07
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770508	1	49	0.0	-72.21	393.99	1.14	-71.07
CC1C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024770530	0	52	0.0	-74.74	415.89	2.25	-72.49
CC1C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024770530	1	52	0.0	-74.74	415.89	2.25	-72.49
CN1CCOCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770558	0	53	0.0	-69.32	418.30	0.43	-68.89
C[N@@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770558	1	53	0.0	-69.35	418.43	0.41	-68.94
C[N@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770558	1	53	0.0	-69.35	418.43	0.41	-68.94
C[N@@H+]1CCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770771	0	52	0.0	-71.05	418.17	1.44	-69.61
CN1CCOC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024770795	0	53	0.0	-80.01	422.35	0.69	-79.32
C[N@@H+]1CCOC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024770795	1	53	0.0	-77.11	422.39	0.67	-76.44
C[N@H+]1CCOC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024770795	1	53	0.0	-77.11	422.39	0.67	-76.44
CC1=NC=CN1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770934	0	50	0.0	-71.35	421.53	2.02	-69.33
CC1=[NH+]C=CN1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024770934	1	50	0.0	-71.35	421.53	2.02	-69.33
C[C@@H]1[C@H](C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024770952	0	55	0.0	-74.66	434.17	1.89	-72.77
C[C@@H]1[C@H](C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024770952	1	55	0.0	-74.66	434.17	1.89	-72.77
C[NH+](C)C1(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024770972	0	55	0.0	-69.87	425.50	2.02	-67.85
CC(C)[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024770974	0	57	0.0	-72.57	442.07	2.58	-69.99
C[N@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024770983	0	55	0.0	-71.47	433.79	2.80	-68.67
C[N@@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024770983	1	55	0.0	-71.47	433.79	2.80	-68.67
C[NH+]1CCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024771007	0	55	0.0	-79.30	436.69	2.06	-77.24
C[N@@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771013	0	55	0.0	-64.18	429.62	2.43	-61.75
CC1=CN=CN1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771030	0	50	0.0	-66.83	416.38	3.13	-63.70
CC1=C[NH+]=CN1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771030	1	50	0.0	-66.83	416.38	3.13	-63.70
C[N@@H+]1CCC(CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771040	0	55	0.0	-75.52	433.99	2.41	-73.11
C[N@H+]1CCC(CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771040	1	55	0.0	-75.52	433.99	2.41	-73.11
CCC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024771043	0	54	0.0	-71.29	422.52	1.40	-69.89
C[NH+](C)CCCCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771057	0	57	0.0	-75.07	453.04	2.95	-72.12
CC(C)C(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024771060	0	57	0.0	-71.75	439.44	2.62	-69.13
CCC[N@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771061	0	57	0.0	-76.74	453.69	2.35	-74.39
CCC[N@@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771061	1	57	0.0	-76.74	453.69	2.35	-74.39
CCC[N@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771062	0	54	0.0	-74.55	431.33	1.82	-72.73
CCC[N@@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771062	1	54	0.0	-74.55	431.33	1.82	-72.73
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771077	0	52	0.0	-64.24	414.01	1.89	-62.35
CC[NH+](CC)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771089	0	54	0.0	-71.44	423.77	2.19	-69.25
C[NH+](C)CC1(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024771143	0	55	0.0	-78.50	442.71	2.09	-76.41
C[NH+]1CCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024771165	0	55	0.0	-79.30	436.69	2.06	-77.24
CC(C)[C@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024771180	0	57	0.0	-70.76	436.91	2.95	-67.81
CC[N@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771207	0	54	0.0	-74.35	427.77	2.03	-72.32
CC[N@@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771207	1	54	0.0	-75.93	432.20	1.60	-74.33
CC1CCC[N@@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771217	0	55	0.0	-63.78	426.33	2.20	-61.58
CC1CCC[N@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771217	1	55	0.0	-71.18	430.79	1.77	-69.41
CC1CC[N@H+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771218	0	55	0.0	-73.96	437.46	2.15	-71.81
CC1CC[N@@H+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771218	1	55	0.0	-72.35	433.02	2.51	-69.84
CC[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024771220	0	54	0.0	-71.30	422.52	1.40	-69.90
C[NH+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771256	0	48	0.0	-73.56	387.67	0.82	-72.74
CN1C=C[N+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024771257	0	50	0.0	-65.33	418.91	4.33	-61.00
C[N@@H+]1CCCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771260	0	55	0.0	-68.42	430.44	2.24	-66.18
C[N@H+]1CCCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771260	1	55	0.0	-75.09	436.68	2.02	-73.07
CC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024771267	1	52	0.0	-64.58	415.43	1.86	-62.72
C[NH+](C)CC(C)(C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771270	0	57	0.0	-71.12	439.63	2.10	-69.02
C[N@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024771277	0	52	0.0	-71.49	421.37	1.81	-69.68
C[N@@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024771277	1	52	0.0	-70.97	417.08	2.23	-68.74
C[NH+]1CC(CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771288	0	52	0.0	-73.68	419.12	1.64	-72.04
C[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024771300	0	51	0.0	-71.97	405.78	1.23	-70.74
[N-]=[N+]=NCC(=O)NC1CCCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024771307	0	42	0.0	-25.91	369.07	-4.00	-29.91
C[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024771338	0	51	0.0	-71.97	405.78	1.23	-70.74
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771341	0	55	0.0	-64.83	420.32	2.24	-62.59
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771341	1	55	0.0	-70.68	434.05	2.00	-68.68
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C[NH+]2CCC2)C1	REAL300024771368	1	49	0.0	-73.40	397.97	1.30	-72.10
C[N@@H+]1CCC(=CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771377	0	53	0.0	-77.59	430.97	1.94	-75.65
C[N@H+]1CCC(=CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771377	1	53	0.0	-77.59	430.95	1.95	-75.64
C[C@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024771395	0	51	0.0	-71.35	405.81	1.25	-70.10
CC1C[NH+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771411	1	52	0.0	-73.31	418.94	1.92	-71.39
C[N@H+](CCO)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771424	1	52	0.0	-74.01	415.76	-1.75	-75.76
C[N@@H+](CCO)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771424	1	52	0.0	-75.04	419.97	-2.18	-77.22
CC(CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024771436	0	57	0.0	-78.09	444.79	2.81	-75.28
CC[N@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771438	0	51	0.0	-66.52	405.41	1.50	-65.02
CC[N@@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771438	1	51	0.0	-72.91	405.41	1.49	-71.42
CC[N@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024771448	0	55	0.0	-64.12	434.03	2.81	-61.31
CC[N@@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024771448	1	55	0.0	-70.51	434.04	2.81	-67.70
CC[NH+](CC)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771454	0	57	0.0	-73.54	445.63	2.73	-70.81
CC1(C)C[NH+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771462	1	55	0.0	-73.53	438.07	2.39	-71.14
C[NH+](C)CC=CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771469	0	52	0.0	-77.11	424.90	2.09	-75.02
CC(CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024771486	0	57	0.0	-72.17	445.03	2.57	-69.60
CC[N@@H+]1CCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771490	1	52	0.0	-73.81	423.75	1.37	-72.44
CC[N@H+]1CCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771490	1	52	0.0	-73.65	423.74	1.42	-72.23
C=CCC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024771511	0	55	0.0	-70.67	435.77	1.89	-68.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C[NH+]2CC3CC3C2)C1	REAL300024771519	0	53	0.0	-74.72	427.44	2.28	-72.44
CCCC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024771524	0	57	0.0	-72.00	444.02	2.17	-69.83
C[NH+](C)C(C)(C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771526	0	54	0.0	-78.29	419.29	1.57	-76.72
C[N@@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771536	0	55	0.0	-64.86	420.33	2.24	-62.62
C[N@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771536	1	55	0.0	-64.18	429.62	2.43	-61.75
C[NH+](C)C1(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024771572	0	52	0.0	-75.92	416.18	2.19	-73.73
O=C(CC[NH+]1CCCC1)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771573	0	55	0.0	-67.62	435.53	2.53	-65.09
C[N@@H+]1CC2CC1(C(=O)NC1CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024771583	0	53	0.0	-77.17	419.92	1.98	-75.19
C[N@H+]1CC2CC1(C(=O)NC1CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024771583	1	53	0.0	-77.30	417.85	2.18	-75.12
CC(C[NH+](C)C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771618	0	54	0.0	-75.53	430.51	1.67	-73.86
CC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024771638	1	55	0.0	-71.14	435.64	2.57	-68.57
CC1CC[N@@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771639	1	52	0.0	-72.30	417.90	1.22	-71.08
CC1CC[N@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771639	1	52	0.0	-73.52	423.48	1.49	-72.03
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771670	0	55	0.0	-68.43	437.24	2.55	-65.88
CC(CC[NH+](C)C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771671	0	57	0.0	-73.66	447.72	2.71	-70.95
C[N@@H+]1CCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771840	0	52	0.0	-73.06	412.11	0.95	-72.11
C[N@H+]1CCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024771840	1	52	0.0	-71.05	418.17	1.44	-69.61
C[N@@H+]1CCOC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771866	1	53	0.0	-80.01	422.35	0.69	-79.32
C[N@H+]1CCOC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024771866	1	53	0.0	-77.11	422.39	0.67	-76.44
C[N@@H+]1CCC(CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772016	0	55	0.0	-76.05	438.91	1.96	-74.09
C[N@H+]1CCC(CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772016	1	55	0.0	-75.52	433.99	2.41	-73.11
CCC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024772019	0	54	0.0	-71.29	422.52	1.40	-69.89
C[NH+](C)CCCCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772029	0	57	0.0	-75.07	453.04	2.95	-72.12
CC(C)C(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024772032	0	57	0.0	-71.75	439.44	2.62	-69.13
CCC[N@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772033	0	57	0.0	-68.85	449.27	2.78	-66.07
CCC[N@@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772033	1	57	0.0	-76.74	453.69	2.35	-74.39
CCC[N@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772034	0	54	0.0	-66.96	426.90	2.23	-64.73
CCC[N@@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772034	1	54	0.0	-74.55	431.33	1.82	-72.73
C[NH+](C)CC1(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024772073	0	55	0.0	-78.50	442.71	2.09	-76.41
CC[N@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772079	0	54	0.0	-74.35	427.77	2.03	-72.32
CC[N@@H+](C)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772079	1	54	0.0	-75.93	432.20	1.60	-74.33
C[NH+]1CCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024772101	0	55	0.0	-79.30	436.69	2.06	-77.24
CC(C)[C@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024772116	0	57	0.0	-70.76	436.91	2.95	-67.81
C[NH+](C)C1(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024772138	0	55	0.0	-69.87	425.50	2.02	-67.85
CC1CCC[N@@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772162	0	55	0.0	-63.78	426.33	2.20	-61.58
CC1CCC[N@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772162	1	55	0.0	-71.18	430.79	1.77	-69.41
CC(C)[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024772173	0	57	0.0	-72.57	442.07	2.58	-69.99
CC1CC[N@H+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772181	0	55	0.0	-73.96	437.46	2.15	-71.81
CC1CC[N@@H+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772181	1	55	0.0	-72.35	433.02	2.51	-69.84
CC[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024772183	0	54	0.0	-71.30	422.52	1.40	-69.90
CC1=[NH+]C=CN1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772220	1	50	0.0	-71.35	421.53	2.02	-69.33
CC1=C[NH+]=CN1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772238	1	50	0.0	-66.83	416.38	3.13	-63.70
C[C@@H]1[C@H](C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024772239	0	55	0.0	-76.43	429.65	1.61	-74.82
C[C@@H]1[C@H](C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024772239	1	55	0.0	-74.66	434.17	1.89	-72.77
C[N@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024772269	0	55	0.0	-65.00	433.89	2.81	-62.19
C[N@@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024772269	1	55	0.0	-71.47	433.79	2.80	-68.67
C[NH+]1CCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024772275	0	55	0.0	-79.30	436.69	2.06	-77.24
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772288	0	52	0.0	-66.01	407.68	1.38	-64.63
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772288	1	52	0.0	-64.24	414.01	1.89	-62.35
C[N@@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772331	0	55	0.0	-64.86	420.33	2.24	-62.62
C[N@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772331	1	55	0.0	-64.18	429.62	2.43	-61.75
CC1C(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024772360	0	55	0.0	-73.82	433.40	1.61	-72.21
CC1C(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024772360	1	55	0.0	-71.38	433.53	2.41	-68.97
C[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024772401	0	51	0.0	-71.97	405.78	1.23	-70.74
O=C(CC[NH+]1CCCC1)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772419	0	55	0.0	-67.62	435.53	2.53	-65.09
C[N@H+](CCO)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772424	1	52	0.0	-74.01	415.76	-1.75	-75.76
C[N@@H+](CCO)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772424	1	52	0.0	-75.04	419.97	-2.18	-77.22
CC1C[NH+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772467	1	52	0.0	-73.31	418.94	1.92	-71.39
CC[N@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772499	0	51	0.0	-66.52	405.41	1.50	-65.02
CC[N@@H+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772499	1	51	0.0	-72.91	405.41	1.49	-71.42
CC(CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024772552	0	57	0.0	-72.17	445.03	2.57	-69.60
CC[N@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024772557	0	55	0.0	-64.12	434.03	2.81	-61.31
CC[N@@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024772557	1	55	0.0	-70.51	434.04	2.81	-67.70
C[N@@H+]1CC2CC1(C(=O)NC1CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024772570	0	53	0.0	-77.17	419.92	1.98	-75.19
C[N@H+]1CC2CC1(C(=O)NC1CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024772570	1	53	0.0	-77.30	417.85	2.18	-75.12
CC(C[NH+](C)C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772579	0	54	0.0	-75.53	430.51	1.67	-73.86
C[NH+](C)C1(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024772585	0	52	0.0	-75.92	416.18	2.19	-73.73
C[C@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024772595	0	51	0.0	-71.35	405.81	1.25	-70.10
CC[N@@H+]1CCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772598	1	52	0.0	-73.81	423.75	1.37	-72.44
CC[N@H+]1CCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772598	1	52	0.0	-73.65	423.74	1.42	-72.23
NC1=CC=[NH+]C=C1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772609	0	48	0.0	-76.60	400.57	-1.10	-77.70
CCCC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024772613	0	57	0.0	-72.00	444.02	2.17	-69.83
C[NH+](C)C(C)(C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772616	0	54	0.0	-78.29	419.29	1.57	-76.72
CC(CC[NH+](C)C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772625	0	57	0.0	-73.66	447.72	2.71	-70.95
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C[NH+]2CC3CC3C2)C1	REAL300024772684	0	53	0.0	-74.72	427.44	2.28	-72.44
C[N@@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772692	0	55	0.0	-64.86	420.33	2.24	-62.62
C[N@H+]1CCCCC1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772692	1	55	0.0	-64.18	429.62	2.43	-61.75
C[N@@H+]1CCC(=CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772717	0	53	0.0	-77.59	430.97	1.94	-75.65
C[N@H+]1CCC(=CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772717	1	53	0.0	-77.59	430.95	1.95	-75.64
[N-]=[N+]=NCC(=O)NC1CCCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024772724	0	42	0.0	-25.91	369.07	-4.00	-29.91
CCC1C[NH+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772740	1	55	0.0	-67.71	440.13	2.63	-65.08
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772745	0	52	0.0	-63.74	413.36	1.79	-61.95
C[N@H+]1CCC[C@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772745	1	52	0.0	-65.66	407.67	1.38	-64.28
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772785	0	55	0.0	-68.43	437.24	2.55	-65.88
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C[NH+]2CCCCC2)C1	REAL300024772826	0	55	0.0	-72.96	429.39	2.69	-70.27
C[N@@H+]1CCCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772827	0	55	0.0	-68.42	430.44	2.24	-66.18
C[N@H+]1CCCC(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772827	1	55	0.0	-75.09	436.68	2.02	-73.07
CN1C=C[N+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024772828	0	50	0.0	-65.33	418.91	4.33	-61.00
C[N@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024772838	0	52	0.0	-71.49	421.37	1.81	-69.68
C[N@@H+](CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024772838	1	52	0.0	-70.97	417.08	2.23	-68.74
CC(CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024772846	0	57	0.0	-78.09	444.79	2.81	-75.28
C[NH+]1CC(CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772895	0	52	0.0	-73.68	419.12	1.64	-72.04
C[NH+](C)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772902	0	48	0.0	-73.56	387.67	0.82	-72.74
C[C@@H](C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024772910	0	51	0.0	-71.97	405.78	1.23	-70.74
CC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024772924	1	55	0.0	-71.14	435.64	2.57	-68.57
CC1CC[N@@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772925	1	52	0.0	-72.30	417.90	1.22	-71.08
CC1CC[N@H+]1CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772925	1	52	0.0	-73.52	423.48	1.49	-72.03
C[NH+](C)CC=CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772927	0	52	0.0	-77.11	424.90	2.09	-75.02
CC1(C)C[NH+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024772931	1	55	0.0	-73.53	438.07	2.39	-71.14
CC[NH+](CC)CC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772944	0	54	0.0	-71.44	423.77	2.19	-69.25
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C[NH+]2CCC2)C1	REAL300024772949	1	49	0.0	-73.40	397.97	1.30	-72.10
CC[NH+](CC)CCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772967	0	57	0.0	-73.54	445.63	2.73	-70.81
CC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024772995	1	52	0.0	-64.58	415.43	1.86	-62.72
C[NH+](C)CC(C)(C)C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024772999	0	57	0.0	-71.12	439.63	2.10	-69.02
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773019	0	55	0.0	-64.83	420.32	2.24	-62.59
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773019	1	55	0.0	-70.68	434.05	2.00	-68.68
C=CCC(C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024773038	0	55	0.0	-70.67	435.77	1.89	-68.78
NC(=[NH2+])SCC(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773061	0	46	0.0	-76.63	400.63	-2.74	-79.37
CCC1C[NH+](CC(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024773116	1	55	0.0	-67.71	440.13	2.63	-65.08
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773120	0	52	0.0	-63.74	413.36	1.79	-61.95
C[N@H+]1CCC[C@H]1C(=O)NC1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773120	1	52	0.0	-65.66	407.67	1.38	-64.28
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C[NH+]2CCCCC2)C1	REAL300024773127	0	55	0.0	-72.96	429.39	2.69	-70.27
CC1C(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024773131	0	55	0.0	-73.82	433.40	1.61	-72.21
CC1C(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024773131	1	55	0.0	-71.38	433.53	2.41	-68.97
C[NH+](C)CC(=O)NCC1=CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024773213	0	51	0.0	-73.90	433.52	2.17	-71.73
[N-]=[N+]=NCC(=O)NCC1=CC=C(CCNC(=O)CSC2=NC(=O)NN2)C=C1	REAL300024773218	0	45	0.0	-25.08	410.49	-2.23	-27.31
[N-]=[N+]=NCC(=O)NCCC1=CC=C(CNC(=O)CSC2=NC(=O)NN2)C=C1	REAL300024773287	0	45	0.0	-25.51	410.49	-2.22	-27.73
C[NH+](C)CC(=O)NCCC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024773298	0	51	0.0	-75.35	433.52	2.17	-73.18
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300024773468	0	52	0.0	-71.31	403.79	3.48	-67.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCC[N@H+]2C)C1	REAL300024773468	1	52	0.0	-70.65	402.88	3.40	-67.25
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300024773492	1	53	0.0	-90.50	413.92	2.88	-87.62
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300024773492	1	53	0.0	-82.47	406.99	2.71	-79.76
CC1=[NH+]C=CN1CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773631	1	50	0.0	-71.55	410.47	4.25	-67.30
C[C@@H]1[C@H](C(=O)N2CCCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024773649	0	55	0.0	-79.77	416.14	3.57	-76.20
C[C@@H]1[C@H](C(=O)N2CCCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024773649	1	55	0.0	-77.53	421.28	4.17	-73.36
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300024773669	0	55	0.0	-75.89	405.82	3.60	-72.29
CC(C)[C@@H](C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024773671	0	57	0.0	-70.97	423.76	4.16	-66.81
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300024773680	0	55	0.0	-72.36	427.30	4.63	-67.73
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300024773680	1	55	0.0	-72.42	427.16	4.62	-67.80
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300024773704	0	55	0.0	-80.49	425.42	4.21	-76.28
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300024773710	0	55	0.0	-72.16	420.84	4.17	-67.99
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300024773710	1	55	0.0	-76.59	413.75	3.86	-72.73
CC1=C[NH+]=CN1CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773727	1	50	0.0	-73.08	409.76	4.93	-68.15
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300024773737	0	55	0.0	-77.68	427.75	4.31	-73.37
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300024773737	1	55	0.0	-78.52	427.61	4.30	-74.22
CCC(C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024773740	0	54	0.0	-72.31	411.22	3.65	-68.66
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)CCCC[NH+](C)C)C1	REAL300024773754	0	57	0.0	-78.81	446.42	4.82	-73.99
CC(C)C(C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024773757	0	57	0.0	-75.41	420.79	4.03	-71.38
CCC[N@H+](C)CCC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773758	0	57	0.0	-78.00	442.66	4.65	-73.35
CCC[N@@H+](C)CCC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773758	1	57	0.0	-78.10	442.65	4.64	-73.46
CCC[N@H+](C)CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773759	0	54	0.0	-74.64	420.27	4.05	-70.59
CCC[N@@H+](C)CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773759	1	54	0.0	-74.54	420.28	4.04	-70.50
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300024773774	0	52	0.0	-71.97	402.85	3.47	-68.50
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300024773774	1	52	0.0	-75.88	399.97	3.16	-72.72
CC[NH+](CC)CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773786	0	54	0.0	-72.65	412.65	3.71	-68.94
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300024773840	0	55	0.0	-79.46	429.02	4.20	-75.26
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300024773862	0	55	0.0	-80.49	425.42	4.21	-76.28
CC(C)[C@H](C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024773877	0	57	0.0	-71.17	423.94	4.17	-67.00
CC[N@H+](C)CCC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773904	0	54	0.0	-77.20	421.16	3.91	-73.29
CC[N@@H+](C)CCC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773904	1	54	0.0	-77.27	421.15	3.91	-73.36
CC1CCC[N@@H+]1CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773914	0	55	0.0	-70.79	419.79	4.00	-66.79
CC1CCC[N@H+]1CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024773914	1	55	0.0	-71.67	426.21	4.41	-67.26
CC1CC[N@H+](CC(=O)N2CCCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024773915	0	55	0.0	-73.68	426.43	4.32	-69.36
CC1CC[N@@H+](CC(=O)N2CCCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024773915	1	55	0.0	-73.99	427.09	4.37	-69.62
CC[C@@H](C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024773917	0	54	0.0	-72.66	412.44	3.77	-68.89
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+](C)C)C1	REAL300024773953	0	48	0.0	-75.11	381.06	2.64	-72.47
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300024773954	0	50	0.0	-71.41	412.30	6.15	-65.26
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300024773957	0	55	0.0	-80.52	425.18	4.19	-76.33
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300024773957	1	55	0.0	-77.78	425.20	4.18	-73.60
CC(C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024773964	1	52	0.0	-63.50	399.90	3.19	-60.31
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300024773967	0	57	0.0	-71.88	419.22	3.86	-68.02
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@H+](C)C2CC2)C1	REAL300024773974	0	52	0.0	-71.89	410.47	4.05	-67.84
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300024773974	1	52	0.0	-71.45	410.31	4.03	-67.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)CC2C[NH+](C)C2)C1	REAL300024773985	0	52	0.0	-75.74	412.35	3.51	-72.23
C[C@@H](C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024773997	0	51	0.0	-73.23	397.79	3.05	-70.18
CN(C(=O)CSC1=NC(=O)NN1)C1CCCN(C(=O)CN=[N+]=[N-])C1	REAL300024774004	0	42	0.0	-25.93	358.01	-1.78	-27.71
C[C@@H](C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024774035	0	51	0.0	-73.23	397.79	3.05	-70.18
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300024774038	0	55	0.0	-68.73	420.38	4.17	-64.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300024774038	1	55	0.0	-76.24	413.45	3.86	-72.38
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024774065	1	49	0.0	-75.28	391.36	3.11	-72.17
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300024774074	0	53	0.0	-80.15	418.89	4.19	-75.96
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300024774074	1	53	0.0	-79.58	418.87	4.19	-75.39
C[C@H](C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024774092	0	51	0.0	-74.03	397.32	2.97	-71.06
CC1C[NH+](CC(=O)N2CCCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024774108	1	52	0.0	-74.86	412.36	3.73	-71.13
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@H+](C)CCO)C1	REAL300024774121	1	52	0.0	-74.99	409.15	0.07	-74.92
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@@H+](C)CCO)C1	REAL300024774121	1	52	0.0	-75.62	408.93	0.07	-75.55
CC(CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024774133	0	57	0.0	-78.19	438.09	4.71	-73.48
CC[N@H+](C)CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774135	0	51	0.0	-74.36	398.77	3.30	-71.06
CC[N@@H+](C)CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774135	1	51	0.0	-74.35	398.80	3.31	-71.04
CC[N@H+](CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024774145	0	55	0.0	-70.93	429.65	4.67	-66.26
CC[N@@H+](CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024774145	1	55	0.0	-71.97	427.49	4.64	-67.33
CC[NH+](CC)CCC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774151	0	57	0.0	-76.22	439.00	4.62	-71.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300024774159	1	55	0.0	-75.31	431.65	4.26	-71.05
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C=CC[NH+](C)C)C1	REAL300024774166	0	52	0.0	-79.74	417.16	3.90	-75.84
CC(CCC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024774183	0	57	0.0	-80.25	434.71	4.41	-75.84
CC[N@@H+]1CCC1C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774187	1	52	0.0	-74.77	412.18	3.57	-71.20
CC[N@H+]1CCC1C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774187	1	52	0.0	-74.57	411.65	3.54	-71.03
C=CCC(C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024774208	0	55	0.0	-69.02	422.52	4.03	-64.99
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024774216	0	53	0.0	-74.89	416.53	4.53	-70.36
CCCC(C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024774221	0	57	0.0	-70.45	430.77	4.31	-66.14
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300024774223	0	54	0.0	-79.51	401.89	3.17	-76.34
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300024774233	0	55	0.0	-72.16	420.84	4.17	-67.99
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300024774233	1	55	0.0	-76.59	413.75	3.86	-72.73
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2([NH+](C)C)CC2)C1	REAL300024774269	0	52	0.0	-78.82	403.17	3.12	-75.70
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024774270	0	55	0.0	-76.68	429.39	4.42	-72.26
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300024774280	0	53	0.0	-74.70	408.41	3.72	-70.98
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300024774280	1	53	0.0	-75.64	408.67	3.62	-72.02
CC(C[NH+](C)C)C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774315	0	54	0.0	-79.36	420.25	3.82	-75.54
CC(C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024774335	0	55	0.0	-71.23	429.10	4.21	-67.02
CC1CC[N@@H+]1CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774336	1	52	0.0	-74.03	412.45	3.71	-70.32
CC1CC[N@H+]1CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774336	1	52	0.0	-73.43	412.49	3.72	-69.71
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300024774367	0	55	0.0	-74.98	430.04	4.37	-70.61
CC(CC[NH+](C)C)C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774368	0	57	0.0	-79.72	441.90	4.46	-75.26
CN(C(=O)C1CCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774537	0	52	0.0	-62.36	405.89	3.54	-58.82
CN(C(=O)C1CCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774537	1	52	0.0	-63.48	405.79	3.48	-60.00
CN(C(=O)C1C[N@H+](C)CCO1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774563	1	53	0.0	-73.67	406.27	2.74	-70.93
CN(C(=O)C1C[N@@H+](C)CCO1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774563	1	53	0.0	-60.01	404.95	2.64	-57.37
CN(C(=O)CC1CC[N@H+](C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774713	0	55	0.0	-76.70	427.52	4.30	-72.40
CN(C(=O)CC1CC[N@@H+](C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774713	1	55	0.0	-78.06	427.50	4.31	-73.75
CCC(C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024774716	0	54	0.0	-68.47	406.98	3.52	-64.95
CN(C(=O)CCCC[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774726	0	57	0.0	-77.52	446.47	4.85	-72.67
CC(C)C(C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024774729	0	57	0.0	-70.22	424.47	4.22	-66.00
CCC[N@H+](C)CCC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774730	0	57	0.0	-76.13	442.66	4.67	-71.46
CCC[N@@H+](C)CCC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774730	1	57	0.0	-76.35	442.64	4.66	-71.69
CCC[N@H+](C)CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774731	0	54	0.0	-72.70	420.29	4.09	-68.61
CCC[N@@H+](C)CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774731	1	54	0.0	-72.56	420.29	4.09	-68.47
CN(C(=O)C1(C[NH+](C)C)CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774770	0	55	0.0	-72.72	428.66	4.23	-68.49
CC[N@H+](C)CCC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774776	0	54	0.0	-75.33	421.16	3.92	-71.41
CC[N@@H+](C)CCC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774776	1	54	0.0	-75.60	421.14	3.92	-71.68
CN(C(=O)C1CC[NH+](C)CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774798	0	55	0.0	-80.60	420.67	4.08	-76.52
CC(C)[C@H](C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024774813	0	57	0.0	-70.23	424.24	4.16	-66.07
CN(C(=O)C1([NH+](C)C)CCC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774835	0	55	0.0	-78.53	411.06	3.61	-74.92
CC1CCC[N@@H+]1CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774859	0	55	0.0	-69.09	419.74	4.05	-65.04
CC1CCC[N@H+]1CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774859	1	55	0.0	-69.97	426.03	4.35	-65.62
CC(C)[C@@H](C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024774870	0	57	0.0	-70.90	421.78	4.08	-66.82
CC1CC[N@H+](CC(=O)N(C)C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024774878	0	55	0.0	-72.28	426.40	4.42	-67.86
CC1CC[N@@H+](CC(=O)N(C)C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024774878	1	55	0.0	-71.58	426.37	4.34	-67.24
CC[C@@H](C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024774880	0	54	0.0	-61.13	411.39	3.64	-57.49
CC1=[NH+]C=CN1CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774917	1	50	0.0	-68.97	410.54	4.27	-64.70
CC1=C[NH+]=CN1CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774935	1	50	0.0	-71.65	409.76	4.98	-66.67
C[C@@H]1[C@H](C(=O)N(C)C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024774936	0	55	0.0	-79.77	416.91	3.65	-76.12
C[C@@H]1[C@H](C(=O)N(C)C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024774936	1	55	0.0	-74.36	420.67	4.07	-70.29
CN(C(=O)C[N@H+](C)C1CCC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774966	0	55	0.0	-70.53	427.27	4.64	-65.89
CN(C(=O)C[N@@H+](C)C1CCC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774966	1	55	0.0	-70.66	427.16	4.65	-66.01
CN(C(=O)C1CC[NH+](C)CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774972	0	55	0.0	-80.60	420.67	4.08	-76.52
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774985	0	52	0.0	-61.11	406.38	3.58	-57.53
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024774985	1	52	0.0	-73.23	400.48	3.20	-70.03
CN(C(=O)C1CCCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775028	0	55	0.0	-69.93	409.47	3.77	-66.16
CN(C(=O)C1CCCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775028	1	55	0.0	-71.65	409.51	3.76	-67.89
CC1C(C(=O)N(C)C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024775057	0	55	0.0	-76.90	415.45	3.92	-72.98
CC1C(C(=O)N(C)C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024775057	1	55	0.0	-77.03	417.64	3.92	-73.11
C[C@@H](C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024775098	0	51	0.0	-71.94	396.11	2.98	-68.96
CN(C(=O)CC[NH+]1CCCC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775116	0	55	0.0	-74.90	429.37	4.42	-70.48
CN(C(=O)C[N@H+](C)CCO)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775121	1	52	0.0	-73.14	409.14	0.10	-73.04
CN(C(=O)C[N@@H+](C)CCO)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775121	1	52	0.0	-73.64	408.92	0.09	-73.55
CC1C[NH+](CC(=O)N(C)C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024775164	1	52	0.0	-73.56	411.14	3.82	-69.74
CC[N@H+](C)CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775196	0	51	0.0	-72.42	398.79	3.34	-69.08
CC[N@@H+](C)CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775196	1	51	0.0	-72.33	398.79	3.33	-69.00
CC(CCC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024775249	0	57	0.0	-77.80	434.45	4.45	-73.35
CC[N@H+](CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024775254	0	55	0.0	-69.03	430.03	4.71	-64.32
CC[N@@H+](CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024775254	1	55	0.0	-69.91	427.13	4.67	-65.24
CN(C(=O)C12CC(C1)C[N@@H+]2C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775267	0	53	0.0	-76.41	407.08	3.95	-72.46
CN(C(=O)C12CC(C1)C[N@H+]2C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775267	1	53	0.0	-77.13	407.41	3.73	-73.40
CC(C[NH+](C)C)C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775276	0	54	0.0	-75.12	414.47	3.70	-71.42
CN(C(=O)C1([NH+](C)C)CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775282	0	52	0.0	-74.14	402.96	3.42	-70.72
C[C@H](C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024775292	0	51	0.0	-71.70	397.50	3.03	-68.67
CC[N@@H+]1CCC1C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775295	1	52	0.0	-70.82	401.82	3.23	-67.59
CC[N@H+]1CCC1C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775295	1	52	0.0	-70.88	404.63	3.32	-67.56
CN(C(=O)C1=C[NH+]=CC=C1N)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775306	0	48	0.0	-76.72	390.18	0.66	-76.06
CCCC(C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024775310	0	57	0.0	-71.15	431.93	4.46	-66.69
CN(C(=O)C(C)(C)[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775313	0	54	0.0	-73.40	401.51	3.15	-70.25
CC(CC[NH+](C)C)C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775322	0	57	0.0	-65.05	439.61	4.33	-60.72
CN(C(=O)C[NH+]1CC2CC2C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775381	0	53	0.0	-73.04	416.37	4.53	-68.51
CN(C(=O)C1CCCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775389	0	55	0.0	-69.93	409.47	3.77	-66.16
CN(C(=O)C1CCCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775389	1	55	0.0	-71.65	409.51	3.76	-67.89
CN(C(=O)C=C1CC[N@H+](C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775414	0	53	0.0	-77.96	418.14	4.27	-73.69
CN(C(=O)C=C1CC[N@@H+](C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775414	1	53	0.0	-77.94	419.10	4.21	-73.73
CN(C(=O)CN=[N+]=[N-])C1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024775421	0	42	0.0	-26.01	358.07	-1.73	-27.74
CCC1C[NH+](CC(=O)N(C)C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024775437	0	55	0.0	-73.80	433.77	4.51	-69.29
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775442	0	52	0.0	-73.26	399.95	3.19	-70.07
CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775442	1	52	0.0	-60.32	405.81	3.48	-56.84
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775482	0	55	0.0	-76.64	429.59	4.38	-72.26
CN(C(=O)C[NH+]1CCCCC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775523	0	55	0.0	-72.48	422.78	4.54	-67.94
CN(C(=O)C1CCC[N@H+](C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775524	0	55	0.0	-68.26	423.27	4.04	-64.22
CN(C(=O)C1CCC[N@@H+](C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775524	1	55	0.0	-74.50	420.70	4.04	-70.46
CN(C(=O)C[N+]1=CN(C)C=C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775525	0	50	0.0	-71.26	412.27	6.17	-65.09
CN(C(=O)C[N@H+](C)C1CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775535	0	52	0.0	-70.18	410.45	4.07	-66.11
CN(C(=O)C[N@@H+](C)C1CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775535	1	52	0.0	-69.77	410.31	4.06	-65.71
CC(CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024775543	0	57	0.0	-76.46	438.29	4.71	-71.75
CN(C(=O)CC1C[NH+](C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775592	0	52	0.0	-74.02	412.49	3.51	-70.51
CN(C(=O)C[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775599	0	48	0.0	-73.14	381.10	2.66	-70.48
C[C@@H](C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024775607	0	51	0.0	-71.94	396.11	2.98	-68.96
CC(C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024775621	0	55	0.0	-70.99	423.64	4.08	-66.91
CC1CC[N@@H+]1CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775622	1	52	0.0	-72.24	412.37	3.75	-68.49
CC1CC[N@H+]1CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775622	1	52	0.0	-70.78	406.81	3.46	-67.32
CN(C(=O)C=CC[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775624	0	52	0.0	-79.62	417.51	3.94	-75.68
CN(C(=O)C[NH+]1CC(C)(C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775628	1	55	0.0	-73.34	431.71	4.28	-69.06
CC[NH+](CC)CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775641	0	54	0.0	-71.10	412.69	3.74	-67.36
CN(C(=O)C[NH+]1CCC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775646	1	49	0.0	-73.31	391.41	3.13	-70.18
CC[NH+](CC)CCC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775664	0	57	0.0	-74.54	439.05	4.63	-69.91
CC(C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024775692	1	52	0.0	-60.33	407.47	3.46	-56.87
CN(C(=O)C(C)(C)C[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775696	0	57	0.0	-65.57	419.91	3.69	-61.88
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775716	0	55	0.0	-70.37	421.53	4.25	-66.12
CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024775716	1	55	0.0	-70.79	414.27	3.94	-66.85
C=CCC(C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024775735	0	55	0.0	-71.09	424.44	4.21	-66.88
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)CSC(N)=[NH2+])C1	REAL300024775758	0	46	0.0	-78.38	389.59	-0.40	-78.78
CCC1C[NH+](CC(=O)N2CCCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024775813	0	55	0.0	-75.87	433.73	4.49	-71.38
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300024775817	0	52	0.0	-72.46	399.75	3.17	-69.29
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300024775817	1	52	0.0	-62.07	406.05	3.52	-58.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024775824	0	55	0.0	-74.37	422.79	4.51	-69.86
CC1C(C(=O)N2CCCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024775828	0	55	0.0	-73.33	421.90	3.92	-69.41
CC1C(C(=O)N2CCCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024775828	1	55	0.0	-73.46	418.47	3.71	-69.75
CC(CCNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776034	0	48	0.0	-73.81	391.98	0.02	-73.79
CC(CCNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776034	1	48	0.0	-73.72	391.93	0.03	-73.69
CC(CCNC(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776058	1	49	0.0	-78.50	402.23	-0.21	-78.71
CC(CCNC(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776058	1	49	0.0	-87.63	409.35	-0.07	-87.70
CC(CCNC(=O)C(C)[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776213	0	57	0.0	-71.44	443.07	2.26	-69.18
CC(CCNC(=O)C1CCCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776215	0	57	0.0	-68.42	445.04	1.97	-66.45
CC(CCNC(=O)C1CCCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776215	1	57	0.0	-68.21	445.07	1.97	-66.24
CC(CCNC(=O)C1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776233	0	54	0.0	-69.66	430.78	1.60	-68.06
CC(CCNC(=O)C1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776233	1	54	0.0	-69.27	433.79	1.70	-67.57
CC(CCNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776248	0	55	0.0	-76.20	439.52	2.23	-73.97
CC(CCNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776248	1	55	0.0	-76.43	439.48	2.23	-74.20
CC(C)C1=[NH+]C=CN1CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776265	1	52	0.0	-69.32	437.62	2.20	-67.12
CC1=[NH+]C=CN1CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776288	1	46	0.0	-70.67	401.41	1.09	-69.58
CC(CCNC(=O)CCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776302	0	57	0.0	-75.68	457.03	2.67	-73.01
CC(CCNC(=O)C(C)(C)[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776315	0	57	0.0	-75.10	441.35	2.45	-72.65
CC(CCNC(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776323	0	52	0.0	-81.72	413.35	1.27	-80.45
CC(CCNC(=O)C1CCCC2CCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776356	0	55	0.0	-67.27	436.56	2.31	-64.96
CC(CCNC(=O)C1CCCC2CCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776356	1	55	0.0	-67.61	436.53	2.31	-65.30
CC(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776366	0	51	0.0	-79.01	408.57	0.45	-78.56
CC(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776366	1	51	0.0	-75.47	414.02	0.99	-74.48
CC[C@@H]1[C@@H](C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024776370	0	54	0.0	-76.37	429.47	1.16	-75.21
CC[C@@H]1[C@@H](C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024776370	1	54	0.0	-74.00	432.99	1.69	-72.31
CC[N@@H+]1CCOC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024776379	1	52	0.0	-78.05	420.04	0.43	-77.62
CC[N@H+]1CCOC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024776379	1	52	0.0	-78.00	420.04	0.42	-77.58
CC[NH+](CC)CC(F)C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776416	0	53	0.0	-77.46	429.11	1.10	-76.36
CC(CCNC(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776472	0	54	0.0	-70.31	429.01	1.35	-68.96
CC(CCNC(=O)CCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776476	0	54	0.0	-75.30	441.81	2.01	-73.29
C#CC[NH+]1CCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024776480	0	53	0.0	-80.50	441.75	2.35	-78.15
CC(CCNC(=O)CC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776481	0	54	0.0	-75.43	435.53	1.88	-73.55
CC[N@@H+]1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776485	0	54	0.0	-70.35	422.34	1.56	-68.79
CC[N@H+]1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776485	1	54	0.0	-70.48	422.31	1.56	-68.92
CC(C)C[N@@H+]1CCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024776497	0	57	0.0	-74.50	457.06	2.45	-72.05
CC(C)C[N@H+]1CCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024776497	1	57	0.0	-75.15	457.94	2.42	-72.73
CC(CCNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776500	0	51	0.0	-80.64	402.83	1.02	-79.62
CC(CCNC(=O)CC1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776502	0	57	0.0	-73.17	451.31	2.11	-71.06
CC(CCNC(=O)CC1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776502	1	57	0.0	-67.51	440.93	1.54	-65.97
CC(CCNC(=O)[C@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776512	0	53	0.0	-71.60	419.35	1.71	-69.89
CC(CCNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776547	0	51	0.0	-72.16	418.10	1.45	-70.71
CC(CCNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776547	1	51	0.0	-71.69	418.20	1.46	-70.23
CC(CCNC(=O)C(C)[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776588	0	57	0.0	-68.10	441.34	1.95	-66.15
C#CC[N@H+]1CCC[C@H]1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776638	1	50	0.0	-72.28	418.63	1.25	-71.03
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776638	1	50	0.0	-71.97	424.51	1.76	-70.21
CC(CCNC(=O)CCC1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776643	0	54	0.0	-73.74	433.93	1.50	-72.24
CC(CCNC(=O)CCC1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776643	1	54	0.0	-78.43	439.36	1.97	-76.46
CC(CCNC(=O)C12CCC[NH+](CCC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776650	0	55	0.0	-74.68	429.37	1.68	-73.00
CC(CCNC(=O)C1CCC2CCCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776653	0	55	0.0	-69.03	439.85	2.42	-66.61
CC(CCNC(=O)C1CCC2CCCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776653	1	55	0.0	-69.08	439.83	2.41	-66.67
CC(CCNC(=O)CCCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776667	0	57	0.0	-76.14	463.30	2.79	-73.35
CC(CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776676	0	51	0.0	-79.88	416.57	1.14	-78.74
CC(CCNC(=O)C1=NOC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776702	1	50	0.0	-81.81	431.10	0.50	-81.31
CC(CCNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776724	0	51	0.0	-70.96	413.94	1.06	-69.90
CC(CCNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776724	1	51	0.0	-71.40	404.61	0.88	-70.52
CC(C)C[N@@H+]1CCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776741	0	57	0.0	-72.71	446.41	2.74	-69.97
CC(C)C[N@H+]1CCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776741	1	57	0.0	-71.17	456.62	2.69	-68.48
CC(CCNC(=O)C1=CN2C=[NH+]C=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776822	0	46	0.0	-75.80	402.15	2.97	-72.83
CC1=[NH+]C=CN1CCCC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776828	1	52	0.0	-72.66	442.95	2.37	-70.29
CC(CCNC(=O)CC[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776832	1	52	0.0	-78.69	427.25	-0.52	-79.21
CC1=C[NH+]=CN1CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776854	1	46	0.0	-73.41	400.69	1.77	-71.64
CC(CCNC(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776885	0	52	0.0	-77.79	416.63	1.47	-76.32
CC(CCNC(=O)C1CCCC([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776904	0	57	0.0	-68.03	444.29	2.14	-65.89
CC(CCNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776906	0	51	0.0	-77.45	418.30	1.06	-76.39
CC(CCNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776906	1	51	0.0	-77.91	418.52	1.07	-76.84
CC(CCNC(=O)C1=C[NH+]=CC=C1N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776916	0	50	0.0	-84.11	423.00	0.29	-83.82
CCC(C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024776920	0	50	0.0	-70.63	402.63	0.47	-70.16
CC(CCNC(=O)CC1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776928	0	57	0.0	-78.23	435.81	1.90	-76.33
CC(CCNC(=O)C1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024776958	1	46	0.0	-81.36	402.42	2.99	-78.37
CC(CCNC(=O)CCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777001	0	53	0.0	-77.61	437.34	1.62	-75.99
CC(C)C(C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024777017	0	53	0.0	-71.59	419.36	1.71	-69.88
CCC[N@H+](C)CCC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777019	0	53	0.0	-76.80	433.57	1.43	-75.37
CCC[N@@H+](C)CCC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777019	1	53	0.0	-76.81	433.57	1.43	-75.38
CCC[N@H+](C)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777024	0	50	0.0	-74.01	411.21	0.88	-73.13
CCC[N@@H+](C)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777024	1	50	0.0	-73.98	411.21	0.88	-73.10
CC(CCNC(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777044	0	52	0.0	-81.49	413.91	0.71	-80.78
CC(CCNC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777044	1	52	0.0	-81.90	413.91	0.71	-81.19
CC(CCNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777074	0	48	0.0	-70.88	398.25	0.54	-70.34
CC(CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777074	1	48	0.0	-73.80	391.98	0.03	-73.77
CC[NH+](CC)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777127	0	50	0.0	-72.43	403.56	0.56	-71.87
CCC[N@@H+]1CCCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024777158	0	57	0.0	-74.06	455.70	2.50	-71.56
CCC[N@H+]1CCCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024777158	1	57	0.0	-67.24	449.48	2.70	-64.54
CC(CCNC(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777197	0	54	0.0	-74.71	434.94	1.97	-72.74
CC(CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777229	0	51	0.0	-77.53	422.63	1.19	-76.34
CC(CCNC(=O)C1CC[NH+](C(C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777288	0	57	0.0	-76.85	447.23	2.09	-74.76
CC(CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777303	0	51	0.0	-79.88	416.57	1.14	-78.74
CC(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777321	0	53	0.0	-71.11	415.59	1.01	-70.10
CCC(C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024777351	0	56	0.0	-67.55	438.24	1.85	-65.70
CC[N@H+](C)CCC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777398	0	50	0.0	-76.08	412.08	0.70	-75.38
CC[N@@H+](C)CCC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777398	1	50	0.0	-76.05	412.07	0.69	-75.36
CC(CCNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777444	0	51	0.0	-71.50	417.14	1.25	-70.25
CC(CCNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777444	1	51	0.0	-70.69	410.69	0.86	-69.83
CC(CCNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777446	0	51	0.0	-73.52	417.36	1.23	-72.29
CC(CCNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777446	1	51	0.0	-73.45	417.85	1.24	-72.21
CC(CCNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777450	0	54	0.0	-73.70	437.55	1.73	-71.97
CC(CCNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777450	1	54	0.0	-73.66	437.55	1.73	-71.93
CC(CCNC(=O)C[N@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777451	0	56	0.0	-73.85	441.76	2.03	-71.82
CC(CCNC(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777451	1	56	0.0	-74.13	439.81	1.88	-72.25
CC[C@@H](C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024777459	0	50	0.0	-70.76	402.22	0.49	-70.27
CC(CCNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777600	0	44	0.0	-74.40	371.98	-0.53	-74.93
CC(CCNC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777604	0	54	0.0	-73.11	423.05	1.53	-71.58
CC(CCNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777608	0	46	0.0	-71.71	403.21	2.98	-68.73
CC(CCNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777614	0	51	0.0	-66.94	410.29	1.30	-65.64
CC(CCNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777614	1	51	0.0	-75.03	416.57	1.10	-73.93
CC(CCNC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777619	0	52	0.0	-73.59	424.44	1.48	-72.11
CC(CCNC(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777619	1	52	0.0	-69.28	424.32	1.86	-67.42
CC(CCNC(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777642	1	48	0.0	-72.74	401.98	0.41	-72.33
CCC(CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024777646	0	56	0.0	-67.88	447.21	2.09	-65.79
CC(CCNC(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777653	0	53	0.0	-69.41	419.51	1.17	-68.24
CC(CCNC(=O)C12CC(C1)C[N@@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777667	0	53	0.0	-75.02	428.92	2.10	-72.92
CC(CCNC(=O)C12CC(C1)C[N@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777667	1	53	0.0	-76.54	430.01	2.79	-73.75
CC(CCNC(=O)C[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777675	1	52	0.0	-79.04	424.79	-2.01	-81.05
CC(CCNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777676	0	48	0.0	-71.69	401.38	0.88	-70.81
CC(CCNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777676	1	48	0.0	-71.59	401.38	0.88	-70.71
CC(CCNC(=O)C(C)N1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777677	1	56	0.0	-74.05	445.23	-0.69	-74.74
CC(CCNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777695	0	48	0.0	-75.43	403.42	0.30	-75.13
CC(CCNC(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777699	0	55	0.0	-75.07	444.41	2.44	-72.63
CC(CCNC(=O)C1CC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777699	1	55	0.0	-74.65	442.65	2.27	-72.38
CC(CCNC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777707	0	54	0.0	-71.41	417.34	0.64	-70.77
CC(CCNC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777707	1	54	0.0	-72.98	415.88	1.06	-71.92
CC(CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777718	0	47	0.0	-72.53	390.08	-0.13	-72.66
CC(CCNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024777725	0	38	0.0	-26.14	348.94	-4.93	-31.07
CCC1CCC[N@H+](CC(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024777749	0	57	0.0	-74.50	452.96	2.59	-71.91
CCC1CCC[N@@H+](CC(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024777749	1	57	0.0	-74.47	452.96	2.59	-71.88
CC(CCNC(=O)C1=CC=C(C[NH+](C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777756	0	52	0.0	-88.23	438.82	0.65	-87.58
CC(CCNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777797	0	44	0.0	-70.32	399.05	-0.35	-70.67
CC(CCNC(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777807	0	51	0.0	-75.92	422.43	-2.54	-78.46
CC(CCNC(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777807	1	51	0.0	-75.40	422.41	-2.55	-77.95
CC(CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777808	0	47	0.0	-72.53	390.08	-0.13	-72.66
CC(CCNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777812	0	51	0.0	-70.61	413.94	1.06	-69.55
CC(CCNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777812	1	51	0.0	-71.38	404.62	0.90	-70.48
CC(CCNC(=O)C1C[N@@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777820	0	54	0.0	-81.21	423.36	-1.65	-82.86
CC(CCNC(=O)C1C[N@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777820	1	54	0.0	-81.61	423.33	-1.63	-83.24
CC(CCNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777880	1	45	0.0	-74.37	382.08	-0.10	-74.47
CC(CCNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777903	0	49	0.0	-77.80	410.83	1.02	-76.78
CC(CCNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777903	1	49	0.0	-77.90	409.87	1.04	-76.86
CC(CCNC(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777933	0	51	0.0	-74.34	427.85	0.53	-73.81
C=CCC(C)(C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024777952	0	54	0.0	-67.69	427.35	1.53	-66.16
CC(CCNC(=O)C(O)CC[S+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777956	0	50	0.0	-81.83	436.83	-0.87	-82.70
CC(CCNC(=O)C1(C)CC(O)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777981	0	52	0.0	-80.75	421.26	-2.37	-83.12
CC(CCNC(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777990	0	56	0.0	-72.03	442.10	-0.35	-72.38
CC(CCNC(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024777990	1	56	0.0	-72.03	442.10	-0.35	-72.38
CC(CCNC(=O)CN1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778007	0	48	0.0	-74.18	403.25	0.57	-73.61
CC(CCNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778007	1	48	0.0	-74.18	403.25	0.57	-73.61
CC(CCNC(=O)CN(C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778029	0	48	0.0	-74.89	400.06	-3.10	-77.99
CC(CCNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778029	1	48	0.0	-74.57	399.84	-3.10	-77.67
CC(CCNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778029	1	48	0.0	-74.57	399.84	-3.10	-77.67
CC(CCNC(=O)C1C[N@@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778048	0	54	0.0	-85.95	418.78	-0.72	-86.67
CC(CCNC(=O)C1C[N@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778048	1	54	0.0	-85.95	418.78	-0.72	-86.67
CC[N@@H+]1CCCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024778053	0	54	0.0	-73.46	434.21	1.75	-71.71
CC[N@H+]1CCCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024778053	1	54	0.0	-73.46	434.21	1.75	-71.71
CC(CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024778055	0	53	0.0	-79.87	429.12	1.45	-78.42
CC[N@H+](C)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778062	0	47	0.0	-73.79	389.71	0.15	-73.64
CC(CCNC(=O)C12CCC[N@@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778081	0	55	0.0	-68.18	426.32	2.06	-66.12
CC(CCNC(=O)C12CCC[N@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778081	1	55	0.0	-68.18	426.32	2.06	-66.12
CC(CCNC(=O)C12CCC[N@@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778086	0	53	0.0	-77.86	417.98	2.35	-75.51
CC(CCNC(=O)C12CCC[N@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778086	1	53	0.0	-77.86	417.98	2.35	-75.51
CC[N@H+](CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024778105	0	51	0.0	-72.80	413.38	1.38	-71.42
CC[NH+](CC)CCC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778117	0	53	0.0	-75.21	429.93	1.40	-73.81
CC(CCNC(=O)CN1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778136	0	51	0.0	-74.35	422.82	1.14	-73.21
CC(CCNC(=O)C[NH+]1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778136	1	51	0.0	-74.35	422.82	1.14	-73.21
CC(CCNC(=O)C[N@@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778158	0	52	0.0	-74.60	428.19	-2.12	-76.72
CC(CCNC(=O)C[N@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778158	1	52	0.0	-74.55	428.38	-2.13	-76.68
CC(CCNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778165	0	48	0.0	-79.11	407.94	0.69	-78.42
CC(CCNC(=O)C(C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778182	0	54	0.0	-75.31	447.63	1.22	-74.09
CC(CCNC(=O)CCOCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778189	0	54	0.0	-75.69	448.79	0.28	-75.41
COCC[N@H+](C)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778190	1	51	0.0	-74.27	422.10	-0.69	-74.96
COCC[N@@H+](C)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778190	1	51	0.0	-75.12	422.31	-0.69	-75.81
CC(CCNC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778214	0	54	0.0	-81.15	423.10	1.68	-79.47
CC(CCNC(=O)CCC(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778217	0	53	0.0	-74.52	429.26	1.20	-73.32
CC[N@@H+]1CCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778223	1	48	0.0	-72.75	395.85	0.32	-72.43
CC[N@H+]1CCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778223	1	48	0.0	-73.51	403.61	0.50	-73.01
CC(CCNC(=O)C1CCC[N@@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778231	0	57	0.0	-66.60	444.62	2.47	-64.13
CC(CCNC(=O)C1CCC[N@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778231	1	57	0.0	-66.40	444.60	2.47	-63.93
CC(CCNC(=O)C[N@@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778242	0	52	0.0	-73.77	424.98	-1.97	-75.74
CC(CCNC(=O)C[N@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778242	1	52	0.0	-73.45	426.82	-1.98	-75.43
CC(CCNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778262	0	55	0.0	-76.20	439.52	2.23	-73.97
CC(CCNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778262	1	55	0.0	-76.43	439.48	2.23	-74.20
CC(CCNC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778268	0	54	0.0	-73.59	429.23	1.55	-72.04
CC(CCNC(=O)C1=CC(C[NH+](C)C)=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778274	0	52	0.0	-80.39	438.35	0.75	-79.64
C=CCC(C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024778293	0	51	0.0	-70.25	415.65	0.95	-69.30
CC(CCNC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778302	0	54	0.0	-72.77	432.32	1.09	-71.68
CC(CCNC(=O)C1CC(C)(C)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778302	1	54	0.0	-73.11	431.85	1.19	-71.92
CC(CCNC(=O)CCCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778305	0	56	0.0	-76.86	458.84	2.40	-74.46
CC(CCNC(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778312	0	49	0.0	-74.34	407.33	1.35	-72.99
CC(CCNC(=O)C1C[N@@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778335	0	54	0.0	-82.15	424.96	-1.47	-83.62
CC(CCNC(=O)C1C[N@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778335	1	54	0.0	-82.34	424.97	-1.55	-83.89
CCCC(C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024778336	0	53	0.0	-71.64	423.89	1.25	-70.39
CC(CCNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778340	0	50	0.0	-79.24	399.21	0.67	-78.57
CC(CCNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778373	0	51	0.0	-70.96	413.94	1.06	-69.90
CC(CCNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778373	1	51	0.0	-71.40	404.61	0.88	-70.52
CC(CCNC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778404	0	52	0.0	-72.73	431.12	1.80	-70.93
CC(CCNC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778404	1	52	0.0	-70.55	431.11	1.80	-68.75
CC(CCNC(=O)CC1([NH+]2CCCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778412	0	55	0.0	-72.34	435.96	2.14	-70.20
CC(CCNC(=O)C1=CC=C(C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778449	1	51	0.0	-83.65	435.47	1.19	-82.46
CC(CCNC(=O)C=CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778463	0	52	0.0	-78.13	432.54	1.75	-76.38
CC(CCNC(=O)C1CC[NH+](C2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778481	0	55	0.0	-77.22	441.43	2.34	-74.88
CC(CCNC(=O)C1([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778498	0	48	0.0	-79.76	394.41	1.18	-78.58
CC(CCNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778500	0	51	0.0	-75.43	420.31	1.21	-74.22
CC(CCNC(=O)C1C[NH+]2CCN1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778532	0	51	0.0	-82.80	408.25	-2.06	-84.86
CC(CCNC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778540	0	49	0.0	-78.71	403.58	0.58	-78.13
CC(CCNC(=O)C12CC(C1)C[N@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778540	1	49	0.0	-78.82	404.02	0.67	-78.15
CC(CCNC(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778551	0	52	0.0	-72.15	418.70	1.58	-70.57
CC(CCNC(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778551	1	52	0.0	-71.34	416.15	1.38	-69.96
CC(CCNC(=O)C=C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778587	0	53	0.0	-68.94	428.12	1.86	-67.08
CC(CCNC(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778597	1	50	0.0	-72.39	411.09	1.44	-70.95
CC(CCNC(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778597	1	50	0.0	-70.34	411.07	1.36	-68.98
CC[NH+]1CCN(CC(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024778623	0	56	0.0	-73.30	448.73	-0.34	-73.64
CC(CCNC(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778637	0	50	0.0	-75.81	410.39	0.75	-75.06
CC(CCNC(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778698	0	54	0.0	-77.78	431.23	1.67	-76.11
CC(CCNC(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778698	1	54	0.0	-77.73	431.22	1.67	-76.06
CC(CCNC(=O)C(C)[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778712	0	51	0.0	-72.95	422.32	1.14	-71.81
CC(CCNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778714	1	48	0.0	-73.17	403.31	0.55	-72.62
CC(CCNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778714	1	48	0.0	-71.93	397.77	0.28	-71.65
CC(CCNC(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778717	0	51	0.0	-79.93	424.68	-1.52	-81.45
CC(CCNC(=O)C1C[N@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778741	1	52	0.0	-78.94	423.43	0.52	-78.42
CC(CCNC(=O)C1C[N@@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778741	1	52	0.0	-78.94	423.46	0.51	-78.43
CCC[N@@H+]1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778750	0	57	0.0	-70.52	453.27	2.46	-68.06
CCC[N@H+]1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778750	1	57	0.0	-70.62	453.27	2.47	-68.15
CC(CCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778806	0	51	0.0	-75.27	421.54	1.20	-74.07
CC(CCNC(=O)C(C)CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778813	0	53	0.0	-75.70	432.02	1.38	-74.32
C#CC[N@H+]1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778834	1	53	0.0	-71.24	439.26	2.26	-68.98
C#CC[N@@H+]1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778834	1	53	0.0	-71.34	439.27	2.25	-69.09
CC(CCNC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778837	1	53	0.0	-74.84	431.38	-1.01	-75.85
CC[NH+]1CCN(CC(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024778844	0	56	0.0	-73.30	448.73	-0.34	-73.64
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C	REAL300024779014	0	48	0.0	-66.06	398.46	0.47	-65.59
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300024779014	1	48	0.0	-66.40	392.05	0.04	-66.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CCO1	REAL300024779040	1	49	0.0	-80.92	409.35	-0.07	-80.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CCO1	REAL300024779040	1	49	0.0	-75.75	402.26	-0.24	-75.99
CC1=[NH+]C=CN1CCCC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024779197	1	52	0.0	-67.66	442.95	2.38	-65.28
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCOCC1	REAL300024779201	1	52	0.0	-73.08	427.24	-0.52	-73.60
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+]1CCC2	REAL300024779219	0	52	0.0	-68.15	416.71	1.47	-66.68
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024779227	1	46	0.0	-75.01	402.42	3.00	-72.01
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300024779273	0	57	0.0	-65.14	444.27	2.15	-62.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300024779275	0	51	0.0	-71.38	418.42	1.08	-70.30
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300024779275	1	51	0.0	-71.34	418.42	1.08	-70.26
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300024779285	0	50	0.0	-75.80	422.70	0.28	-75.52
CCC(C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024779289	0	50	0.0	-65.36	402.39	0.48	-64.88
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+](C)C	REAL300024779338	0	53	0.0	-72.79	437.34	1.61	-71.18
CC(C)C(C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024779356	0	53	0.0	-69.55	419.84	1.40	-68.15
CCC[N@H+](C)CCC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024779358	0	53	0.0	-71.45	433.57	1.43	-70.02
CCC[N@@H+](C)CCC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024779358	1	53	0.0	-71.27	433.57	1.44	-69.83
CCC[N@H+](C)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024779363	0	50	0.0	-68.81	411.20	0.90	-67.91
CCC[N@@H+](C)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024779363	1	50	0.0	-68.98	411.21	0.89	-68.09
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300024779383	0	52	0.0	-69.91	413.55	0.69	-69.22
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300024779383	1	52	0.0	-74.48	412.76	0.80	-73.68
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(C)CC1	REAL300024779432	0	54	0.0	-68.99	434.94	1.98	-67.01
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024779491	0	55	0.0	-66.92	439.54	2.24	-64.68
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024779491	1	55	0.0	-71.33	439.43	2.20	-69.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CC1	REAL300024779500	0	51	0.0	-73.53	423.67	1.23	-72.30
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C(C)C)CC1	REAL300024779509	0	57	0.0	-71.64	447.22	2.09	-69.55
CC[N@H+](C)CCC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024779525	0	50	0.0	-70.72	412.07	0.70	-70.02
CC[N@@H+](C)CCC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024779525	1	50	0.0	-70.57	412.07	0.70	-69.87
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300024779544	0	57	0.0	-67.39	439.97	2.39	-65.00
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+]2CCC1CC2	REAL300024779552	0	52	0.0	-76.40	413.35	1.28	-75.12
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024779611	0	51	0.0	-72.13	416.58	1.14	-70.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C(C)C)[NH+](C)C	REAL300024779629	0	53	0.0	-66.27	420.67	1.67	-64.60
CC[NH+](CC)CC(F)C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024779709	0	53	0.0	-72.07	433.90	1.38	-70.69
CC(C)C[N@@H+]1CCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024779735	0	57	0.0	-68.51	456.80	2.47	-66.04
CC(C)C[N@H+]1CCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024779735	1	57	0.0	-69.63	456.27	2.44	-67.19
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCC1	REAL300024779738	0	51	0.0	-69.01	405.87	0.59	-68.42
CCC(C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024779768	0	56	0.0	-63.69	438.14	1.79	-61.90
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300024779784	0	51	0.0	-65.56	410.67	0.86	-64.70
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1C	REAL300024779784	1	51	0.0	-65.82	410.65	0.87	-64.95
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCCCCC1	REAL300024779829	0	57	0.0	-65.26	443.07	2.26	-63.00
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C(C)C	REAL300024779831	0	57	0.0	-62.43	445.18	1.98	-60.45
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C(C)C	REAL300024779831	1	57	0.0	-62.37	445.07	2.00	-60.37
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C(C)C	REAL300024779849	0	54	0.0	-64.70	430.92	1.59	-63.11
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C(C)C	REAL300024779849	1	54	0.0	-64.32	430.93	1.58	-62.74
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCC[N@@H+]1C(C)C	REAL300024779855	0	57	0.0	-67.61	451.42	2.12	-65.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCC[N@H+]1C(C)C	REAL300024779855	1	57	0.0	-60.79	441.28	2.00	-58.79
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C(C)C)[NH+](C)C	REAL300024779865	0	53	0.0	-68.05	415.64	1.50	-66.55
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300024779883	0	51	0.0	-67.79	417.31	1.17	-66.62
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)C1	REAL300024779883	1	51	0.0	-68.11	418.23	1.14	-66.97
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024779887	0	54	0.0	-68.21	437.22	1.72	-66.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300024779887	1	54	0.0	-67.95	436.93	1.74	-66.21
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300024779888	0	56	0.0	-68.81	441.76	2.03	-66.78
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300024779888	1	56	0.0	-68.86	439.81	1.89	-66.97
CC[C@@H](C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024779896	0	50	0.0	-67.49	402.39	0.49	-67.00
CC1=[NH+]C=CN1CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024780055	1	46	0.0	-65.73	401.41	1.10	-64.63
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCCC1	REAL300024780069	0	57	0.0	-70.67	457.03	2.67	-68.00
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024780081	1	50	0.0	-77.73	431.10	0.51	-77.22
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024780107	1	52	0.0	-64.65	437.62	2.22	-62.43
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300024780133	0	55	0.0	-64.96	428.76	2.06	-62.90
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300024780133	1	55	0.0	-65.19	428.11	2.03	-63.16
CC[N@@H+]1CCOC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024780146	1	52	0.0	-79.20	427.17	0.58	-78.62
CC[N@H+]1CCOC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024780146	1	52	0.0	-66.87	420.05	0.41	-66.46
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024780184	0	46	0.0	-71.27	402.14	2.99	-68.28
CC1=C[NH+]=CN1CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024780188	1	46	0.0	-69.75	400.69	1.78	-67.97
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024780197	0	51	0.0	-73.65	408.61	0.46	-73.19
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024780197	1	51	0.0	-69.69	415.07	0.76	-68.93
CC[C@@H]1[C@@H](C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024780201	0	54	0.0	-71.66	428.68	1.18	-70.48
CC[C@@H]1[C@@H](C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024780201	1	54	0.0	-68.65	433.86	1.51	-67.14
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1C(C)CCC1C	REAL300024780211	0	54	0.0	-64.79	429.02	1.36	-63.43
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCC1	REAL300024780215	0	54	0.0	-70.45	441.81	2.01	-68.44
C#CC[NH+]1CCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024780220	0	53	0.0	-73.87	441.26	2.29	-71.58
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCC1	REAL300024780221	0	54	0.0	-70.13	435.53	1.88	-68.25
CC[N@@H+]1CCCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024780226	0	54	0.0	-66.16	422.32	1.55	-64.61
CC[N@H+]1CCCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024780226	1	54	0.0	-63.59	431.76	1.72	-61.87
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+](C)C)CCCC1	REAL300024780258	0	57	0.0	-71.43	435.81	1.90	-69.53
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCC1	REAL300024780369	0	51	0.0	-67.33	418.10	1.46	-65.87
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCC1	REAL300024780369	1	51	0.0	-66.58	418.20	1.47	-65.11
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1C(C)CCC1C	REAL300024780386	0	57	0.0	-62.93	441.33	1.96	-60.97
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+]1CCCC1	REAL300024780397	0	57	0.0	-71.45	463.30	2.79	-68.66
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024780406	0	51	0.0	-72.13	416.58	1.14	-70.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024780440	0	48	0.0	-66.74	398.31	0.55	-66.19
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300024780440	1	48	0.0	-66.43	391.95	0.03	-66.40
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024780459	1	50	0.0	-67.45	418.58	1.26	-66.19
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024780459	1	50	0.0	-66.91	424.51	1.75	-65.16
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@@H+]1C	REAL300024780464	0	54	0.0	-70.15	433.92	1.50	-68.65
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@H+]1C	REAL300024780464	1	54	0.0	-72.92	439.36	1.97	-70.95
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300024780471	0	55	0.0	-70.32	429.36	1.68	-68.64
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300024780474	0	55	0.0	-64.16	439.86	2.43	-61.73
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300024780474	1	55	0.0	-64.19	439.49	2.37	-61.82
CCC[N@@H+]1CCCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024780533	0	57	0.0	-62.74	449.45	2.70	-60.04
CCC[N@H+]1CCCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024780533	1	57	0.0	-68.82	455.72	2.50	-66.32
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024780566	0	51	0.0	-64.58	413.94	1.08	-63.50
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024780566	1	51	0.0	-67.62	404.63	0.90	-66.72
CC(C)C[N@@H+]1CCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024780584	0	57	0.0	-65.83	456.77	2.66	-63.17
CC(C)C[N@H+]1CCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024780584	1	57	0.0	-65.43	456.86	2.64	-62.79
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300024780635	0	51	0.0	-70.74	412.14	0.60	-70.14
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300024780635	1	51	0.0	-72.84	415.07	0.75	-72.09
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@@H+]1C	REAL300024780637	0	57	0.0	-68.64	453.37	2.40	-66.24
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@H+]1C	REAL300024780637	1	57	0.0	-68.86	453.05	2.39	-66.47
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024780714	0	54	0.0	-66.02	433.49	1.22	-64.80
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300024780714	1	54	0.0	-65.35	415.88	1.05	-64.30
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024780732	0	47	0.0	-68.35	389.87	-0.10	-68.45
C=CCC(C)(C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024780746	0	54	0.0	-67.81	423.70	1.29	-66.52
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300024780766	0	51	0.0	-70.11	420.31	1.21	-68.90
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCO	REAL300024780776	1	48	0.0	-69.99	400.06	-3.09	-73.08
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCO	REAL300024780776	1	48	0.0	-68.82	399.84	-3.10	-71.92
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024780805	0	54	0.0	-71.95	416.74	-1.43	-73.38
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CCC2	REAL300024780805	1	54	0.0	-73.91	418.86	-0.73	-74.64
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300024780849	0	52	0.0	-69.85	431.12	1.80	-68.05
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300024780849	1	52	0.0	-68.69	431.11	1.80	-66.89
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)CC[S+](C)C	REAL300024780863	0	50	0.0	-70.22	436.83	-0.86	-71.08
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024780881	0	52	0.0	-74.85	419.61	-2.24	-77.09
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300024780881	1	52	0.0	-68.32	415.54	-2.39	-70.71
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300024780890	0	56	0.0	-67.30	443.86	-0.35	-67.65
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024780890	1	56	0.0	-66.87	442.92	-0.75	-67.62
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)C1	REAL300024780918	1	48	0.0	-68.93	403.25	0.58	-68.35
CC[N@@H+]1CCCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024780924	0	54	0.0	-68.77	434.21	1.75	-67.02
CC[N@H+]1CCCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024780924	1	54	0.0	-62.57	427.96	1.96	-60.61
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300024780939	0	52	0.0	-64.14	429.41	2.01	-62.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300024780939	1	52	0.0	-64.34	424.33	1.87	-62.47
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+]1CCCC1	REAL300024780974	0	52	0.0	-73.25	432.54	1.76	-71.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300024780992	0	55	0.0	-69.54	445.83	2.55	-66.99
CC[N@H+](C)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024781029	0	47	0.0	-68.59	389.71	0.15	-68.44
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC2C=CC1C2	REAL300024781072	0	50	0.0	-65.15	411.11	1.36	-63.79
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024781072	1	50	0.0	-66.95	411.11	1.44	-65.51
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300024781072	1	50	0.0	-66.95	411.11	1.44	-65.51
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300024781172	0	55	0.0	-63.75	424.39	2.04	-61.71
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CCCC2	REAL300024781172	1	55	0.0	-63.63	425.66	2.09	-61.54
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024781178	0	53	0.0	-63.63	417.25	2.14	-61.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300024781178	1	53	0.0	-64.92	416.46	2.04	-62.88
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)OCC[NH+](C)C	REAL300024781187	0	54	0.0	-71.06	447.63	1.22	-69.84
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCOCC[NH+](C)C	REAL300024781195	0	54	0.0	-70.06	448.80	0.28	-69.78
COCC[N@H+](C)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024781197	1	51	0.0	-68.47	422.09	-0.69	-69.16
COCC[N@@H+](C)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024781197	1	51	0.0	-70.17	422.31	-0.68	-70.85
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+](C2CCOC2)C1	REAL300024781198	0	53	0.0	-74.46	438.68	-0.16	-74.62
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC(C)[NH+](C)C	REAL300024781202	0	53	0.0	-69.72	429.26	1.20	-68.52
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[NH+](C)CC1	REAL300024781215	0	52	0.0	-72.27	425.52	1.76	-70.51
CC[N@H+](CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024781222	0	51	0.0	-65.31	417.22	1.29	-64.02
CC[N@@H+](CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024781222	1	51	0.0	-67.06	413.38	1.39	-65.67
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300024781235	0	54	0.0	-71.85	424.95	-1.55	-73.40
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300024781235	1	54	0.0	-69.76	409.98	-1.28	-71.04
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024781255	0	49	0.0	-70.33	401.63	0.85	-69.48
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@H+]2C	REAL300024781255	1	49	0.0	-72.14	404.23	0.63	-71.51
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300024781268	0	52	0.0	-66.88	415.87	1.38	-65.50
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2CCC1C2	REAL300024781268	1	52	0.0	-66.86	419.00	1.58	-65.28
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)C[NH+](C)C	REAL300024781287	0	50	0.0	-70.94	410.38	0.74	-70.20
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CC1	REAL300024781300	0	48	0.0	-73.49	395.70	0.49	-73.00
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)[NH+](C)C	REAL300024781323	0	47	0.0	-68.41	390.15	-0.12	-68.53
CC[N@@H+]1CCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024781329	1	48	0.0	-68.20	403.63	0.44	-67.76
CC[N@H+]1CCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024781329	1	48	0.0	-66.24	396.55	0.12	-66.12
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300024781339	0	57	0.0	-67.22	450.87	2.27	-64.95
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300024781339	1	57	0.0	-61.63	444.61	2.48	-59.15
CCC(C)(C)[NH2+]C(C)C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024781349	0	56	0.0	-68.04	434.99	0.02	-68.02
C#CC[N@H+]1CCCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024781386	1	53	0.0	-66.85	439.27	2.28	-64.57
C#CC[N@@H+]1CCCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024781386	1	53	0.0	-66.89	439.27	2.27	-64.62
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[NH+]=CC=C1N	REAL300024781388	0	44	0.0	-70.67	380.09	-2.02	-72.69
CCCC(C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024781397	0	53	0.0	-66.10	423.88	1.26	-64.84
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+](C)C	REAL300024781404	0	50	0.0	-72.65	399.44	0.63	-72.02
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)CC[NH+](C)C	REAL300024781422	0	53	0.0	-71.58	432.02	1.37	-70.21
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024781474	0	53	0.0	-68.52	429.47	2.03	-66.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024781474	1	53	0.0	-66.38	422.10	2.25	-64.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024781501	0	54	0.0	-67.48	437.68	1.71	-65.77
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300024781501	1	54	0.0	-65.81	431.87	1.19	-64.62
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCCC[NH+](C)C	REAL300024781504	0	56	0.0	-72.74	458.84	2.39	-70.35
CCC[N@@H+]1CCCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024781510	0	57	0.0	-66.46	443.84	2.29	-64.17
CCC[N@H+]1CCCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024781510	1	57	0.0	-66.44	443.83	2.29	-64.15
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC[NH+](C)CC1	REAL300024781519	1	53	0.0	-71.89	431.38	-1.00	-72.89
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CC(C)O1	REAL300024781595	1	52	0.0	-67.66	423.46	0.49	-67.17
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300024781595	1	52	0.0	-80.57	423.81	0.64	-79.93
CCC1CCC[N@H+](CC(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024781622	0	57	0.0	-68.84	452.96	2.60	-66.24
CCC1CCC[N@@H+](CC(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024781622	1	57	0.0	-68.92	445.93	2.56	-66.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024781630	0	52	0.0	-80.39	438.82	0.65	-79.74
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC2CC2C1	REAL300024781642	0	49	0.0	-68.84	407.32	1.36	-67.48
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+]2CCCC2)CC1	REAL300024781653	0	55	0.0	-66.84	435.96	2.15	-64.69
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024781684	0	51	0.0	-64.58	413.94	1.08	-63.50
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024781684	1	51	0.0	-67.62	404.63	0.90	-66.72
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@H+](C)C1	REAL300024781779	0	49	0.0	-73.10	410.83	1.02	-72.08
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300024781779	1	49	0.0	-73.56	409.87	1.05	-72.51
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CNC1=CC=[NH+]C=C1	REAL300024781784	0	47	0.0	-69.78	407.69	-1.25	-71.03
CC(CCNC(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300024781824	0	38	0.0	-25.62	348.94	-4.92	-30.54
CC[NH+]1CCN(CC(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024781831	0	56	0.0	-70.10	448.73	-0.33	-70.43
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1C[NH+]2CCC1CC2	REAL300024781834	0	53	0.0	-67.39	428.11	1.87	-65.52
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCCC1	REAL300024781864	0	54	0.0	-73.23	424.15	1.98	-71.25
CCC1C[NH+](CC(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024781874	1	51	0.0	-69.57	424.64	1.34	-68.23
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+]2CCCC2)CCC1	REAL300024781877	0	55	0.0	-63.63	434.06	2.19	-61.44
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024781888	0	48	0.0	-69.48	392.00	0.04	-69.44
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024781888	1	48	0.0	-65.42	397.68	0.43	-64.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024782009	0	51	0.0	-68.36	421.52	1.21	-67.15
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC([NH+](C)C)CC1	REAL300024782020	0	57	0.0	-73.10	450.79	2.30	-70.80
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300024782021	0	54	0.0	-75.68	447.33	1.99	-73.69
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024782022	0	57	0.0	-62.44	444.28	2.16	-60.28
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@@H+]1C	REAL300024782023	0	52	0.0	-72.64	423.20	1.54	-71.10
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@H+]1C	REAL300024782023	1	52	0.0	-72.64	423.20	1.54	-71.10
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCC[NH+](C)C	REAL300024782073	0	51	0.0	-71.36	427.85	0.54	-70.82
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=CSC1=[NH2+]	REAL300024782110	0	44	0.0	-64.64	399.05	-0.34	-64.98
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300024782174	0	54	0.0	-67.50	447.64	1.21	-66.29
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCCC1	REAL300024782204	0	57	0.0	-72.13	445.99	2.10	-70.03
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C)C1	REAL300024782209	0	51	0.0	-64.71	410.31	1.31	-63.40
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C)C1	REAL300024782209	1	51	0.0	-64.71	410.31	1.31	-63.40
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCCC1	REAL300024782210	0	54	0.0	-68.68	423.06	1.53	-67.15
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N+]1=CN(C)C=C1	REAL300024782215	0	46	0.0	-67.90	403.21	2.99	-64.91
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(CN(C)C)O1	REAL300024782230	0	51	0.0	-77.65	436.56	1.29	-76.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024782230	1	51	0.0	-77.65	436.56	1.29	-76.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC(O)CC1	REAL300024782245	0	52	0.0	-72.87	424.79	-2.00	-74.87
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(O)CC1	REAL300024782245	1	52	0.0	-72.87	424.79	-2.00	-74.87
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CC1	REAL300024782249	0	48	0.0	-66.93	401.38	0.89	-66.04
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)N1CCN(C)CC1	REAL300024782251	0	56	0.0	-70.70	445.24	-0.68	-71.38
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)N1CC[NH+](C)CC1	REAL300024782251	1	56	0.0	-70.70	445.24	-0.68	-71.38
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+]1CCC(F)C1	REAL300024782253	0	51	0.0	-75.31	426.18	1.29	-74.02
CC(CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024782275	0	53	0.0	-71.96	429.17	1.48	-70.48
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]2CCOCC12	REAL300024782287	0	53	0.0	-66.66	427.12	-0.22	-66.88
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]2CCOCC12	REAL300024782287	1	53	0.0	-66.66	427.12	-0.22	-66.88
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCCN1C	REAL300024782303	0	52	0.0	-67.83	415.10	-0.85	-68.68
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@@H+]1C	REAL300024782303	1	52	0.0	-67.82	415.10	-0.85	-68.67
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@H+]1C	REAL300024782303	1	52	0.0	-67.82	415.10	-0.85	-68.67
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024782394	0	52	0.0	-67.91	427.98	-2.10	-70.01
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300024782424	0	48	0.0	-71.28	403.42	0.30	-70.98
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300024782428	0	55	0.0	-67.55	437.22	1.92	-65.63
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C1CCCC1	REAL300024782428	1	55	0.0	-67.55	437.22	1.92	-65.63
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)CCO	REAL300024782460	0	51	0.0	-70.64	422.38	-2.54	-73.18
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)CCO	REAL300024782460	1	51	0.0	-70.64	422.38	-2.54	-73.18
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@@H+]1C	REAL300024782478	0	54	0.0	-71.67	431.23	1.67	-70.00
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@H+]1C	REAL300024782478	1	54	0.0	-71.67	431.23	1.67	-70.00
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC1C	REAL300024782497	0	48	0.0	-67.99	403.24	0.60	-67.39
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC1C	REAL300024782497	1	48	0.0	-66.88	397.75	0.29	-66.59
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC1C	REAL300024782497	1	48	0.0	-66.88	397.75	0.29	-66.59
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300024782508	0	48	0.0	-73.19	407.94	0.70	-72.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC(C)(C)C1	REAL300024782518	0	51	0.0	-69.14	422.39	1.05	-68.09
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)(C)C1	REAL300024782518	1	51	0.0	-69.14	422.39	1.05	-68.09
CC1=C(C)NC(CCC(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024782531	0	52	0.0	-65.10	442.21	0.76	-64.34
CC1=C(C)[NH+]=C(CCC(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024782531	1	52	0.0	-65.10	442.21	0.76	-64.34
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSCC[NH+](C)C	REAL300024782548	0	51	0.0	-75.90	438.87	1.41	-74.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1CO	REAL300024782570	0	52	0.0	-67.48	426.11	-2.05	-69.53
CC[NH+](CC)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024782574	0	50	0.0	-67.12	403.57	0.57	-66.55
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC1	REAL300024782584	0	45	0.0	-68.93	382.08	-0.10	-69.03
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC1	REAL300024782584	1	45	0.0	-68.93	382.08	-0.10	-69.03
CC[NH+](CC)CCC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024782622	0	53	0.0	-70.20	425.58	1.12	-69.08
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024782676	0	52	0.0	-74.15	438.36	0.81	-73.34
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300024782696	0	53	0.0	-68.03	430.38	-0.18	-68.21
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@H+]2C1	REAL300024782696	1	53	0.0	-68.03	430.38	-0.18	-68.21
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)N1CCC1	REAL300024782706	0	48	0.0	-68.35	401.98	0.41	-67.94
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCC1	REAL300024782706	1	48	0.0	-68.35	401.98	0.41	-67.94
CCC(CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024782711	0	56	0.0	-67.28	447.21	2.10	-65.18
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C[NH+](C)C	REAL300024782719	0	53	0.0	-67.76	419.51	1.18	-66.58
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024782769	0	51	0.0	-67.65	404.63	0.90	-66.75
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300024782781	0	54	0.0	-75.45	424.75	-1.54	-76.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC(O)C[NH+](C)C	REAL300024782801	0	51	0.0	-74.63	424.57	-1.50	-76.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300024782803	0	55	0.0	-69.03	410.13	1.76	-67.27
C=CCC(C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024782831	0	51	0.0	-64.71	415.65	0.96	-63.75
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024782837	0	55	0.0	-71.33	439.43	2.20	-69.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024782837	1	55	0.0	-71.33	439.43	2.20	-69.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300024782848	0	54	0.0	-64.84	429.23	1.55	-63.29
CC(CCNC(=O)CSC(N)=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024782873	0	42	0.0	-77.18	380.50	-3.65	-80.83
CC(CCNC(=O)C1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024782909	0	57	0.0	-80.67	450.80	2.31	-78.36
CC(CCNC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024782910	0	54	0.0	-78.30	447.72	2.02	-76.28
CC(CCNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024782911	0	57	0.0	-69.82	444.27	2.18	-67.64
CC(CCNC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024782912	0	52	0.0	-78.62	423.22	1.53	-77.09
CC(CCNC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024782912	1	52	0.0	-78.14	423.19	1.53	-76.61
CC(CCNC(=O)[C@@H](C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024782933	0	54	0.0	-71.95	447.63	1.23	-70.72
CC(CCNC(=O)C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024782956	0	55	0.0	-74.31	414.90	2.03	-72.28
CCC1C[NH+](CC(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024783046	1	51	0.0	-74.97	424.64	1.33	-73.64
CC(CCNC(=O)C1([NH+]2CCCC2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783048	0	55	0.0	-76.80	431.99	2.18	-74.62
CC(CCNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783055	0	48	0.0	-73.35	391.95	0.03	-73.32
CC(CCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783055	1	48	0.0	-70.88	398.28	0.55	-70.33
CC(CCNC(=O)CC[N@@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783062	0	51	0.0	-80.26	426.02	1.22	-79.04
CC(CCNC(=O)CC[N@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783062	1	51	0.0	-77.93	426.58	1.29	-76.64
CC(CCNC(=O)CC[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783076	0	57	0.0	-77.65	446.00	2.10	-75.55
CC(CCNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783078	0	51	0.0	-74.01	414.08	1.36	-72.65
CC(CCNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783086	0	51	0.0	-75.50	414.20	0.91	-74.59
CC(CCNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783086	1	51	0.0	-75.35	418.45	0.88	-74.47
CC(CCNC(=O)CCC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783088	0	57	0.0	-73.37	453.01	2.39	-70.98
CC(CCNC(=O)CCC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783088	1	57	0.0	-73.39	453.34	2.40	-70.99
CC(CCNC(=O)C1CC[N@@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783109	0	53	0.0	-71.33	427.07	-0.21	-71.54
CC(CCNC(=O)C1CC[N@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783109	1	53	0.0	-71.29	427.20	-0.20	-71.49
CC(CCNC(=O)CC1COCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783125	1	52	0.0	-70.26	415.11	-0.85	-71.11
CC(CCNC(=O)CC1COCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783125	1	52	0.0	-69.73	415.10	-0.85	-70.58
CC1=C(C)[NH+]=C(CCC(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024783132	1	52	0.0	-70.17	442.22	0.76	-69.41
CCOCC(N=[N+]=[N-])C(=O)NCCC(C)NC(=O)CSC1=NC(=O)NN1	REAL300024783136	0	48	0.0	-25.62	425.15	-4.24	-29.86
CC(CCNC(=O)CSCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783200	0	51	0.0	-81.20	438.87	1.41	-79.79
CC(CCNC(=O)C1CC2COCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783206	0	53	0.0	-76.68	430.65	-0.16	-76.84
CC(CCNC(=O)C1CC2COCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783206	1	53	0.0	-76.70	430.71	-0.20	-76.90
C[N@@H+]1CCCC1C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783307	0	55	0.0	-72.14	434.01	2.84	-69.30
C[N@H+]1CCCC1C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783307	1	55	0.0	-74.42	433.45	2.85	-71.57
CCC(C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024783407	0	57	0.0	-70.22	444.07	3.32	-66.90
CCC[N@H+](C)CC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783412	0	57	0.0	-73.91	453.21	3.70	-70.21
CCC[N@@H+](C)CC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783412	1	57	0.0	-73.85	453.22	3.70	-70.15
C[N@@H+]1CCC[C@@H]1C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783420	0	55	0.0	-72.21	434.00	2.83	-69.38
C[N@H+]1CCC[C@@H]1C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783420	1	55	0.0	-71.01	438.95	3.37	-67.64
CC[NH+](CC)CC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783425	0	57	0.0	-72.15	444.92	3.36	-68.79
CC[N@H+](C)CCC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783481	0	57	0.0	-76.29	454.08	3.51	-72.78
CC[N@@H+](C)CCC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783481	1	57	0.0	-76.40	454.08	3.52	-72.88
CC[C@@H](C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024783484	0	57	0.0	-69.88	444.12	3.35	-66.53
C[NH+](C)CC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783502	0	51	0.0	-74.21	413.99	2.30	-71.91
CC(C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024783506	1	55	0.0	-72.98	444.12	3.26	-69.72
C[N@H+](CC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024783512	0	55	0.0	-70.83	443.25	3.70	-67.13
C[N@@H+](CC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024783512	1	55	0.0	-70.64	443.25	3.70	-66.94
C[NH+]1CC(CC(=O)NCCCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024783518	0	55	0.0	-75.41	445.43	3.12	-72.29
C[C@@H](C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024783525	0	54	0.0	-72.07	431.77	2.69	-69.38
[N-]=[N+]=NCC(=O)NCCCC1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300024783528	0	45	0.0	-25.37	390.95	-2.11	-27.48
C[C@@H](C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024783546	0	54	0.0	-72.07	431.77	2.69	-69.38
O=C(C[NH+]1CCC1)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783564	1	52	0.0	-74.33	424.09	2.72	-71.61
C[C@H](C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024783575	0	54	0.0	-72.93	431.99	2.70	-70.23
CC1C[NH+](CC(=O)NCCCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024783581	1	55	0.0	-74.10	445.26	3.39	-70.71
CC[N@H+](C)CC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783598	0	54	0.0	-73.57	431.71	2.97	-70.60
CC[N@@H+](C)CC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783598	1	54	0.0	-73.49	431.71	2.96	-70.53
C[NH+](C)CC=CC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783614	0	55	0.0	-79.44	449.95	3.51	-75.93
CC[N@@H+]1CCC1C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783620	1	55	0.0	-71.98	438.46	3.01	-68.97
CC[N@H+]1CCC1C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783620	1	55	0.0	-72.96	444.81	3.33	-69.63
C[NH+](C)C(C)(C)C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783633	0	57	0.0	-77.81	441.69	3.26	-74.55
C[NH+](C)C1(C(=O)NCCCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024783655	0	55	0.0	-79.83	437.01	3.45	-76.38
CC(C[NH+](C)C)C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783677	0	57	0.0	-76.30	452.39	3.58	-72.72
CC1CC[N@@H+]1CC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783686	1	55	0.0	-71.42	438.96	3.12	-68.30
CC1CC[N@H+]1CC(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024783686	1	55	0.0	-72.80	444.51	3.39	-69.41
C[N@@H+]1CCCC1C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024783795	0	55	0.0	-71.75	432.51	2.74	-69.01
C[N@H+]1CCCC1C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024783795	1	55	0.0	-69.32	434.05	2.99	-66.33
CCC(C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024783866	0	57	0.0	-68.97	439.94	3.17	-65.80
CCC[N@H+](C)CC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024783869	0	57	0.0	-71.83	452.43	3.66	-68.17
CCC[N@@H+](C)CC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024783869	1	57	0.0	-71.66	452.91	3.64	-68.02
CC[N@H+](C)CCC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024783885	0	57	0.0	-74.14	454.08	3.48	-70.66
CC[N@@H+](C)CCC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024783885	1	57	0.0	-74.16	454.08	3.49	-70.67
CC[C@@H](C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024783910	0	57	0.0	-68.85	440.35	3.11	-65.74
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024783947	0	55	0.0	-70.56	431.76	2.73	-67.83
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024783947	1	55	0.0	-69.32	434.00	2.99	-66.33
C[C@@H](C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024783991	0	54	0.0	-70.64	429.34	2.61	-68.03
CC1C[NH+](CC(=O)N2CCCC2CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024784015	1	55	0.0	-72.10	444.46	3.36	-68.74
CC[N@H+](C)CC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024784031	0	54	0.0	-71.38	431.41	2.90	-68.48
CC[N@@H+](C)CC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024784031	1	54	0.0	-71.36	431.70	2.91	-68.45
CC(C[NH+](C)C)C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024784056	0	57	0.0	-74.43	447.21	3.22	-71.21
C[C@H](C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024784060	0	54	0.0	-67.85	421.06	2.29	-65.56
CC[N@@H+]1CCC1C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024784063	0	55	0.0	-71.73	444.44	3.17	-68.56
CC[N@H+]1CCC1C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024784063	1	55	0.0	-71.40	445.31	3.24	-68.16
[N-]=[N+]=NCC(=O)N1CCCC1CCCNC(=O)CSC1=NC(=O)NN1	REAL300024784110	0	45	0.0	-24.96	390.16	-2.16	-27.12
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024784119	0	55	0.0	-68.41	434.49	3.03	-65.38
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024784119	1	55	0.0	-70.18	432.62	2.72	-67.46
C[N@H+](CC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024784149	0	55	0.0	-68.92	442.45	3.66	-65.26
C[N@@H+](CC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024784149	1	55	0.0	-69.19	443.39	3.66	-65.53
C[NH+]1CC(CC(=O)N2CCCC2CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024784173	0	55	0.0	-73.92	444.63	3.09	-70.83
C[NH+](C)CC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024784176	0	51	0.0	-72.22	413.19	2.24	-69.98
C[C@@H](C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024784179	0	54	0.0	-70.64	429.34	2.61	-68.03
CC1CC[N@@H+]1CC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024784184	0	55	0.0	-69.81	439.29	3.07	-66.74
CC1CC[N@H+]1CC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024784184	1	55	0.0	-69.67	439.70	3.06	-66.61
C[NH+](C)CC=CC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024784185	0	55	0.0	-77.29	447.97	3.44	-73.85
CC[NH+](CC)CC(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024784191	0	57	0.0	-69.97	449.25	3.58	-66.39
O=C(CSC1=NNC(=O)[N-]1)NCCCC1CCCN1C(=O)C[NH+]1CCC1	REAL300024784192	1	52	0.0	-72.24	423.50	2.73	-69.51
CC(C(=O)N1CCCC1CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024784209	0	55	0.0	-70.07	436.99	3.00	-67.07
C[N@@H+]1CCC[C@H]1C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024784268	0	55	0.0	-69.77	438.88	3.28	-66.49
C[N@H+]1CCC[C@H]1C(=O)NCCCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024784268	1	55	0.0	-74.04	434.00	2.84	-71.20
CN(CCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784448	0	45	0.0	-69.82	368.85	0.43	-69.39
CN(CCNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784448	1	45	0.0	-72.88	368.50	0.41	-72.47
CN(CCNC(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784472	1	46	0.0	-85.71	385.93	0.31	-85.40
CN(CCNC(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784472	1	46	0.0	-85.51	386.22	0.33	-85.18
CC(C)C1=[NH+]C=CN1CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784647	1	52	0.0	-67.89	434.23	3.03	-64.86
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300024784654	0	54	0.0	-68.44	419.64	2.64	-65.80
CC(C)[N@@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784656	0	54	0.0	-66.97	421.91	2.37	-64.60
CC(C)[N@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784656	1	54	0.0	-67.11	421.61	2.35	-64.76
CC(C)[N@@H+]1CCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784682	0	51	0.0	-67.27	410.64	2.09	-65.18
CC(C)[N@H+]1CCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784682	1	51	0.0	-68.77	400.98	2.13	-66.64
CN(CCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784706	0	52	0.0	-73.99	415.96	2.54	-71.45
CN(CCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784706	1	52	0.0	-71.96	416.05	2.61	-69.35
CC(C)C1=[NH+]C=CN1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784733	1	49	0.0	-68.06	414.19	2.58	-65.48
CC1=[NH+]C=CN1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784780	1	43	0.0	-69.58	378.25	1.49	-68.09
CC(C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784782	0	52	0.0	-75.21	420.13	0.61	-74.60
CN(CCNC(=O)CCC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784801	0	54	0.0	-74.61	433.60	3.05	-71.56
CN(CCNC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784824	0	54	0.0	-72.40	417.92	2.83	-69.57
CN(CCNC(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784838	0	49	0.0	-80.79	390.18	1.67	-79.12
CN(CCNC(=O)C1CCCC2CCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784888	0	52	0.0	-65.11	413.45	2.71	-62.40
CN(CCNC(=O)C1CCCC2CCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784888	1	52	0.0	-65.83	413.33	2.70	-63.13
CN(CCNC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784890	0	51	0.0	-82.17	432.86	1.36	-80.81
CN(CCNC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784900	0	51	0.0	-87.18	433.23	1.37	-85.81
C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024784906	0	48	0.0	-76.00	385.14	0.83	-75.17
C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024784906	1	48	0.0	-72.59	390.89	1.37	-71.22
CCC1=[NH+]C=CN1C(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784909	1	52	0.0	-68.20	434.50	3.06	-65.14
CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024784912	0	51	0.0	-75.34	406.24	1.57	-73.77
CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024784912	1	51	0.0	-73.17	409.83	2.09	-71.08
CC[N@@H+]1CCOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024784935	1	49	0.0	-71.30	396.59	0.80	-70.50
CC[N@H+]1CCOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024784935	1	49	0.0	-80.85	403.71	0.95	-79.90
CC[NH+](CC)CC(F)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784987	0	50	0.0	-71.63	408.09	1.61	-70.02
CN(CCNC(=O)C1=C(C[NH+](C)C)C=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784988	0	48	0.0	-61.82	413.94	2.50	-59.32
CC1CCC(C)[NH+]1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785079	0	51	0.0	-68.27	405.58	1.74	-66.53
CN(CCNC(=O)CCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785085	0	51	0.0	-74.37	418.38	2.39	-71.98
CN(CCNC(=O)C1=CC(C[NH+](C)C)=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785086	0	51	0.0	-77.31	426.71	3.34	-73.97
C#CC[NH+]1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024785092	0	50	0.0	-78.45	418.32	2.73	-75.72
CN(CCNC(=O)CC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785093	0	51	0.0	-73.89	412.10	2.26	-71.63
CN(CCNC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785097	0	51	0.0	-60.63	419.63	3.61	-57.02
CC[N@@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785103	0	51	0.0	-69.40	398.91	1.95	-67.45
CC[N@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785103	1	51	0.0	-69.38	399.16	1.96	-67.42
CC(C)C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024785104	0	57	0.0	-67.67	434.19	3.84	-63.83
CN(CCNC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785107	1	51	0.0	-71.62	423.24	3.35	-68.27
CC(C)C[N@@H+]1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024785127	0	54	0.0	-73.40	433.92	2.84	-70.56
CC(C)C[N@H+]1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024785127	1	54	0.0	-73.50	433.52	2.79	-70.71
CN(CCNC(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785131	0	48	0.0	-77.24	379.39	1.40	-75.84
CN(CCNC(=O)C(CN1C=CC=N1)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785132	1	51	0.0	-65.93	417.72	1.45	-64.48
CC(C)[N@@H+]1CCCC1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785137	0	54	0.0	-63.16	418.03	2.41	-60.75
CC(C)[N@H+]1CCCC1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785137	1	54	0.0	-71.45	428.15	2.50	-68.95
CN(CCNC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785138	0	55	0.0	-72.30	424.81	3.23	-69.07
CN(CCNC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785138	1	55	0.0	-70.18	434.79	3.26	-66.92
CC(C)[C@@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024785154	0	50	0.0	-69.23	398.11	2.12	-67.11
CN(CCNC(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785208	0	48	0.0	-70.08	394.66	1.83	-68.25
CN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785208	1	48	0.0	-70.08	395.03	1.86	-68.22
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300024785281	0	54	0.0	-66.01	418.17	2.36	-63.65
CN(CCNC(=O)CCN(C)C1=CC=[NH+]C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785342	0	50	0.0	-70.35	423.28	1.53	-68.82
C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785350	1	47	0.0	-70.82	395.48	1.66	-69.16
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785350	1	47	0.0	-69.21	401.35	2.16	-67.05
CN(CCNC(=O)CCC1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785357	0	51	0.0	-72.53	410.77	1.90	-70.63
CN(CCNC(=O)CCC1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785357	1	51	0.0	-75.59	416.20	2.37	-73.22
CN(CCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785369	0	52	0.0	-73.67	405.93	2.06	-71.61
CN(CCNC(=O)C1CCC2CCCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785376	0	52	0.0	-69.91	410.54	2.37	-67.54
CN(CCNC(=O)C1CCC2CCCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785376	1	52	0.0	-67.91	409.61	2.34	-65.57
CN(CCNC(=O)CCCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785401	0	54	0.0	-75.13	439.87	3.17	-71.96
CN(CCNC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785403	1	51	0.0	-76.53	425.52	3.46	-73.07
CN(CCNC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785403	1	51	0.0	-76.83	425.20	3.45	-73.38
CN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785417	0	48	0.0	-78.64	393.40	1.54	-77.10
CN(CCNC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785467	1	47	0.0	-81.59	406.65	0.83	-80.76
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=CC2=C[NH+]=CN21	REAL300024785468	0	46	0.0	-74.36	401.14	3.62	-70.74
CN(CCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785503	0	48	0.0	-70.79	381.49	1.29	-69.50
CN(CCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785503	1	48	0.0	-70.73	381.46	1.29	-69.44
CC(C)C[N@@H+]1CCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785528	0	54	0.0	-69.23	427.47	2.51	-66.72
CC(C)C[N@H+]1CCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785528	1	54	0.0	-69.46	433.18	3.07	-66.39
CN(CCNC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785648	0	43	0.0	-74.36	378.71	3.35	-71.01
CC1=[NH+]C=CN1CCCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785658	1	49	0.0	-71.77	419.79	2.78	-68.99
CN(CCNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785666	0	51	0.0	-83.74	426.74	3.35	-80.39
CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785667	1	49	0.0	-76.90	404.08	-0.12	-77.02
CC1=C[NH+]=CN1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785703	1	43	0.0	-71.25	377.26	2.16	-69.09
CN(CCNC(=O)CN1C=[NH+]C2=C1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785710	1	50	0.0	-70.19	420.41	3.95	-66.24
CN(CCNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785748	0	57	0.0	-78.99	437.02	3.23	-75.76
CN(CCNC(=O)CC[N@H+](C)C1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785754	0	57	0.0	-75.68	446.96	3.46	-72.22
CN(CCNC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785754	1	57	0.0	-75.31	446.95	3.44	-71.87
CN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785756	0	49	0.0	-75.09	393.47	1.87	-73.22
CN(CCNC(=O)C1CCCC([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785793	0	54	0.0	-68.18	420.86	2.53	-65.65
CN(CCNC(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785796	0	48	0.0	-76.92	395.14	1.47	-75.45
CN(CCNC(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785796	1	48	0.0	-75.85	395.36	1.47	-74.38
CN(C)C1=CC=[NH+]C=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785808	0	47	0.0	-80.95	399.57	0.68	-80.27
CCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024785813	0	47	0.0	-68.23	379.47	0.87	-67.36
CN(CCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785830	0	54	0.0	-76.47	412.38	2.28	-74.19
CN(CCNC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785879	1	43	0.0	-79.42	378.99	3.37	-76.05
CN(CCNC(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785943	0	50	0.0	-76.48	414.18	2.01	-74.47
CC(C)C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024785963	0	50	0.0	-71.84	397.87	2.13	-69.71
CCC[N@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785965	0	50	0.0	-75.24	410.14	1.81	-73.43
CCC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785965	1	50	0.0	-75.23	410.41	1.83	-73.40
CCC[N@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785971	0	47	0.0	-72.23	388.04	1.29	-70.94
CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785971	1	47	0.0	-72.19	387.78	1.26	-70.93
CN(CCNC(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785998	0	49	0.0	-77.43	390.48	1.09	-76.34
CN(CCNC(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785998	1	49	0.0	-80.64	390.48	1.09	-79.55
CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786045	0	45	0.0	-69.58	374.89	0.93	-68.65
CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786045	1	45	0.0	-69.81	368.84	0.43	-69.38
CC1CC2CCC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C[N@@H+]2C1	REAL300024786069	0	55	0.0	-66.58	430.78	3.40	-63.18
CC1CC2CCC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C[N@H+]2C1	REAL300024786069	1	55	0.0	-64.07	430.77	3.44	-60.63
CCCCCC[N@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786113	0	56	0.0	-73.45	452.54	3.63	-69.82
CCCCCC[N@@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786113	1	56	0.0	-73.39	452.54	3.62	-69.77
CC[NH+](CC)C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024786119	0	56	0.0	-68.80	428.71	3.01	-65.79
CC[NH+](CC)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786128	0	47	0.0	-70.28	380.40	0.95	-69.33
CCC[N@@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024786161	0	54	0.0	-72.92	432.29	2.88	-70.04
CCC[N@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024786161	1	54	0.0	-65.51	426.04	3.08	-62.43
CC(C)[N@@H+]1CCOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024786182	0	52	0.0	-69.81	413.32	1.33	-68.48
CC(C)[N@H+]1CCOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024786182	1	52	0.0	-81.43	420.48	1.47	-79.96
CC1CC[NH+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024786217	0	51	0.0	-72.58	411.78	2.37	-70.21
CN(CCNC(=O)COC1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786251	0	52	0.0	-80.85	428.77	1.97	-78.88
CN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786266	0	48	0.0	-78.18	399.20	1.57	-76.61
CC1=[NH+]C=C2CCC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)CN21	REAL300024786267	1	50	0.0	-68.10	416.89	2.62	-65.48
CC(C)[NH+]1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024786356	0	54	0.0	-75.68	424.07	2.49	-73.19
CN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786378	0	48	0.0	-78.64	393.40	1.54	-77.10
CC(C)[C@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024786398	0	50	0.0	-71.35	393.62	1.41	-69.94
CCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024786432	0	53	0.0	-65.87	411.41	1.89	-63.98
CC[N@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786505	0	47	0.0	-74.50	388.64	1.08	-73.42
CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786505	1	47	0.0	-74.49	388.91	1.09	-73.40
CC1CCC[N@@H+]1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786569	0	48	0.0	-68.70	387.52	1.26	-67.44
CC1CCC[N@H+]1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786569	1	48	0.0	-69.25	393.98	1.65	-67.60
CC1CC[N@H+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024786571	0	48	0.0	-71.54	394.42	1.62	-69.92
CC1CC[N@@H+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024786571	1	48	0.0	-71.51	394.57	1.59	-69.92
CC1=[NH+]C=C2CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300024786573	1	50	0.0	-72.61	417.77	2.61	-70.00
CN(CCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786576	0	51	0.0	-71.48	414.38	2.13	-69.35
CN(CCNC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786576	1	51	0.0	-71.51	414.39	2.13	-69.38
CN(CCNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786577	0	53	0.0	-71.77	418.33	2.41	-69.36
CN(CCNC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786577	1	53	0.0	-72.29	416.38	2.26	-70.03
CC[C@@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024786588	0	47	0.0	-68.14	378.79	0.88	-67.26
CN(CCNC(=O)C1CC[NH+](CC2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786670	0	55	0.0	-78.54	442.33	3.73	-74.81
CN(CCNC(=O)CC1(O)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786798	0	52	0.0	-76.55	419.09	0.18	-76.37
CN(CCNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786811	0	41	0.0	-72.57	348.82	-0.13	-72.70
CN(CCNC(=O)C[NH+]1CCC(CO)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786816	0	52	0.0	-73.82	422.34	-0.96	-74.78
CN(CCNC(=O)C[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786820	0	51	0.0	-71.63	399.89	1.93	-69.70
CN(CCNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786825	0	43	0.0	-70.86	379.78	3.37	-67.49
CN(CCNC(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786834	0	48	0.0	-73.45	393.11	1.47	-71.98
CN(CCNC(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786834	1	48	0.0	-73.33	393.41	1.50	-71.83
CN(CCNC(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786839	0	49	0.0	-72.26	401.27	1.88	-70.38
CN(CCNC(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786839	1	49	0.0	-69.05	399.24	1.73	-67.32
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024786871	1	45	0.0	-71.55	378.82	0.81	-70.74
CCC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024786879	0	53	0.0	-68.97	424.05	2.49	-66.48
CN(CCNC(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786887	0	50	0.0	-70.44	396.35	1.57	-68.87
CN(CCNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786907	0	50	0.0	-72.42	405.76	2.50	-69.92
CN(CCNC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786907	1	50	0.0	-73.47	405.81	3.37	-70.10
CN(CCNC(=O)C[NH+]1CCC(O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786922	1	49	0.0	-76.84	401.36	-1.62	-78.46
CN(CCNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786923	0	45	0.0	-69.63	377.95	1.26	-68.37
CN(CCNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786923	1	45	0.0	-69.90	377.95	1.26	-68.64
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024786924	1	53	0.0	-73.50	422.08	-0.29	-73.79
CN(CCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786947	0	45	0.0	-73.36	380.26	0.70	-72.66
CN(CCNC(=O)C1CC[N@@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786951	0	52	0.0	-72.81	421.25	2.84	-69.97
CN(CCNC(=O)C1CC[N@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786951	1	52	0.0	-70.88	414.87	2.32	-68.56
CN(CCNC(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786959	0	51	0.0	-69.02	394.33	1.09	-67.93
CN(CCNC(=O)C1CC[N@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786959	1	51	0.0	-69.27	393.03	1.40	-67.87
C[C@@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024786971	0	44	0.0	-69.91	366.65	0.25	-69.66
CN(CCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024786986	0	35	0.0	-25.25	325.77	-4.53	-29.78
CCC1CCC[N@H+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787018	0	54	0.0	-72.21	429.79	2.99	-69.22
CCC1CCC[N@@H+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787018	1	54	0.0	-72.34	429.52	2.97	-69.37
CN(CCNC(=O)C1=CC=C(C[NH+](C)C)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787026	0	49	0.0	-84.55	415.12	1.29	-83.26
CN(CCNC(=O)CC1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787038	0	55	0.0	-76.58	414.50	2.33	-74.25
CN(CCNC(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024787080	0	41	0.0	-69.29	375.89	0.05	-69.24
CN(CCNC(=O)CC[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787092	0	48	0.0	-74.71	398.99	-2.15	-76.86
CN(CCNC(=O)CC[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787092	1	48	0.0	-73.60	399.25	-2.15	-75.75
C[C@@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024787093	0	44	0.0	-69.91	366.65	0.25	-69.66
CN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787097	0	48	0.0	-67.55	390.75	1.46	-66.09
CN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787097	1	48	0.0	-70.83	381.19	1.28	-69.55
CC1CN2CC[N@@H+]1CC2C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787107	0	51	0.0	-79.78	401.63	-1.13	-80.91
CC1CN2CC[N@H+]1CC2C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787107	1	51	0.0	-73.99	401.62	-1.16	-75.15
COC1C[N@@H+]2CCCC2(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787148	0	53	0.0	-67.89	424.26	0.52	-67.37
COC1C[N@H+]2CCCC2(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787148	1	53	0.0	-72.47	426.72	0.84	-71.63
CN(CCNC(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788154	0	49	0.0	-70.00	395.25	1.96	-68.04
CN(CCNC(=O)C[N@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788154	1	49	0.0	-68.95	392.71	1.76	-67.19
CC(C)[NH+]1CCC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024788165	0	57	0.0	-70.42	442.68	3.19	-67.23
CN(CCNC(=O)C=C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788212	0	50	0.0	-68.80	404.95	2.26	-66.54
CN(CCNC(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788223	1	47	0.0	-70.38	387.93	1.84	-68.54
CN(CCNC(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788223	1	47	0.0	-67.99	387.91	1.74	-66.25
CC[NH+]1CCN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024788259	0	53	0.0	-71.97	425.30	0.04	-71.93
CC(C[NH+](C)C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788282	0	47	0.0	-68.95	387.01	1.24	-67.71
CN(CCNC(=O)CC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788371	0	51	0.0	-76.09	408.07	2.06	-74.03
CN(CCNC(=O)CC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788371	1	51	0.0	-75.33	408.05	2.07	-73.26
CC1=C2C=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024788391	1	46	0.0	-77.53	400.90	3.94	-73.59
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024788392	0	48	0.0	-71.72	398.89	1.52	-70.20
CC1CC[N@@H+]1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788396	1	45	0.0	-70.24	374.33	0.67	-69.57
CC1CC[N@H+]1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788396	1	45	0.0	-71.43	380.15	0.95	-70.48
CN(CCNC(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788401	0	48	0.0	-78.89	401.52	-1.12	-80.01
CC1C[N@H+](C)CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024788434	1	49	0.0	-83.73	400.17	0.63	-83.10
CC1C[N@@H+](C)CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024788434	1	49	0.0	-79.78	400.26	0.91	-78.87
CN(CCNC(=O)CC[NH+]1CCC(O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788445	0	52	0.0	-77.67	423.18	-1.09	-78.76
CCC[N@@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788448	0	54	0.0	-67.43	429.83	2.84	-64.59
CCC[N@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788448	1	54	0.0	-67.40	429.84	2.83	-64.57
CC[NH+]1CCN(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024788453	0	56	0.0	-75.62	445.99	0.36	-75.26
CCN1CC[NH+](CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024788453	1	56	0.0	-75.03	447.42	0.53	-74.50
CN(CCNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788456	0	55	0.0	-73.32	418.87	2.62	-70.70
CN(CCNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788456	1	55	0.0	-66.92	423.22	3.34	-63.58
CC(C)C[NH+]1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024788497	0	57	0.0	-76.85	449.61	3.61	-73.24
CN(CCNC(=O)CN1CCC([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788522	0	56	0.0	-73.53	441.88	0.56	-72.97
CN(CCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788542	0	48	0.0	-75.50	398.39	1.60	-73.90
CC(CC[NH+](C)C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788550	0	50	0.0	-75.02	408.86	1.76	-73.26
CN(CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788576	0	52	0.0	-70.03	419.59	-0.74	-70.77
CN(CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788576	1	52	0.0	-69.37	419.55	-0.94	-70.31
C#CC[N@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788585	1	50	0.0	-67.64	416.09	2.67	-64.97
C#CC[N@@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788585	1	50	0.0	-68.59	406.68	2.52	-66.07
CN(CCNC(=O)CN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788589	1	50	0.0	-73.17	407.95	-0.63	-73.80
CC[NH+]1CCN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024788599	0	53	0.0	-71.97	425.30	0.04	-71.93
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024788776	0	45	0.0	-72.13	368.17	0.34	-71.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024788776	1	45	0.0	-68.70	371.58	0.68	-68.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300024788802	1	46	0.0	-70.39	375.02	-0.08	-70.47
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300024788802	1	46	0.0	-85.16	382.45	0.09	-85.07
CC1=[NH+]C=CN1CCCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024788965	1	49	0.0	-70.13	419.79	2.75	-67.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300024788973	0	51	0.0	-82.65	423.76	2.94	-79.71
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCOCC1	REAL300024788974	1	49	0.0	-76.53	403.82	-0.15	-76.68
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+]1CCC2	REAL300024789006	0	49	0.0	-67.05	386.41	1.17	-65.88
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024789021	1	43	0.0	-78.76	375.87	2.97	-75.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC([NH+](C)C)C1	REAL300024789087	0	54	0.0	-67.45	416.21	2.21	-65.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300024789090	0	48	0.0	-74.92	395.26	1.44	-73.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300024789090	1	48	0.0	-75.07	395.08	1.43	-73.64
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789102	0	47	0.0	-80.46	400.19	-0.40	-80.86
CCC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024789107	0	47	0.0	-69.89	379.42	0.91	-68.98
CC1CC2CCC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C[N@@H+]2C1	REAL300024789157	0	55	0.0	-70.26	432.07	2.86	-67.40
CC1CC2CCC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C[N@H+]2C1	REAL300024789157	1	55	0.0	-70.33	432.15	2.85	-67.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300024789184	0	50	0.0	-75.47	414.18	1.98	-73.49
CC(C)C(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024789206	0	50	0.0	-69.65	392.63	1.70	-67.95
CCC[N@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789208	0	50	0.0	-74.58	410.41	1.81	-72.77
CCC[N@@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789208	1	50	0.0	-74.81	410.14	1.79	-73.02
CCC[N@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789214	0	47	0.0	-71.63	388.04	1.21	-70.42
CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789214	1	47	0.0	-71.64	388.05	1.21	-70.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@H+](C1)CCC2	REAL300024789241	0	49	0.0	-81.17	380.94	0.60	-80.57
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300024789241	1	49	0.0	-80.31	380.83	0.64	-79.67
CCCCCC[N@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789282	0	56	0.0	-73.12	452.26	3.54	-69.58
CCCCCC[N@@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789282	1	56	0.0	-73.03	452.27	3.54	-69.49
CC[NH+](CC)C(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024789288	0	56	0.0	-67.60	428.76	2.41	-65.19
CC1CC[NH+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024789324	0	51	0.0	-72.20	411.61	2.28	-69.92
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COC1CC[NH+](C)CC1	REAL300024789358	0	52	0.0	-79.50	428.77	1.97	-77.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024789420	0	52	0.0	-71.88	412.55	2.35	-69.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024789420	1	52	0.0	-75.21	415.22	2.42	-72.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300024789432	0	48	0.0	-69.46	397.12	1.39	-68.07
CC1=[NH+]C=C2CCC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)CN21	REAL300024789433	1	50	0.0	-67.62	414.16	2.34	-65.28
CC(C)[NH+]1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024789445	0	54	0.0	-75.39	420.75	2.24	-73.15
CC[N@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789472	0	47	0.0	-73.90	388.91	1.07	-72.83
CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789472	1	47	0.0	-74.03	388.64	1.05	-72.98
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300024789501	0	54	0.0	-71.16	411.02	2.12	-69.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCC1CC2	REAL300024789515	0	49	0.0	-75.93	386.53	1.34	-74.59
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024789598	0	48	0.0	-76.95	389.78	1.28	-75.67
CC(C)[C@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024789618	0	50	0.0	-69.92	393.03	1.58	-68.34
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](CC2CC2)CC1	REAL300024789691	0	55	0.0	-77.91	437.63	3.42	-74.49
CC[NH+](CC)CC(F)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789731	0	50	0.0	-74.93	411.17	1.82	-73.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(C[NH+](C)C)C=CS1	REAL300024789732	0	48	0.0	-72.12	422.04	2.28	-69.84
CC(C)C[N@@H+]1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024789770	0	54	0.0	-72.09	433.48	2.73	-69.36
CC(C)C[N@H+]1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024789770	1	54	0.0	-74.39	430.93	2.62	-71.77
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300024789774	0	48	0.0	-75.92	380.65	1.03	-74.89
CCC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024789808	0	53	0.0	-65.85	409.82	1.95	-63.90
CC1CCC[N@@H+]1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789831	0	48	0.0	-68.49	394.85	1.47	-67.02
CC1CCC[N@H+]1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789831	1	48	0.0	-68.47	387.25	1.17	-67.30
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789909	1	52	0.0	-67.40	433.96	2.98	-64.42
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300024789916	0	54	0.0	-68.16	417.41	2.54	-65.62
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789918	0	54	0.0	-66.19	411.54	2.04	-64.15
CC(C)[N@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789918	1	54	0.0	-65.05	419.95	2.27	-62.78
CC(C)[N@@H+]1CCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789944	0	51	0.0	-67.47	404.02	1.74	-65.73
CC(C)[N@H+]1CCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789944	1	51	0.0	-68.56	395.60	1.85	-66.71
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300024789949	1	51	0.0	-65.41	415.79	1.24	-64.17
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789954	0	54	0.0	-65.96	417.49	2.37	-63.59
CC(C)[N@H+]1CCCC1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024789954	1	54	0.0	-63.08	417.89	2.36	-60.72
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300024789955	0	55	0.0	-70.27	418.70	2.90	-67.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C1CCCC1	REAL300024789955	1	55	0.0	-68.69	431.09	3.19	-65.50
CC(C)[C@@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024789971	0	50	0.0	-68.99	391.12	1.41	-67.58
CC1CC[N@H+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024789994	0	48	0.0	-70.98	394.09	1.56	-69.42
CC1CC[N@@H+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024789994	1	48	0.0	-70.94	394.90	1.54	-69.40
CC1=[NH+]C=C2CC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300024789996	1	50	0.0	-71.85	412.93	2.31	-69.54
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024789999	0	51	0.0	-70.73	413.88	2.06	-68.67
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300024789999	1	51	0.0	-70.79	413.78	2.04	-68.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300024790000	0	53	0.0	-71.31	418.60	2.35	-68.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300024790000	1	53	0.0	-71.52	416.65	2.20	-69.32
CC[C@@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024790011	0	47	0.0	-71.86	379.25	0.82	-71.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300024790158	0	50	0.0	-69.46	423.56	1.51	-67.95
CC1=[NH+]C=CN1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024790258	1	43	0.0	-68.92	377.98	1.39	-67.53
CC(C[NH+]1CCOCC1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024790260	0	52	0.0	-74.54	415.21	0.26	-74.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCCC1	REAL300024790279	0	54	0.0	-73.59	433.86	3.04	-70.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024790299	1	47	0.0	-80.40	404.17	1.11	-79.29
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=CC2=C[NH+]=CN21	REAL300024790300	0	46	0.0	-76.94	401.92	3.56	-73.38
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024790336	1	49	0.0	-67.04	414.47	2.54	-64.50
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300024790384	0	52	0.0	-67.79	401.45	1.96	-65.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC2CCC[N@H+]21	REAL300024790384	1	52	0.0	-64.87	408.58	2.37	-62.50
CC[N@@H+]1CCOC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024790416	1	49	0.0	-80.41	399.87	0.74	-79.67
CC[N@H+]1CCOC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024790416	1	49	0.0	-77.00	391.88	0.52	-76.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024790477	0	43	0.0	-77.37	383.61	3.17	-74.20
CC1=C[NH+]=CN1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024790482	1	43	0.0	-70.40	377.53	2.10	-68.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300024790485	0	51	0.0	-80.98	428.16	0.92	-80.06
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300024790495	0	51	0.0	-87.04	430.73	1.64	-85.40
C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024790501	0	48	0.0	-73.43	382.89	1.05	-72.38
C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024790501	1	48	0.0	-74.65	390.62	1.05	-73.60
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024790504	1	52	0.0	-67.48	434.77	3.06	-64.42
CC[C@@H]1[C@@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024790507	0	51	0.0	-73.73	405.01	1.39	-72.34
CC[C@@H]1[C@@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024790507	1	51	0.0	-73.48	410.15	1.87	-71.61
CC1CCC(C)[NH+]1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024790524	0	51	0.0	-67.68	405.55	1.68	-66.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCC1	REAL300024790530	0	51	0.0	-73.39	418.65	2.38	-71.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C[NH+](C)C)=CC=C1	REAL300024790531	0	51	0.0	-74.85	424.94	2.95	-71.90
C#CC[NH+]1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024790538	0	50	0.0	-78.20	413.13	2.37	-75.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCC1	REAL300024790539	0	51	0.0	-73.23	412.36	2.23	-71.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC=C1C[NH+](C)C	REAL300024790544	0	51	0.0	-61.88	421.76	2.94	-58.94
CC[N@@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024790550	0	51	0.0	-67.71	394.97	1.55	-66.16
CC[N@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024790550	1	51	0.0	-67.70	394.98	1.55	-66.15
CC(C)C(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024790551	0	57	0.0	-69.29	434.40	3.49	-65.80
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300024790554	1	51	0.0	-68.16	416.41	3.01	-65.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300024790559	1	50	0.0	-69.40	420.41	3.87	-65.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300024790598	0	57	0.0	-79.20	421.63	3.03	-76.17
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300024790604	0	57	0.0	-75.00	447.23	3.44	-71.56
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300024790604	1	57	0.0	-74.70	447.23	3.43	-71.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1([NH+](C)C)CCCC1	REAL300024790605	0	54	0.0	-75.53	412.64	2.27	-73.26
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300024790799	0	48	0.0	-69.90	394.93	1.77	-68.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300024790799	1	48	0.0	-69.78	394.77	1.76	-68.02
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300024790829	0	54	0.0	-65.66	418.57	2.12	-63.54
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+]1CCCC1	REAL300024790844	0	54	0.0	-74.12	440.14	3.16	-70.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300024790846	1	51	0.0	-76.24	425.52	3.40	-72.84
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300024790846	1	51	0.0	-76.21	425.47	3.40	-72.81
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024790860	0	48	0.0	-76.95	389.78	1.28	-75.67
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024790915	0	45	0.0	-69.47	371.24	0.66	-68.81
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024790915	1	45	0.0	-71.58	367.66	0.34	-71.24
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024790939	1	47	0.0	-67.75	394.21	1.56	-66.19
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024790939	1	47	0.0	-68.85	397.19	1.85	-67.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL300024790946	0	51	0.0	-71.70	410.75	1.87	-69.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL300024790946	1	51	0.0	-76.68	416.20	2.33	-74.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+](CCC1)C2	REAL300024790958	0	52	0.0	-73.22	396.18	1.49	-71.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300024790965	0	52	0.0	-67.36	408.27	2.27	-65.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCCC[N@H+]21	REAL300024790965	1	52	0.0	-68.69	409.62	2.28	-66.41
CCC[N@@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024791048	0	54	0.0	-66.47	421.43	2.74	-63.73
CCC[N@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024791048	1	54	0.0	-71.86	427.59	2.56	-69.30
CC(C)[N@@H+]1CCOC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024791069	0	52	0.0	-68.37	409.61	1.08	-67.29
CC(C)[N@H+]1CCOC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024791069	1	52	0.0	-74.84	408.62	1.03	-73.81
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024791104	0	48	0.0	-68.93	377.23	0.90	-68.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024791104	1	48	0.0	-72.60	381.63	1.02	-71.58
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024791130	0	54	0.0	-69.68	432.92	2.81	-66.87
CC(C)C[N@H+]1CCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024791130	1	54	0.0	-69.36	429.60	2.81	-66.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(CO)CC1	REAL300024791148	0	52	0.0	-73.27	422.71	-1.02	-74.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC2CCC(C1)[NH+]2C	REAL300024791183	0	53	0.0	-71.61	420.71	2.74	-68.87
CC1C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024791201	0	48	0.0	-73.94	391.03	1.05	-72.89
CC1C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024791201	1	48	0.0	-72.93	385.48	1.08	-71.85
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@@H+]1C	REAL300024791203	0	54	0.0	-75.41	422.77	2.59	-72.82
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@H+]1C	REAL300024791203	1	54	0.0	-71.89	429.89	2.76	-69.13
CN(CCNC(=O)CSC1=NC(=O)NN1)C(=O)CCC(F)(F)CN=[N+]=[N-]	REAL300024791297	0	44	0.0	-23.47	400.71	-2.19	-25.66
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024791314	0	51	0.0	-69.47	390.71	0.73	-68.74
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300024791314	1	51	0.0	-68.50	408.78	1.41	-67.09
C[C@@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024791335	0	44	0.0	-69.48	365.36	0.21	-69.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300024791354	1	50	0.0	-72.14	420.54	1.09	-71.05
C=CCC(C)(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024791358	0	51	0.0	-65.22	392.69	1.29	-63.93
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024791388	0	48	0.0	-73.31	397.14	1.56	-71.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024791398	1	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	REAL300024791398	1	45	0.0	-71.96	376.40	-2.80	-74.76
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300024791441	0	51	0.0	-80.35	395.35	-0.96	-81.31
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300024791441	1	51	0.0	-76.32	394.11	-1.01	-77.33
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300024791469	1	49	0.0	-73.21	400.02	1.51	-71.70
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@H+](C)CC1	REAL300024791512	0	49	0.0	-71.43	407.96	2.17	-69.26
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300024791512	1	49	0.0	-69.53	407.95	2.17	-67.36
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)CC[S+](C)C	REAL300024791528	0	47	0.0	-76.59	410.02	-0.74	-77.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024791550	0	49	0.0	-74.18	387.84	-2.39	-76.57
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC(O)C[N@H+]1C	REAL300024791550	1	49	0.0	-76.97	388.50	-2.38	-79.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300024791565	0	53	0.0	-69.12	420.59	-0.21	-69.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024791565	1	53	0.0	-69.38	415.23	-0.75	-70.13
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(O)C1	REAL300024791566	0	52	0.0	-69.15	416.63	-1.40	-70.55
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCCC(O)C1	REAL300024791566	1	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	REAL300024791605	0	52	0.0	-68.92	419.21	0.18	-68.74
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300024791605	1	52	0.0	-66.61	409.16	-0.02	-66.63
CC1C[NH+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024791611	1	45	0.0	-71.91	379.81	0.87	-71.04
CC[N@@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024791618	0	51	0.0	-66.15	399.94	2.00	-64.15
CC[N@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024791618	1	51	0.0	-71.25	406.10	1.82	-69.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300024791641	0	49	0.0	-67.14	402.78	2.13	-65.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C1CC1	REAL300024791641	1	49	0.0	-67.24	396.95	1.97	-65.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300024791690	0	49	0.0	-75.49	408.55	2.11	-73.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300024791715	0	52	0.0	-73.47	414.48	2.47	-71.00
CC[N@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024791765	0	44	0.0	-71.27	366.55	0.47	-70.80
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC2C=CC1C2	REAL300024791830	0	47	0.0	-68.67	387.35	1.64	-67.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024791830	1	47	0.0	-70.05	388.03	1.77	-68.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300024791830	1	47	0.0	-70.05	388.03	1.77	-68.28
CC1=CC=C(NCCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024791854	0	50	0.0	-69.14	427.68	1.24	-67.90
CC1=CC=C(NCCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)[NH+]=C1	REAL300024791854	1	50	0.0	-69.14	427.68	1.24	-67.90
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCN1CC2	REAL300024791930	0	48	0.0	-76.17	381.71	-2.11	-78.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300024791980	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	REAL300024791980	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	REAL300024791991	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	REAL300024791991	1	50	0.0	-66.38	390.37	1.53	-64.85
CC(OCC[NH+](C)C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792002	0	51	0.0	-73.70	420.88	1.40	-72.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCOCC[NH+](C)C	REAL300024792014	0	51	0.0	-73.90	425.64	0.63	-73.27
COCCN(C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792016	0	48	0.0	-71.57	398.65	-0.39	-71.96
COCC[N@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792016	1	48	0.0	-72.25	398.88	-0.38	-72.63
COCC[N@@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792016	1	48	0.0	-72.25	398.88	-0.38	-72.63
CC(CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024792023	0	50	0.0	-72.18	406.17	1.59	-70.59
CC[N@H+](CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024792056	0	48	0.0	-70.00	390.21	1.71	-68.29
CC1C[N@@H+]2CCN1C(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024792073	0	51	0.0	-81.91	398.04	-1.52	-83.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024792104	0	46	0.0	-74.94	375.66	0.77	-74.17
CC1=NC(N)=CC=C1C=CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792114	0	48	0.0	-72.72	412.97	0.50	-72.22
CC1=[NH+]C(N)=CC=C1C=CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792114	1	48	0.0	-72.72	412.97	0.50	-72.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300024792122	0	49	0.0	-69.58	394.96	1.89	-67.69
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2CCC1C2	REAL300024792122	1	49	0.0	-69.58	394.96	1.89	-67.69
CC(C)[NH+]1CCC(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024792136	0	57	0.0	-69.51	442.69	3.17	-66.34
CC(C[NH+](C)C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792150	0	47	0.0	-74.22	382.04	0.80	-73.42
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300024792168	0	45	0.0	-75.75	370.22	0.49	-75.26
C[C@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024792195	0	44	0.0	-70.54	364.99	0.16	-70.38
CC[N@@H+]1CCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792206	0	45	0.0	-71.51	378.68	0.67	-70.84
CC[N@H+]1CCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792206	1	45	0.0	-71.36	378.95	0.68	-70.68
CC(C)[N@@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024792220	0	54	0.0	-65.64	416.59	2.52	-63.12
CC(C)[N@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024792220	1	54	0.0	-71.28	424.18	2.41	-68.87
CCC(C)(C)[NH2+]C(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792239	0	53	0.0	-70.62	411.94	0.41	-70.21
C#CC[N@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792291	1	50	0.0	-68.80	413.66	2.52	-66.28
C#CC[N@@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792291	1	50	0.0	-67.30	414.49	2.57	-64.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[NH+]=CC=C1N	REAL300024792295	0	41	0.0	-74.15	358.26	-2.28	-76.43
CCCC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024792306	0	50	0.0	-68.35	397.78	1.46	-66.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024792314	0	47	0.0	-72.88	369.02	0.53	-72.35
CC(CC[NH+](C)C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792338	0	50	0.0	-74.39	403.67	1.42	-72.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300024792392	0	55	0.0	-74.19	415.10	2.37	-71.82
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300024792392	1	55	0.0	-66.48	418.58	3.00	-63.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024792426	0	50	0.0	-69.92	401.62	2.07	-67.85
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024792426	1	50	0.0	-72.33	398.11	2.90	-69.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024792475	0	51	0.0	-68.22	406.68	1.47	-66.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300024792475	1	51	0.0	-71.57	407.17	1.49	-70.08
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCCC[NH+](C)C	REAL300024792480	0	53	0.0	-74.88	435.68	2.76	-72.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCC(O)CC1	REAL300024792485	0	52	0.0	-76.41	423.90	-1.07	-77.48
CCC[N@@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792491	0	54	0.0	-67.08	428.60	2.78	-64.30
CCC[N@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792491	1	54	0.0	-71.85	420.98	2.48	-69.37
CC[NH+]1CCN(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024792500	0	56	0.0	-74.78	446.26	0.36	-74.42
CCN1CC[NH+](CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024792500	1	56	0.0	-74.64	447.15	0.49	-74.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC[NH+](C)CC1	REAL300024792503	1	50	0.0	-72.01	407.95	-0.69	-72.70
CC(C)C[NH+]1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024792624	0	57	0.0	-77.75	445.03	3.30	-74.45
CC1C[N@H+](C)CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024792627	1	49	0.0	-86.60	394.96	0.38	-86.22
CC1C[N@@H+](C)CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024792627	1	49	0.0	-82.48	396.65	0.41	-82.07
CCC1CCC[N@H+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024792661	0	54	0.0	-72.10	422.78	2.88	-69.22
CCC1CCC[N@@H+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024792661	1	54	0.0	-71.96	429.53	2.90	-69.06
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024792670	0	49	0.0	-85.32	410.05	1.49	-83.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024792691	0	46	0.0	-71.68	384.16	1.67	-70.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300024792709	0	52	0.0	-70.09	412.80	2.51	-67.58
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024792756	0	48	0.0	-68.93	377.23	0.90	-68.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024792756	1	48	0.0	-72.60	381.63	1.02	-71.58
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024792768	0	57	0.0	-66.80	438.88	3.42	-63.38
CC(C)C[N@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024792768	1	57	0.0	-65.53	439.88	3.50	-62.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC([NH+](C)C)CC1	REAL300024792832	0	56	0.0	-72.18	442.15	0.49	-71.69
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024792902	0	46	0.0	-76.53	386.57	1.34	-75.19
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024792902	1	46	0.0	-75.98	386.87	1.36	-74.62
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC1=CC=[NH+]C=C1	REAL300024792908	0	44	0.0	-72.87	384.53	-0.93	-73.80
CN(CCNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024792967	0	35	0.0	-25.37	325.77	-4.60	-29.97
CC[NH+]1CCN(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024792976	0	53	0.0	-70.98	425.30	-0.05	-71.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300024792979	0	50	0.0	-68.24	404.13	2.21	-66.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCCC1	REAL300024793027	0	51	0.0	-73.45	389.83	1.43	-72.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300024793039	0	52	0.0	-70.44	419.54	-0.99	-71.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300024793039	1	52	0.0	-67.20	419.29	-0.80	-68.00
CCC1C[NH+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793045	0	48	0.0	-72.53	401.48	1.65	-70.88
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300024793049	0	53	0.0	-78.66	430.53	0.69	-77.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300024793051	0	52	0.0	-70.44	404.65	2.08	-68.36
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024793065	0	45	0.0	-69.06	367.62	0.33	-68.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024793065	1	45	0.0	-68.50	373.45	0.64	-67.86
CC[N@@H+]1CCOCC1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793104	0	52	0.0	-76.56	416.69	0.33	-76.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+](C2CCCCC2)C1	REAL300024793129	0	55	0.0	-73.80	439.80	3.15	-70.65
COC1C[N@@H+]2CCCC2(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793145	0	53	0.0	-71.62	418.96	0.21	-71.41
COC1C[N@H+]2CCCC2(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793145	1	53	0.0	-71.62	418.96	0.21	-71.41
CC[NH+](CC)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794186	0	50	0.0	-73.19	402.42	1.48	-71.71
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(C(N)=O)CC1	REAL300024794209	0	52	0.0	-82.34	426.46	-1.65	-83.99
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024794261	0	49	0.0	-78.33	410.84	1.36	-76.97
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300024794282	0	52	0.0	-74.15	417.52	-1.40	-75.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300024794289	0	50	0.0	-74.43	404.37	-0.02	-74.45
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2COCC[N@H+]2C1	REAL300024794289	1	50	0.0	-74.56	403.45	-0.04	-74.60
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024794307	0	45	0.0	-69.39	374.49	0.69	-68.70
CCC(CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024794317	0	53	0.0	-75.58	420.15	2.31	-73.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300024794326	0	50	0.0	-70.15	386.30	1.00	-69.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024794397	0	48	0.0	-69.38	388.95	1.38	-68.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300024794397	1	48	0.0	-72.60	381.64	1.03	-71.57
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794414	0	51	0.0	-73.62	398.37	-1.60	-75.22
CC1CN2CC[N@H+]1CC2C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794414	1	51	0.0	-74.32	398.47	-1.56	-75.88
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(O)C[NH+](C)C	REAL300024794441	0	48	0.0	-77.57	401.41	-1.13	-78.70
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300024794444	0	52	0.0	-72.95	385.70	1.84	-71.11
C=CCC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024794485	0	48	0.0	-66.93	389.73	1.18	-65.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024794497	0	52	0.0	-71.88	412.55	2.35	-69.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024794497	1	52	0.0	-75.21	415.22	2.42	-72.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC[NH+](C)CC1	REAL300024794511	0	51	0.0	-73.54	396.83	1.37	-72.17
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300024794515	0	52	0.0	-71.56	416.44	0.23	-71.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300024794538	0	55	0.0	-72.12	414.23	2.27	-69.85
CN(CCNC(=O)CSC(N)=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024794552	0	39	0.0	-75.18	357.35	-3.26	-78.44
CC[N@@H+]1CCOCC1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794596	0	52	0.0	-76.49	416.62	0.36	-76.13
CN(CCNC(=O)C1(CC[NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794614	0	57	0.0	-83.09	449.76	3.45	-79.64
CC1CCCC(C)[NH+]1CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794616	0	57	0.0	-71.31	439.40	2.98	-68.33
CN(CCNC(=O)C1CCC([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794619	0	54	0.0	-79.32	427.37	2.69	-76.63
CN(CCNC(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794620	0	51	0.0	-80.02	424.56	2.42	-77.60
CN(CCNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794622	0	54	0.0	-72.61	420.84	2.55	-70.06
CN(CCNC(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794623	0	49	0.0	-76.97	399.78	1.91	-75.06
CN(CCNC(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794623	1	49	0.0	-76.97	399.78	1.91	-75.06
C[C@@H](OCC[NH+](C)C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794648	0	51	0.0	-72.92	424.21	1.60	-71.32
CN(CCNC(=O)C1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794680	0	52	0.0	-70.52	391.76	2.42	-68.10
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300024794816	1	49	0.0	-72.31	404.19	1.72	-70.59
CCC1C[NH+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024794818	1	48	0.0	-73.12	401.21	1.71	-71.41
CN(CCNC(=O)C1C[NH+](C2CCOCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794820	0	53	0.0	-78.86	432.01	0.82	-78.04
CN(CCNC(=O)C1([NH+]2CCCC2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794822	0	52	0.0	-74.15	408.56	2.56	-71.59
CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794831	1	45	0.0	-68.89	374.84	0.93	-67.96
CN(CCNC(=O)CC[N@H+]1CCC(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794840	1	48	0.0	-76.77	403.42	1.69	-75.08
COC1C[N@@H+](C)C(C)(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024794848	1	52	0.0	-72.95	419.22	0.33	-72.62
CN(CCNC(=O)CC[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794861	0	54	0.0	-75.47	422.84	2.50	-72.97
CN(CCNC(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794863	0	48	0.0	-71.79	390.65	1.74	-70.05
CC1C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024794873	0	48	0.0	-73.03	389.71	1.09	-71.94
CC1C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024794873	1	48	0.0	-70.81	390.02	1.08	-69.73
CN(CCNC(=O)CCC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794875	0	54	0.0	-72.91	429.57	2.77	-70.14
CN(CCNC(=O)CCC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794875	1	54	0.0	-72.00	429.90	2.79	-69.21
CN(CCNC(=O)C1CC[N@@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794908	0	50	0.0	-69.09	403.92	0.19	-68.90
CN(CCNC(=O)C1CC[N@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794908	1	50	0.0	-71.04	403.77	0.18	-70.86
CC1=[NH+]C=C2C=CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300024794913	0	46	0.0	-70.87	400.13	3.13	-67.74
CN(CCNC(=O)CC1COCCN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794932	0	49	0.0	-66.88	391.68	-0.47	-67.35
CN(CCNC(=O)CC1COCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794932	1	49	0.0	-66.80	391.95	-0.45	-67.25
CN(CCNC(=O)CC1COCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794932	1	49	0.0	-66.88	391.68	-0.47	-67.35
CC1=C(C)[NH+]=C(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024794941	1	49	0.0	-68.67	419.05	1.16	-67.51
CCOCC(N=[N+]=[N-])C(=O)NCCN(C)C(=O)CSC1=NC(=O)NN1	REAL300024794947	0	45	0.0	-24.24	402.00	-3.84	-28.08
CC(C)C[N@@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024794955	0	57	0.0	-72.18	449.76	3.57	-68.61
CC(C)C[N@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024794955	1	57	0.0	-66.11	443.46	3.76	-62.35
CN(CCNC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794996	0	51	0.0	-69.04	428.31	1.32	-67.72
CN(CCNC(=O)C1(C2CC[NH+](C)CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795039	0	55	0.0	-66.95	436.83	3.54	-63.41
CC1=C2C=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024795047	1	46	0.0	-77.53	400.90	3.94	-73.59
CN(CCNC(=O)CSCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795057	0	48	0.0	-79.68	415.71	1.81	-77.87
CN(CCNC(=O)C1CC2COCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795067	0	50	0.0	-71.24	406.97	0.24	-71.00
CN(CCNC(=O)C1CC2COCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795067	1	50	0.0	-74.70	407.28	0.18	-74.52
CCN(CCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795231	0	48	0.0	-69.63	388.82	1.35	-68.28
CCN(CCNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795231	1	48	0.0	-69.60	388.70	1.34	-68.26
CCN(CCNC(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795255	1	49	0.0	-85.78	402.13	1.12	-84.66
CCN(CCNC(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795255	1	49	0.0	-79.46	395.03	0.97	-78.49
CCN(CCNC(=O)C(C)[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795410	0	57	0.0	-68.40	435.85	3.45	-64.95
CCN(CCNC(=O)C1CCCC[N@@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795412	0	57	0.0	-65.25	441.84	3.28	-61.97
CCN(CCNC(=O)C1CCCC[N@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795412	1	57	0.0	-67.01	437.85	3.16	-63.85
CCN(CCNC(=O)C1CCC[N@@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795430	0	54	0.0	-71.03	421.22	3.06	-67.97
CCN(CCNC(=O)C1CCC[N@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795430	1	54	0.0	-67.14	426.57	2.88	-64.26
CCN(CCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795445	0	55	0.0	-76.43	436.19	3.47	-72.96
CCN(CCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795445	1	55	0.0	-71.87	432.26	3.42	-68.45
CCN(CCNC(=O)CN1C=C[NH+]=C1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795462	1	52	0.0	-67.97	430.42	3.39	-64.58
CCN(CCNC(=O)CN1C=C[NH+]=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795485	1	46	0.0	-69.46	398.22	2.40	-67.06
CCN(CCNC(=O)CCC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795499	0	57	0.0	-74.45	449.80	3.86	-70.59
CCN(CCNC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795512	0	57	0.0	-72.51	434.13	3.64	-68.87
CCN(CCNC(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795520	0	52	0.0	-80.97	406.13	2.46	-78.51
CCN(CCNC(=O)C1CCCC2CCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795553	0	55	0.0	-65.63	429.34	3.50	-62.13
CCN(CCNC(=O)C1CCCC2CCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795553	1	55	0.0	-65.73	433.30	3.62	-62.11
CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795563	0	51	0.0	-75.61	405.36	1.75	-73.86
CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795563	1	51	0.0	-72.36	410.85	2.28	-70.08
CC[C@@H]1[C@@H](C(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024795567	0	54	0.0	-75.33	425.49	2.49	-72.84
CC[C@@H]1[C@@H](C(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024795567	1	54	0.0	-73.27	425.77	2.88	-70.39
CCN(CCNC(=O)C1C[N@H+](CC)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795576	1	52	0.0	-83.91	419.91	1.76	-82.15
CCN(CCNC(=O)C1C[N@@H+](CC)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795576	1	52	0.0	-78.08	416.80	1.73	-76.35
CCN(CCNC(=O)C(F)C[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795613	0	53	0.0	-71.50	428.05	2.52	-68.98
CCN(CCNC(=O)C[NH+]1C(C)CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795669	0	54	0.0	-68.13	421.78	2.54	-65.59
CCN(CCNC(=O)CCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795673	0	54	0.0	-74.17	434.59	3.20	-70.97
C#CC[NH+]1CCC(C(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024795677	0	53	0.0	-78.37	434.53	3.54	-74.83
CCN(CCNC(=O)CC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795678	0	54	0.0	-73.80	428.31	3.07	-70.73
CCN(CCNC(=O)C1CCCC[N@@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795682	0	54	0.0	-67.96	415.09	2.75	-65.21
CCN(CCNC(=O)C1CCCC[N@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795682	1	54	0.0	-67.87	419.14	2.88	-64.99
CCN(CCNC(=O)C1CC[N@H+](CC(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795694	0	57	0.0	-73.86	450.72	3.62	-70.24
CCN(CCNC(=O)C1CC[N@@H+](CC(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795694	1	57	0.0	-73.20	453.86	3.76	-69.44
CCN(CCNC(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795697	0	51	0.0	-77.32	395.60	2.21	-75.11
CCN(CCNC(=O)CC1CCC[N@@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795699	0	57	0.0	-71.38	448.12	3.41	-67.97
CCN(CCNC(=O)CC1CCC[N@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795699	1	57	0.0	-67.05	437.73	2.85	-64.20
CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795709	0	53	0.0	-69.16	415.03	3.29	-65.87
CCN(CCNC(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795744	0	51	0.0	-70.01	410.88	2.64	-67.37
CCN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795744	1	51	0.0	-70.07	415.00	2.77	-67.30
CCN(CCNC(=O)C(C)[NH+]1C(C)CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795785	0	57	0.0	-65.90	438.14	3.27	-62.63
C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795835	1	50	0.0	-70.72	415.45	2.57	-68.15
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795835	1	50	0.0	-69.09	421.32	3.07	-66.02
CCN(CCNC(=O)CCC1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795840	0	54	0.0	-72.99	430.73	2.82	-70.17
CCN(CCNC(=O)CCC1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795840	1	54	0.0	-75.36	436.17	3.28	-72.08
CCN(CCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795847	0	55	0.0	-73.58	422.14	2.87	-70.71
CCN(CCNC(=O)C1CCC2CCCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795850	0	55	0.0	-66.59	436.65	3.74	-62.85
CCN(CCNC(=O)C1CCC2CCCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795850	1	55	0.0	-69.74	425.54	3.13	-66.61
CCN(CCNC(=O)CCCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795864	0	57	0.0	-75.08	456.09	3.98	-71.10
CCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795873	0	51	0.0	-78.73	409.34	2.33	-76.40
CCN(CCNC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795899	1	50	0.0	-81.40	422.85	1.63	-79.77
CCN(CCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795921	0	51	0.0	-69.11	401.43	2.21	-66.90
CCN(CCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795921	1	51	0.0	-70.70	401.43	2.21	-68.49
CCN(CCNC(=O)C1CCC[N@@H+]1CC(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795938	0	57	0.0	-69.40	449.39	3.88	-65.52
CCN(CCNC(=O)C1CCC[N@H+]1CC(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795938	1	57	0.0	-70.02	439.18	3.93	-66.09
CCN(CCNC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796019	0	46	0.0	-74.26	394.92	4.16	-70.10
CCN(CCNC(=O)CCCN1C=C[NH+]=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796025	1	52	0.0	-71.49	439.76	3.70	-67.79
CCN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796029	1	52	0.0	-76.76	424.05	0.79	-75.97
CCN(CCNC(=O)CN1C=[NH+]C=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796051	1	46	0.0	-71.16	393.47	2.96	-68.20
CCN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796082	0	52	0.0	-75.08	413.44	2.78	-72.30
CCN(CCNC(=O)C1CCCC([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796101	0	57	0.0	-68.06	437.07	3.33	-64.73
CCN(CCNC(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796103	0	51	0.0	-74.97	410.92	2.28	-72.69
CCN(CCNC(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796103	1	51	0.0	-76.84	415.32	2.38	-74.46
CCN(CCNC(=O)C1=C[NH+]=CC=C1N(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796113	0	50	0.0	-80.93	415.65	1.47	-79.46
CCC(C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024796117	0	50	0.0	-68.03	399.43	1.79	-66.24
CCN(CCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796125	0	57	0.0	-76.36	428.59	3.09	-73.27
CCN(CCNC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796155	1	46	0.0	-79.27	395.20	4.18	-75.09
CCN(CCNC(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796198	0	53	0.0	-76.17	434.15	2.92	-73.25
CCN(CCNC(=O)C(C(C)C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796214	0	53	0.0	-72.59	418.94	2.81	-69.78
CCC[N@H+](C)CCC(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796216	0	53	0.0	-75.22	426.35	2.62	-72.60
CCC[N@@H+](C)CCC(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796216	1	53	0.0	-75.08	430.38	2.74	-72.34
CCC[N@H+](C)CC(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796221	0	50	0.0	-72.08	408.01	2.20	-69.88
CCC[N@@H+](C)CC(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796221	1	50	0.0	-72.13	403.98	2.07	-70.06
CCN(CCNC(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796241	0	52	0.0	-80.65	406.69	1.90	-78.75
CCN(CCNC(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796241	1	52	0.0	-73.69	410.42	2.00	-71.69
CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796271	0	48	0.0	-68.85	391.04	1.73	-67.12
CCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796271	1	48	0.0	-69.70	388.82	1.35	-68.35
CCN(CCNC(=O)C[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796324	0	50	0.0	-70.62	404.88	2.15	-68.47
CCC[N@@H+]1CCCC(C(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024796355	0	57	0.0	-72.90	448.50	3.69	-69.21
CCC[N@H+]1CCCC(C(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024796355	1	57	0.0	-72.31	448.51	3.69	-68.62
CCN(CCNC(=O)C[NH+]1CCC(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796394	0	54	0.0	-72.41	431.74	3.28	-69.13
CCN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796426	0	51	0.0	-71.18	420.45	2.55	-68.63
CCN(CCNC(=O)C1CC[NH+](C(C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796485	0	57	0.0	-75.46	444.04	3.41	-72.05
CCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796500	0	51	0.0	-78.73	409.34	2.33	-76.40
CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796518	0	53	0.0	-71.56	413.49	2.88	-68.68
CCC(C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024796548	0	56	0.0	-66.12	434.92	3.08	-63.04
CCN(CCNC(=O)CC[N@H+](C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796595	0	50	0.0	-74.29	408.89	2.01	-72.28
CCN(CCNC(=O)CC[N@@H+](C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796595	1	50	0.0	-74.46	404.85	1.89	-72.57
CCN(CCNC(=O)C[N@@H+]1CCCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796641	0	51	0.0	-69.30	409.91	2.44	-66.86
CCN(CCNC(=O)C[N@H+]1CCCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796641	1	51	0.0	-68.53	407.49	2.18	-66.35
CCN(CCNC(=O)C[N@@H+]1CCC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796643	0	51	0.0	-71.26	414.81	2.52	-68.74
CCN(CCNC(=O)C[N@H+]1CCC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796643	1	51	0.0	-71.46	410.62	2.42	-69.04
CCN(CCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796647	0	54	0.0	-71.38	434.35	3.04	-68.34
CCN(CCNC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796647	1	54	0.0	-71.73	430.32	2.92	-68.81
CCN(CCNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796648	0	56	0.0	-71.69	434.54	3.22	-68.47
CCN(CCNC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796648	1	56	0.0	-72.29	432.59	3.07	-69.22
CC[C@@H](C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024796656	0	50	0.0	-68.14	394.99	1.68	-66.46
CCN(CCNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796797	0	44	0.0	-72.50	368.79	0.78	-71.72
CCN(CCNC(=O)C[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796801	0	54	0.0	-71.51	419.86	2.84	-68.67
CCN(CCNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796805	0	46	0.0	-70.81	395.99	4.17	-66.64
CCN(CCNC(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796811	0	51	0.0	-73.36	409.32	2.28	-71.08
CCN(CCNC(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796811	1	51	0.0	-74.07	409.35	2.29	-71.78
CCN(CCNC(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796816	0	52	0.0	-72.18	421.24	2.79	-69.39
CCN(CCNC(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796816	1	52	0.0	-68.87	419.20	2.65	-66.22
CCN(CCNC(=O)C(C)[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796839	1	48	0.0	-71.43	398.79	1.72	-69.71
CCC(CC(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024796843	0	56	0.0	-68.77	444.02	3.40	-65.37
CCN(CCNC(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796850	0	53	0.0	-70.43	416.32	2.49	-67.94
CCN(CCNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796864	0	53	0.0	-72.38	425.72	3.41	-68.97
CCN(CCNC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796864	1	53	0.0	-73.42	426.77	4.10	-69.32
CCN(CCNC(=O)C[NH+]1CCC(O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796872	1	52	0.0	-76.87	417.57	-0.82	-77.69
CCN(CCNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796873	0	48	0.0	-69.60	394.16	2.07	-67.53
CCN(CCNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796873	1	48	0.0	-69.94	394.16	2.07	-67.87
CCN(CCNC(=O)C(C)N1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796874	1	56	0.0	-73.24	442.04	0.62	-72.62
CCN(CCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796892	0	48	0.0	-73.13	400.23	1.61	-71.52
CCN(CCNC(=O)C1CC[N@@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796896	0	55	0.0	-72.76	441.21	3.75	-69.01
CCN(CCNC(=O)C1CC[N@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796896	1	55	0.0	-72.06	439.46	3.58	-68.48
CCN(CCNC(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796904	0	54	0.0	-68.93	414.30	2.00	-66.93
CCN(CCNC(=O)C1CC[N@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796904	1	54	0.0	-70.99	413.27	2.33	-68.66
CCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796915	0	47	0.0	-69.77	382.65	1.07	-68.70
CCN(CCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024796922	0	38	0.0	-24.62	345.74	-3.62	-28.24
CCC1CCC[N@H+](CC(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024796946	0	57	0.0	-72.41	442.74	3.87	-68.54
CCC1CCC[N@@H+](CC(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024796946	1	57	0.0	-72.22	445.73	3.78	-68.44
CCN(CCNC(=O)C1=CC=C(C[NH+](C)C)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796953	0	52	0.0	-84.37	431.60	1.84	-82.53
CCN(CCNC(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024796994	0	44	0.0	-69.17	395.86	0.97	-68.20
CCN(CCNC(=O)CC[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797004	0	51	0.0	-74.60	415.20	-1.35	-75.95
CCN(CCNC(=O)CC[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797004	1	51	0.0	-73.42	419.21	-1.24	-74.66
CCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797005	0	47	0.0	-69.77	382.65	1.07	-68.70
CCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797009	0	51	0.0	-69.96	406.69	2.25	-67.71
CCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797009	1	51	0.0	-69.07	401.43	2.21	-66.86
CCN(CCNC(=O)C1C[N@@H+]2CCN1CC2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797017	0	54	0.0	-80.40	420.16	-0.34	-80.74
CCN(CCNC(=O)C1C[N@H+]2CCN1CC2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797017	1	54	0.0	-79.73	421.59	-0.21	-79.94
CCN(CCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797077	1	45	0.0	-72.57	378.89	1.21	-71.36
CCN(CCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797100	0	49	0.0	-77.01	407.64	2.33	-74.68
CCN(CCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797100	1	49	0.0	-76.83	403.60	2.21	-74.62
CCN(CCNC(=O)COCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797130	0	51	0.0	-73.85	424.65	1.85	-72.00
C=CCC(C)(C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024797149	0	54	0.0	-76.75	422.40	3.68	-73.07
CCN(CCNC(=O)C(O)CC[S+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797153	0	50	0.0	-80.45	433.63	0.45	-80.00
CCN(CCNC(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797178	0	52	0.0	-78.85	414.04	-1.18	-80.03
CCN(CCNC(=O)C1CN(C)CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797187	0	56	0.0	-70.92	438.95	0.95	-69.97
CCN(CCNC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797187	1	56	0.0	-70.92	438.95	0.95	-69.97
CCN(CCNC(=O)CN1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797204	0	48	0.0	-72.33	396.03	1.76	-70.57
CCN(CCNC(=O)C[NH+]1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797204	1	48	0.0	-72.33	396.03	1.76	-70.57
CCN(CCNC(=O)CN(C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797226	0	48	0.0	-72.36	396.87	-1.78	-74.14
CCN(CCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797226	1	48	0.0	-72.90	396.65	-1.78	-74.68
CCN(CCNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797226	1	48	0.0	-72.90	396.65	-1.78	-74.68
CCN(CCNC(=O)C1C[N@@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797245	0	54	0.0	-84.79	411.56	0.47	-84.32
CCN(CCNC(=O)C1C[N@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797245	1	54	0.0	-84.79	411.56	0.47	-84.32
CCN(CCNC(=O)C1CCC[N@H+](CC)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797250	0	54	0.0	-66.44	424.73	3.26	-63.18
CCN(CCNC(=O)C1CCC[N@@H+](CC)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797250	1	54	0.0	-66.44	424.73	3.26	-63.18
CCN(CCNC(=O)CC(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797252	0	53	0.0	-79.18	425.93	2.76	-76.42
CCN(CCNC(=O)C[N@H+](C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797259	0	47	0.0	-71.96	382.49	1.33	-70.63
CCN(CCNC(=O)C12CCC[N@@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797278	0	55	0.0	-67.00	424.28	3.33	-63.67
CCN(CCNC(=O)C12CCC[N@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797278	1	55	0.0	-67.00	424.28	3.33	-63.67
CCN(CCNC(=O)C12CCC[N@@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797283	0	53	0.0	-67.42	413.41	2.99	-64.43
CCN(CCNC(=O)C12CCC[N@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797283	1	53	0.0	-67.42	413.41	2.99	-64.43
CCN(CCNC(=O)C[N@H+](CC)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797302	0	51	0.0	-68.30	409.99	2.46	-65.84
CCN(CCNC(=O)CC[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797314	0	53	0.0	-73.27	426.73	2.70	-70.57
CCN(CCNC(=O)CN1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797333	0	51	0.0	-72.29	415.60	2.33	-69.96
CCN(CCNC(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797333	1	51	0.0	-72.29	415.60	2.33	-69.96
CCN(CCNC(=O)C[N@@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797355	0	52	0.0	-71.89	425.03	-0.81	-72.70
CCN(CCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797362	0	48	0.0	-77.04	404.75	2.00	-75.04
CCN(CCNC(=O)C(C)OCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797379	0	54	0.0	-73.93	444.44	2.54	-71.39
CCN(CCNC(=O)CCOCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797386	0	54	0.0	-73.41	445.61	1.58	-71.83
CCN(CCNC(=O)CN(C)CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797387	0	51	0.0	-72.52	419.12	0.62	-71.90
CCN(CCNC(=O)C[N@H+](C)CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797387	1	51	0.0	-72.80	418.89	0.62	-72.18
CCN(CCNC(=O)C[N@@H+](C)CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797387	1	51	0.0	-72.80	418.89	0.62	-72.18
CCN(CCNC(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797411	0	54	0.0	-76.40	419.91	2.99	-73.41
CCN(CCNC(=O)CCC(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797414	0	53	0.0	-73.41	426.14	2.54	-70.87
CCN(CCNC(=O)C1CCN1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797420	0	48	0.0	-71.40	396.39	1.69	-69.71
CCN(CCNC(=O)C1CC[N@@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797420	1	48	0.0	-69.64	389.56	1.39	-68.25
CCN(CCNC(=O)C1CC[N@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797420	1	48	0.0	-69.64	389.56	1.39	-68.25
CCN(CCNC(=O)C1CCC[N@@H+](C(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797428	0	57	0.0	-64.44	437.38	3.66	-60.78
CCN(CCNC(=O)C1CCC[N@H+](C(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797428	1	57	0.0	-64.44	437.38	3.66	-60.78
CCN(CCNC(=O)C[N@@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797439	0	52	0.0	-71.12	423.62	-0.67	-71.79
CCN(CCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797459	0	55	0.0	-71.87	432.26	3.42	-68.45
CCN(CCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797459	1	55	0.0	-71.87	432.26	3.42	-68.45
CCN(CCNC(=O)C1(C)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797465	0	54	0.0	-74.11	426.04	2.86	-71.25
CCN(CCNC(=O)C1=CC(C[NH+](C)C)=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797471	0	52	0.0	-79.20	435.18	2.12	-77.08
C=CCC(C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024797490	0	51	0.0	-67.38	412.45	2.27	-65.11
CCN(CCNC(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797499	0	54	0.0	-68.69	434.78	2.92	-65.77
CCN(CCNC(=O)C1CC(C)(C)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797499	1	54	0.0	-68.69	434.78	2.92	-65.77
CCN(CCNC(=O)CCCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797502	0	56	0.0	-75.71	455.65	3.70	-72.01
CCN(CCNC(=O)C1C[N@@H+]2CCN1C(C)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797532	0	54	0.0	-76.56	417.83	-0.34	-76.90
CCN(CCNC(=O)C1C[N@H+]2CCN1C(C)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797532	1	54	0.0	-76.56	417.83	-0.34	-76.90
CCCC(C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024797533	0	53	0.0	-68.84	420.69	2.56	-66.28
CCN(CCNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797537	0	50	0.0	-76.56	396.25	1.94	-74.62
CCN(CCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797570	0	51	0.0	-70.70	401.43	2.21	-68.49
CCN(CCNC(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797601	0	52	0.0	-70.36	423.88	2.99	-67.37
CCN(CCNC(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797601	1	52	0.0	-70.36	423.88	2.99	-67.37
CCN(CCNC(=O)CC1([NH+]2CCCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797609	0	55	0.0	-70.69	428.74	3.33	-67.36
CCN(CCNC(=O)C1=CC=C(CN(C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797646	0	51	0.0	-82.17	429.33	2.48	-79.69
CCN(CCNC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797646	1	51	0.0	-82.17	429.33	2.48	-79.69
CCN(CCNC(=O)C=CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797660	0	52	0.0	-76.12	425.31	2.94	-73.18
CCN(CCNC(=O)C1CC[NH+](C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797678	0	55	0.0	-74.43	434.21	3.53	-70.90
CCN(CCNC(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797697	0	51	0.0	-73.88	413.08	2.39	-71.49
CCN(CCNC(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797729	0	51	0.0	-82.15	401.03	-0.87	-83.02
CCN(CCNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797737	0	49	0.0	-76.50	396.80	1.86	-74.64
CCN(CCNC(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797748	0	52	0.0	-68.99	408.92	2.57	-66.42
CCN(CCNC(=O)C[N@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797748	1	52	0.0	-68.99	408.92	2.57	-66.42
CCN(CCNC(=O)C=C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797784	0	53	0.0	-68.56	424.92	3.18	-65.38
CCN(CCNC(=O)CN1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797794	0	50	0.0	-70.31	403.87	2.63	-67.68
CCN(CCNC(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797794	1	50	0.0	-67.85	407.87	2.66	-65.19
CCN(CCNC(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797794	1	50	0.0	-67.85	407.87	2.66	-65.19
CCN(CCNC(=O)C(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797834	0	50	0.0	-74.35	407.19	2.07	-72.28
CCN(CCNC(=O)CC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797895	0	54	0.0	-75.15	428.02	2.98	-72.17
CCN(CCNC(=O)CC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797895	1	54	0.0	-75.15	428.02	2.98	-72.17
CCN(CCNC(=O)CN1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797911	0	48	0.0	-70.93	396.09	1.74	-69.19
CCN(CCNC(=O)C[N@@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797911	1	48	0.0	-70.15	390.55	1.48	-68.67
CCN(CCNC(=O)C[N@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797911	1	48	0.0	-70.15	390.55	1.48	-68.67
CCN(CCNC(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797914	0	51	0.0	-78.66	421.49	-0.21	-78.87
CCN(CCNC(=O)C1CN(C)CC(C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797938	0	52	0.0	-79.80	420.23	1.83	-77.97
CCN(CCNC(=O)C1C[N@H+](C)CC(C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797938	1	52	0.0	-83.55	420.14	1.54	-82.01
CCN(CCNC(=O)C1C[N@@H+](C)CC(C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797938	1	52	0.0	-83.55	420.14	1.54	-82.01
CCC[N@@H+]1CCCCC1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797947	0	57	0.0	-67.40	446.04	3.65	-63.75
CCC[N@H+]1CCCCC1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797947	1	57	0.0	-67.40	446.04	3.65	-63.75
CCN(CCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024798003	0	51	0.0	-75.33	418.45	2.52	-72.81
CCN(CCNC(=O)C(C)CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024798010	0	53	0.0	-74.83	428.83	2.67	-72.16
C#CCN1CCCCC1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024798031	0	53	0.0	-67.57	436.06	3.59	-63.98
C#CC[N@H+]1CCCCC1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024798031	1	53	0.0	-70.24	422.63	3.31	-66.93
C#CC[N@@H+]1CCCCC1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024798031	1	53	0.0	-70.24	422.63	3.31	-66.93
CCN(CCNC(=O)CN1CCN(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024798034	0	53	0.0	-72.96	424.16	0.18	-72.78
CCN(CCNC(=O)CN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024798034	1	53	0.0	-72.96	424.16	0.18	-72.78
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024798211	0	48	0.0	-68.60	393.40	1.61	-66.99
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024798211	1	48	0.0	-72.64	384.90	1.12	-71.52
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300024798237	1	49	0.0	-70.62	396.50	0.89	-69.73
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300024798237	1	49	0.0	-83.02	399.74	0.89	-82.13
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCN1C=C[NH+]=C1C	REAL300024798394	1	52	0.0	-69.63	439.75	3.66	-65.97
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCOCC1	REAL300024798398	1	52	0.0	-76.70	420.03	0.66	-76.04
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+]1CCC2	REAL300024798416	0	52	0.0	-72.05	395.61	1.85	-70.20
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024798424	1	46	0.0	-78.21	393.89	3.83	-74.38
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC([NH+](C)C)C1	REAL300024798470	0	57	0.0	-65.57	434.88	3.15	-62.42
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300024798472	0	51	0.0	-73.64	414.95	2.36	-71.28
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300024798472	1	51	0.0	-73.88	415.77	2.34	-71.54
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[NH+]=CC=C1N(C)C	REAL300024798482	0	50	0.0	-77.01	423.70	0.53	-76.48
CCC(C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024798486	0	50	0.0	-67.50	392.41	1.49	-66.01
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300024798535	0	53	0.0	-75.63	430.12	2.77	-72.86
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C(C)C)[NH+](C)C	REAL300024798553	0	53	0.0	-67.64	405.19	1.99	-65.65
CCC[N@H+](C)CCC(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024798555	0	53	0.0	-74.24	430.38	2.72	-71.52
CCC[N@@H+](C)CCC(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024798555	1	53	0.0	-75.03	426.34	2.60	-72.43
CCC[N@H+](C)CC(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024798560	0	50	0.0	-70.98	408.01	2.12	-68.86
CCC[N@@H+](C)CC(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024798560	1	50	0.0	-70.98	408.01	2.12	-68.86
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@H+](C1)CCC2	REAL300024798580	0	52	0.0	-80.30	398.00	1.45	-78.85
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300024798580	1	52	0.0	-75.03	396.79	1.42	-73.61
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(C)CC1	REAL300024798629	0	54	0.0	-72.27	427.54	3.07	-69.20
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024798688	0	55	0.0	-70.41	432.66	3.26	-67.15
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024798688	1	55	0.0	-68.89	433.10	3.34	-65.55
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300024798697	0	51	0.0	-69.91	411.29	2.10	-67.81
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C(C)C)CC1	REAL300024798706	0	57	0.0	-71.52	441.30	3.13	-68.39
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CC	REAL300024798722	0	50	0.0	-74.21	404.85	1.85	-72.36
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CC	REAL300024798722	1	50	0.0	-73.37	408.88	1.99	-71.38
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300024798741	0	57	0.0	-69.05	421.24	2.92	-66.13
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCC1CC2	REAL300024798749	0	52	0.0	-80.76	402.65	2.11	-78.65
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024798808	0	51	0.0	-76.58	410.07	2.19	-74.39
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H](C(C)C)[NH+](C)C	REAL300024798826	0	53	0.0	-71.11	415.12	2.61	-68.50
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)C[NH+](CC)CC	REAL300024798906	0	53	0.0	-71.46	427.95	2.64	-68.82
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+](CC(C)C)C1	REAL300024798932	0	57	0.0	-70.23	445.51	3.34	-66.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+](CC(C)C)C1	REAL300024798932	1	57	0.0	-72.53	454.34	3.69	-68.84
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300024798935	0	51	0.0	-67.78	386.23	1.44	-66.34
CCC(C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024798965	0	56	0.0	-62.90	425.29	2.76	-60.14
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCCC1C	REAL300024798981	0	51	0.0	-67.61	407.52	2.10	-65.51
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCCC1C	REAL300024798981	1	51	0.0	-68.96	410.09	2.38	-66.58
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1CCCCCC1	REAL300024799026	0	57	0.0	-69.41	435.53	3.31	-66.10
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C(C)C	REAL300024799028	0	57	0.0	-65.56	429.56	2.79	-62.77
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C(C)C	REAL300024799028	1	57	0.0	-65.71	429.34	2.81	-62.90
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C(C)C	REAL300024799046	0	54	0.0	-68.07	418.20	2.82	-65.25
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C(C)C	REAL300024799046	1	54	0.0	-66.73	425.70	2.55	-64.18
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCC[N@@H+]1C(C)C	REAL300024799052	0	57	0.0	-67.05	435.37	2.76	-64.29
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCC[N@H+]1C(C)C	REAL300024799052	1	57	0.0	-63.47	439.72	2.92	-60.55
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C(C)C)[NH+](C)C	REAL300024799062	0	53	0.0	-68.42	409.10	2.02	-66.40
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)C1	REAL300024799080	0	51	0.0	-70.07	414.17	2.40	-67.67
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)C1	REAL300024799080	1	51	0.0	-70.43	414.13	2.47	-67.96
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024799084	0	54	0.0	-70.09	433.77	2.97	-67.12
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300024799084	1	54	0.0	-70.39	434.27	2.95	-67.44
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300024799085	0	56	0.0	-70.59	438.56	3.26	-67.33
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300024799085	1	56	0.0	-71.11	436.62	3.11	-68.00
CC[C@@H](C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024799093	0	50	0.0	-68.73	396.25	1.68	-67.05
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=C[NH+]=C1C	REAL300024799252	1	46	0.0	-68.89	394.18	2.20	-66.69
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCCC1	REAL300024799266	0	57	0.0	-73.15	453.83	3.95	-69.20
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024799278	1	50	0.0	-80.07	423.46	2.12	-77.95
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=C[NH+]=C1C(C)C	REAL300024799304	1	52	0.0	-66.34	434.42	3.46	-62.88
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300024799330	0	55	0.0	-64.75	430.14	3.32	-61.43
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC2CCC[N@H+]21	REAL300024799330	1	55	0.0	-63.94	430.57	3.34	-60.60
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](CC)CCO1	REAL300024799343	1	52	0.0	-80.87	417.71	1.57	-79.30
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](CC)CCO1	REAL300024799343	1	52	0.0	-81.27	417.54	1.53	-79.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024799381	0	46	0.0	-73.86	404.40	4.09	-69.77
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=[NH+]C=C1C	REAL300024799385	1	46	0.0	-69.68	397.50	3.02	-66.66
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024799394	0	51	0.0	-75.13	396.90	1.45	-73.68
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024799394	1	51	0.0	-72.72	406.71	1.85	-70.87
CC[C@@H]1[C@@H](C(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024799398	0	54	0.0	-74.18	423.33	2.27	-71.91
CC[C@@H]1[C@@H](C(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024799398	1	54	0.0	-70.45	423.29	2.58	-67.87
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1C(C)CCC1C	REAL300024799408	0	54	0.0	-67.03	425.94	2.61	-64.42
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCC1	REAL300024799412	0	54	0.0	-72.95	438.62	3.29	-69.66
C#CC[NH+]1CCC(C(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024799417	0	53	0.0	-77.03	433.50	3.32	-73.71
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCC1	REAL300024799418	0	54	0.0	-72.84	432.33	3.15	-69.69
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1CC	REAL300024799423	0	54	0.0	-68.63	417.03	2.36	-66.27
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1CC	REAL300024799423	1	54	0.0	-65.65	425.10	2.84	-62.81
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1([NH+](C)C)CCCC1	REAL300024799455	0	57	0.0	-75.11	432.58	3.19	-71.92
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300024799566	0	51	0.0	-69.24	414.90	2.68	-66.56
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300024799566	1	51	0.0	-69.85	410.97	2.58	-67.27
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1C(C)CCC1C	REAL300024799583	0	57	0.0	-66.35	434.99	2.95	-63.40
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+]1CCCC1	REAL300024799594	0	57	0.0	-73.67	460.11	4.07	-69.60
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024799603	0	51	0.0	-76.58	410.07	2.19	-74.39
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024799637	0	48	0.0	-68.60	393.38	1.60	-67.00
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024799637	1	48	0.0	-71.03	387.76	1.21	-69.82
C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024799656	1	50	0.0	-67.05	415.23	2.48	-64.57
C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024799656	1	50	0.0	-69.53	416.76	2.71	-66.82
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL300024799661	0	54	0.0	-71.81	426.70	2.66	-69.15
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL300024799661	1	54	0.0	-74.84	436.13	3.25	-71.59
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+](CCC1)C2	REAL300024799668	0	55	0.0	-72.72	413.46	2.34	-70.38
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300024799671	0	55	0.0	-66.32	432.54	3.50	-62.82
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCCC[N@H+]21	REAL300024799671	1	55	0.0	-67.84	430.37	3.23	-64.61
CCC[N@@H+]1CCCC(C(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024799730	0	57	0.0	-64.61	440.40	3.76	-60.85
CCC[N@H+]1CCCC(C(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024799730	1	57	0.0	-71.39	447.96	3.52	-67.87
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024799763	0	51	0.0	-67.42	407.01	2.18	-65.24
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024799763	1	51	0.0	-71.66	397.42	1.77	-69.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1CC(C)C	REAL300024799781	0	57	0.0	-64.72	447.89	3.56	-61.16
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1CC(C)C	REAL300024799781	1	57	0.0	-69.03	447.62	3.38	-65.65
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+](C)C1C	REAL300024799832	0	51	0.0	-69.77	407.43	1.83	-67.94
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+](C)C1C	REAL300024799832	1	51	0.0	-71.27	409.40	2.41	-68.86
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@@H+]1C	REAL300024799834	0	57	0.0	-74.98	442.73	3.50	-71.48
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@H+]1C	REAL300024799834	1	57	0.0	-76.55	442.75	3.49	-73.06
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024799911	0	54	0.0	-68.24	407.28	1.99	-66.25
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300024799911	1	54	0.0	-67.21	415.74	1.54	-65.67
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL300024799929	0	47	0.0	-69.06	382.65	0.98	-68.08
C=CCC(C)(C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024799943	0	54	0.0	-65.46	405.51	2.01	-63.45
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024799963	0	51	0.0	-72.91	417.11	2.48	-70.43
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024799973	1	48	0.0	-72.09	392.83	-1.98	-74.07
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024799973	1	48	0.0	-71.29	396.64	-1.86	-73.15
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300024800002	0	54	0.0	-76.34	416.72	0.30	-76.04
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300024800002	1	54	0.0	-75.67	413.99	-0.11	-75.78
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@H+](C)CC1	REAL300024800046	0	52	0.0	-70.98	427.93	3.08	-67.90
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300024800046	1	52	0.0	-69.01	427.96	3.08	-65.93
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)CC[S+](C)C	REAL300024800060	0	50	0.0	-80.33	426.63	0.07	-80.26
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024800078	0	52	0.0	-68.10	399.11	-2.49	-70.59
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC(O)C[N@H+]1C	REAL300024800078	1	52	0.0	-68.98	402.98	-2.30	-71.28
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300024800087	0	56	0.0	-69.83	435.01	0.50	-69.33
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024800087	1	56	0.0	-72.63	434.91	0.01	-72.62
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)C1	REAL300024800115	1	48	0.0	-71.94	396.02	1.68	-70.26
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](CC)C1	REAL300024800121	0	54	0.0	-66.08	418.29	2.94	-63.14
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](CC)C1	REAL300024800121	1	54	0.0	-71.10	424.84	2.72	-68.38
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300024800136	0	52	0.0	-67.00	419.99	2.91	-64.09
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C1CC1	REAL300024800136	1	52	0.0	-65.50	419.97	2.83	-62.67
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300024800171	0	52	0.0	-74.98	430.36	3.09	-71.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300024800189	0	55	0.0	-73.84	438.06	3.58	-70.26
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CC	REAL300024800226	0	47	0.0	-70.81	386.51	1.39	-69.42
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC2C=CC1C2	REAL300024800269	0	50	0.0	-67.56	408.11	2.61	-64.95
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024800269	1	50	0.0	-69.22	407.92	2.67	-66.55
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300024800269	1	50	0.0	-69.22	407.92	2.67	-66.55
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300024800369	0	55	0.0	-66.22	410.00	1.87	-64.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@H+]1CCCC2	REAL300024800369	1	55	0.0	-66.22	410.00	1.87	-64.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300024800375	0	53	0.0	-66.09	405.88	2.35	-63.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300024800375	1	53	0.0	-66.09	405.88	2.35	-63.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)OCC[NH+](C)C	REAL300024800384	0	54	0.0	-73.51	437.73	2.20	-71.31
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCOCC[NH+](C)C	REAL300024800392	0	54	0.0	-72.94	441.58	1.42	-71.52
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN(C)CCOC	REAL300024800394	0	51	0.0	-72.29	415.08	0.43	-71.86
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCOC	REAL300024800394	1	51	0.0	-70.97	418.90	0.54	-70.43
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCOC	REAL300024800394	1	51	0.0	-70.97	418.90	0.54	-70.43
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC(C)[NH+](C)C	REAL300024800399	0	53	0.0	-73.02	422.11	2.39	-70.63
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](CC)C1CC1	REAL300024800419	0	51	0.0	-67.20	414.02	2.52	-64.68
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300024800432	0	54	0.0	-75.95	417.94	-0.62	-76.57
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024800452	0	49	0.0	-72.42	385.15	1.84	-70.58
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300024800465	0	52	0.0	-67.88	412.96	2.62	-65.26
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2CCC1C2	REAL300024800465	1	52	0.0	-67.88	412.96	2.62	-65.26
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)C[NH+](C)C	REAL300024800484	0	50	0.0	-63.82	400.03	1.71	-62.11
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCN1CC	REAL300024800526	0	48	0.0	-68.97	389.38	1.27	-67.70
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1CC	REAL300024800526	1	48	0.0	-68.99	394.40	1.49	-67.50
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1CC	REAL300024800526	1	48	0.0	-68.99	394.40	1.49	-67.50
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C(C)C)C1	REAL300024800536	0	57	0.0	-70.78	444.52	3.33	-67.45
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C(C)C)C1	REAL300024800536	1	57	0.0	-70.78	444.52	3.33	-67.45
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH2+]C(C)(C)CC	REAL300024800546	0	56	0.0	-66.69	425.04	0.83	-65.86
C#CCN1CCCCC1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024800583	0	53	0.0	-68.66	420.96	2.86	-65.80
C#CC[N@H+]1CCCCC1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024800583	1	53	0.0	-66.45	432.62	3.37	-63.08
C#CC[N@@H+]1CCCCC1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024800583	1	53	0.0	-66.45	432.62	3.37	-63.08
CCCC(C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024800594	0	53	0.0	-68.14	413.92	2.27	-65.87
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024800601	0	50	0.0	-65.90	377.88	1.00	-64.90
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)CC[NH+](C)C	REAL300024800619	0	53	0.0	-71.68	423.61	2.31	-69.37
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024800671	0	53	0.0	-72.73	415.76	2.94	-69.79
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024800698	0	54	0.0	-67.59	429.51	2.58	-65.01
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300024800698	1	54	0.0	-67.59	429.51	2.58	-65.01
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCCC[NH+](C)C	REAL300024800701	0	56	0.0	-75.00	451.61	3.55	-71.45
CCC[N@@H+]1CCCCC1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024800707	0	57	0.0	-67.46	448.17	3.66	-63.80
CCC[N@H+]1CCCCC1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024800707	1	57	0.0	-67.46	448.17	3.66	-63.80
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCN(C)CC1	REAL300024800716	0	53	0.0	-71.54	428.30	0.24	-71.30
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC[NH+](C)CC1	REAL300024800716	1	53	0.0	-71.54	428.30	0.24	-71.30
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CC(C)O1	REAL300024800792	0	52	0.0	-82.36	414.41	1.66	-80.70
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CC(C)O1	REAL300024800792	1	52	0.0	-79.75	416.46	1.71	-78.04
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CC(C)O1	REAL300024800792	1	52	0.0	-79.75	416.46	1.71	-78.04
CCC1CCC[N@H+](CC(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024800819	0	57	0.0	-71.17	449.78	3.82	-67.35
CCC1CCC[N@@H+](CC(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024800819	1	57	0.0	-71.17	449.78	3.82	-67.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024800839	0	49	0.0	-71.02	404.11	2.59	-68.43
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300024800850	0	55	0.0	-68.83	433.88	3.52	-65.31
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024800881	0	51	0.0	-71.66	397.42	1.77	-69.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024800976	0	49	0.0	-75.87	407.69	2.36	-73.51
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024800976	1	49	0.0	-75.87	407.69	2.36	-73.51
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC1=CC=[NH+]C=C1	REAL300024800981	0	47	0.0	-72.30	404.50	-0.01	-72.31
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300024801031	0	53	0.0	-67.85	425.94	3.20	-64.65
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCCC1	REAL300024801061	0	54	0.0	-72.77	407.03	2.05	-70.72
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300024801074	0	55	0.0	-66.08	417.69	2.73	-63.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024801085	0	48	0.0	-69.54	393.37	1.56	-67.98
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024801085	1	48	0.0	-69.54	393.37	1.56	-67.98
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024801206	0	51	0.0	-73.89	415.02	2.37	-71.52
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC([NH+](C)C)CC1	REAL300024801217	0	57	0.0	-77.60	443.10	3.30	-74.30
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CC[NH+](C)C)CC1	REAL300024801218	0	54	0.0	-72.28	436.55	3.01	-69.27
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024801219	0	57	0.0	-63.95	436.64	3.18	-60.77
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@@H+]1C	REAL300024801220	0	52	0.0	-66.32	414.96	2.76	-63.56
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@H+]1C	REAL300024801220	1	52	0.0	-75.91	420.14	2.83	-73.08
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300024801270	0	51	0.0	-73.45	420.62	1.72	-71.73
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=CSC1=[NH2+]	REAL300024801307	0	44	0.0	-68.60	391.82	0.77	-67.83
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H](C)OCC[NH+](C)C	REAL300024801371	0	54	0.0	-66.85	437.04	2.20	-64.65
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCCC1	REAL300024801401	0	57	0.0	-75.06	442.80	3.39	-71.67
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300024801406	0	51	0.0	-72.59	403.36	1.82	-70.77
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300024801406	1	51	0.0	-72.59	403.36	1.82	-70.77
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCCC1	REAL300024801407	0	54	0.0	-71.54	415.83	2.65	-68.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024801412	0	46	0.0	-68.97	400.01	4.23	-64.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(CN(C)C)O1	REAL300024801427	0	51	0.0	-81.79	428.71	2.58	-79.21
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024801427	1	51	0.0	-81.79	428.71	2.58	-79.21
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC(O)CC1	REAL300024801442	0	52	0.0	-75.67	421.59	-0.76	-76.43
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(O)CC1	REAL300024801442	1	52	0.0	-75.67	421.59	-0.76	-76.43
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024801446	0	48	0.0	-68.17	398.05	2.13	-66.04
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)N1CCN(C)CC1	REAL300024801448	0	56	0.0	-74.60	441.73	0.52	-74.08
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)N1CC[NH+](C)CC1	REAL300024801448	1	56	0.0	-74.60	441.73	0.52	-74.08
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+]1CCC(F)C1	REAL300024801450	0	51	0.0	-74.69	423.12	2.55	-72.14
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(C)C[NH+](C)C	REAL300024801472	0	53	0.0	-75.11	421.94	2.64	-72.47
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300024801484	0	53	0.0	-68.04	421.32	1.00	-67.04
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]2CCOCC12	REAL300024801484	1	53	0.0	-68.04	421.32	1.00	-67.04
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCCN1C	REAL300024801500	0	52	0.0	-70.40	407.88	0.30	-70.10
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCC[N@@H+]1C	REAL300024801500	1	52	0.0	-78.78	419.52	0.59	-78.19
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCC[N@H+]1C	REAL300024801500	1	52	0.0	-78.78	419.52	0.59	-78.19
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024801591	0	52	0.0	-69.72	424.81	-0.86	-70.58
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024801621	0	48	0.0	-73.43	400.22	1.57	-71.86
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300024801625	0	55	0.0	-71.13	437.82	3.39	-67.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300024801625	1	55	0.0	-71.13	437.82	3.39	-67.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300024801657	0	51	0.0	-73.29	415.19	-1.38	-74.67
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300024801657	1	51	0.0	-73.29	415.19	-1.38	-74.67
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@@H+]1C	REAL300024801675	0	54	0.0	-74.28	427.86	2.93	-71.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@H+]1C	REAL300024801675	1	54	0.0	-74.28	427.86	2.93	-71.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC1C	REAL300024801694	0	48	0.0	-69.75	400.12	1.79	-67.96
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC1C	REAL300024801694	1	48	0.0	-70.28	400.09	1.79	-68.49
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC1C	REAL300024801694	1	48	0.0	-70.28	400.09	1.79	-68.49
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024801705	0	48	0.0	-76.77	403.00	1.94	-74.83
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC(C)(C)C1	REAL300024801715	0	51	0.0	-71.44	419.39	2.33	-69.11
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024801715	1	51	0.0	-71.44	419.39	2.33	-69.11
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=NC(C)=C(C)N1	REAL300024801728	0	52	0.0	-68.16	434.99	1.92	-66.24
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=[NH+]C(C)=C(C)N1	REAL300024801728	1	52	0.0	-68.16	434.99	1.92	-66.24
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSCC[NH+](C)C	REAL300024801745	0	51	0.0	-79.00	431.65	2.58	-76.42
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCCC1CO	REAL300024801767	0	52	0.0	-68.15	414.65	-0.74	-68.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](CC)CC	REAL300024801771	0	50	0.0	-70.53	400.97	1.96	-68.57
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC1	REAL300024801781	0	45	0.0	-71.31	378.88	1.13	-70.18
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024801781	1	45	0.0	-71.31	378.88	1.13	-70.18
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+](CC)CC	REAL300024801819	0	53	0.0	-73.80	418.36	2.28	-71.52
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024801873	0	52	0.0	-77.68	428.59	2.64	-75.04
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300024801893	0	53	0.0	-71.53	423.05	0.90	-70.63
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2COCC[N@H+]2C1	REAL300024801893	1	53	0.0	-71.53	423.05	0.90	-70.63
CCC(CC(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024801908	0	56	0.0	-75.69	436.09	3.09	-72.60
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300024801916	0	53	0.0	-67.66	396.64	1.65	-66.01
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024801966	0	51	0.0	-71.63	397.07	1.75	-69.88
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+]2CCN1CC2C	REAL300024801978	0	54	0.0	-73.33	418.07	-0.67	-74.00
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(O)C[NH+](C)C	REAL300024801998	0	51	0.0	-77.76	417.24	-0.34	-78.10
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300024802000	0	55	0.0	-66.07	415.86	2.51	-63.56
C=CCC(C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024802028	0	51	0.0	-66.71	405.91	1.97	-64.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024802034	0	55	0.0	-68.89	433.10	3.34	-65.55
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024802034	1	55	0.0	-68.89	433.10	3.34	-65.55
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC[NH+](C)CC1	REAL300024802045	0	54	0.0	-68.21	412.03	2.17	-66.04
CCN(CCNC(=O)CSC(N)=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024802070	0	42	0.0	-74.85	376.71	-2.26	-77.11
CCN(CCNC(=O)C1CCC([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802106	0	57	0.0	-79.31	443.58	3.50	-75.81
CCN(CCNC(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802107	0	54	0.0	-81.35	443.20	3.29	-78.06
CCN(CCNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802108	0	57	0.0	-65.96	437.06	3.36	-62.60
CCN(CCNC(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802109	0	52	0.0	-76.69	420.03	2.84	-73.85
CCN(CCNC(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802109	1	52	0.0	-75.76	420.00	2.84	-72.92
CCN(CCNC(=O)[C@@H](C)OCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802130	0	54	0.0	-72.81	440.42	2.41	-70.40
CCN(CCNC(=O)C1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802153	0	55	0.0	-70.49	411.72	3.33	-67.16
CCC1C[NH+](CC(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024802243	1	51	0.0	-72.97	417.41	2.52	-70.45
CCN(CCNC(=O)C1([NH+]2CCCC2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802245	0	55	0.0	-74.21	424.77	3.37	-70.84
CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802252	0	48	0.0	-69.71	384.76	1.22	-68.49
CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802252	1	48	0.0	-68.92	391.05	1.74	-67.18
CCN(CCNC(=O)CC[N@@H+]1CCC(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802259	0	51	0.0	-78.46	422.83	2.55	-75.91
CCN(CCNC(=O)CC[N@H+]1CCC(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802259	1	51	0.0	-76.02	419.35	2.48	-73.54
CCN(CCNC(=O)CC[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802273	0	57	0.0	-75.38	442.81	3.41	-71.97
CCN(CCNC(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802275	0	51	0.0	-71.75	406.87	2.55	-69.20
CCN(CCNC(=O)C1CC[N@H+](C)C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802283	0	51	0.0	-72.28	411.00	2.22	-70.06
CCN(CCNC(=O)C1CC[N@@H+](C)C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802283	1	51	0.0	-70.64	409.98	1.99	-68.65
CCN(CCNC(=O)CCC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802285	0	57	0.0	-71.91	449.82	3.70	-68.21
CCN(CCNC(=O)CCC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802285	1	57	0.0	-72.45	450.14	3.72	-68.73
CCN(CCNC(=O)C1CC[N@@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802306	0	53	0.0	-68.88	423.88	1.10	-67.78
CCN(CCNC(=O)C1CC[N@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802306	1	53	0.0	-70.83	424.01	1.11	-69.72
CCN(CCNC(=O)CC1COCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802322	1	52	0.0	-66.64	411.91	0.46	-66.18
CCN(CCNC(=O)CC1COCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802322	1	52	0.0	-70.05	411.92	0.46	-69.59
CCN(CCNC(=O)CCC1=[NH+]C(C)=C(C)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802329	1	52	0.0	-68.48	439.02	2.07	-66.41
CCOCC(N=[N+]=[N-])C(=O)NCCN(CC)C(=O)CSC1=NC(=O)NN1	REAL300024802333	0	48	0.0	-23.70	421.96	-2.93	-26.63
CCN(CCNC(=O)CSCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802397	0	51	0.0	-79.44	435.68	2.72	-76.72
CCN(CCNC(=O)C1CC2COCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802403	0	53	0.0	-70.99	427.20	1.17	-69.82
CCN(CCNC(=O)C1CC2COCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802403	1	53	0.0	-74.43	427.52	1.11	-73.32
C[N@@H+]1CCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802564	0	49	0.0	-69.15	397.46	1.82	-67.33
C[N@H+]1CCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802564	1	49	0.0	-69.77	397.40	1.92	-67.85
C[N@@H+]1CCOC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024802588	1	50	0.0	-72.50	401.60	1.16	-71.34
C[N@H+]1CCOC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024802588	1	50	0.0	-73.34	401.87	1.13	-72.21
CC(C)[N@@H+]1CCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802732	0	55	0.0	-68.20	429.58	2.91	-65.29
CC(C)[N@H+]1CCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802732	1	55	0.0	-69.90	424.15	3.10	-66.80
CC1=[NH+]C=CN1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802755	1	47	0.0	-70.71	401.06	2.46	-68.25
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1C[NH+]2CCC1CC2	REAL300024802775	0	53	0.0	-83.04	412.76	2.68	-80.36
C[C@@H]1[C@H](C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024802803	0	52	0.0	-79.84	408.19	1.78	-78.06
C[C@@H]1[C@H](C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024802803	1	52	0.0	-75.96	414.47	2.11	-73.85
CC[C@@H]1[C@@H](C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024802805	0	55	0.0	-75.18	428.51	2.59	-72.59
CC[C@@H]1[C@@H](C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024802805	1	55	0.0	-74.62	432.17	3.11	-71.51
CC[N@@H+]1CCOC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024802810	1	53	0.0	-86.85	426.78	1.94	-84.91
CC[N@H+]1CCOC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024802810	1	53	0.0	-72.93	419.65	1.77	-71.16
CC1CCC(C)[NH+]1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802855	0	55	0.0	-69.61	428.50	2.73	-66.88
O=C(CCC[NH+]1CCCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802857	0	55	0.0	-75.86	441.45	3.38	-72.48
O=C(CC[NH+]1CCCCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802860	0	55	0.0	-75.30	435.16	3.25	-72.05
CC[N@@H+]1CCCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802863	0	55	0.0	-67.62	430.92	3.14	-64.48
CC[N@H+]1CCCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802863	1	55	0.0	-67.34	431.08	3.08	-64.26
C[NH+](C)C1(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024802873	0	52	0.0	-54.81	392.69	4.00	-50.81
CC(C)[C@@H](C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024802879	0	54	0.0	-69.58	417.21	2.37	-67.21
C[N@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024802897	0	52	0.0	-70.73	417.31	2.86	-67.87
C[N@@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024802897	1	52	0.0	-71.31	417.21	2.85	-68.46
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802951	1	51	0.0	-71.60	417.91	2.63	-68.97
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802951	1	51	0.0	-71.68	423.51	3.17	-68.51
C[N@@H+]1CCCC1CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802956	0	55	0.0	-78.82	434.91	3.23	-75.59
C[N@H+]1CCCC1CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802956	1	55	0.0	-73.97	433.29	2.89	-71.08
C[NH+]1CCC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024802972	0	52	0.0	-79.34	415.65	2.55	-76.79
C[N@@H+]1CCCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802999	0	52	0.0	-70.55	404.30	2.29	-68.26
C[N@H+]1CCCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024802999	1	52	0.0	-71.53	404.48	2.29	-69.24
O=C(CC[NH+]1CCOCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803052	1	53	0.0	-78.51	426.89	0.85	-77.66
CC1=C[NH+]=CN1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803064	1	47	0.0	-73.68	400.86	3.22	-70.46
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C12CCC[NH+]1CCC2	REAL300024803080	0	53	0.0	-75.51	415.80	2.86	-72.65
C[N@@H+]1CCC(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803085	0	52	0.0	-78.76	417.54	2.47	-76.29
C[N@H+]1CCC(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803085	1	52	0.0	-78.84	418.07	2.44	-76.40
CCC(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024803091	0	51	0.0	-71.09	405.46	2.04	-69.05
C[NH+](C)CCCCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803138	0	54	0.0	-78.26	436.46	3.00	-75.26
CC(C)C(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024803149	0	54	0.0	-73.11	420.96	3.05	-70.06
CCC[N@H+](C)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803150	0	54	0.0	-76.76	433.22	2.81	-73.95
CCC[N@@H+](C)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803150	1	54	0.0	-76.83	433.22	2.80	-74.03
CCC[N@H+](C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803153	0	51	0.0	-73.39	410.85	2.25	-71.14
CCC[N@@H+](C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803153	1	51	0.0	-73.23	410.32	2.29	-70.94
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300024803166	0	53	0.0	-75.71	413.13	2.08	-73.63
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300024803166	1	53	0.0	-76.60	413.58	2.04	-74.56
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803188	0	49	0.0	-74.16	391.85	1.41	-72.75
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803188	1	49	0.0	-70.71	397.94	1.90	-68.81
CC[NH+](CC)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803215	0	51	0.0	-71.71	402.20	1.98	-69.73
CC1CC[NH+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024803268	0	55	0.0	-73.82	434.19	3.33	-70.49
C[NH+](C)CC1(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024803286	0	52	0.0	-66.01	402.48	3.40	-62.61
C[NH+]1CCC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024803332	0	52	0.0	-79.34	415.65	2.55	-76.79
CC(C)[C@H](C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024803347	0	54	0.0	-50.88	416.13	4.03	-46.85
CCC(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024803374	0	57	0.0	-66.06	437.79	3.23	-62.83
CC[N@H+](C)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803404	0	51	0.0	-76.01	411.72	2.06	-73.95
CC[N@@H+](C)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803404	1	51	0.0	-76.07	411.72	2.06	-74.01
CC1CCC[N@@H+]1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803427	0	52	0.0	-69.64	417.37	2.53	-67.11
CC1CCC[N@H+]1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803427	1	52	0.0	-70.36	416.48	2.66	-67.70
CC1CC[N@H+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803428	0	52	0.0	-71.83	417.57	2.53	-69.30
CC1CC[N@@H+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803428	1	52	0.0	-72.16	416.93	2.53	-69.63
CC1(C)CC[N@H+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803430	0	55	0.0	-72.34	436.13	3.14	-69.20
CC1(C)CC[N@@H+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803430	1	55	0.0	-71.91	436.23	3.12	-68.79
C[N@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024803431	0	57	0.0	-74.04	438.55	3.33	-70.71
C[N@@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024803431	1	57	0.0	-73.08	441.58	3.46	-69.62
CC[C@@H](C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024803438	0	51	0.0	-68.79	401.94	1.89	-66.90
C[NH+](C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803510	0	45	0.0	-73.77	371.62	0.84	-72.93
O=C(C[NH+]1CCCCCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803513	0	55	0.0	-72.03	422.17	2.93	-69.10
CN1C=C[N+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024803516	0	47	0.0	-70.77	402.33	4.39	-66.38
C[N@@H+]1CCCC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803520	0	52	0.0	-74.85	415.63	2.50	-72.35
C[N@H+]1CCCC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803520	1	52	0.0	-65.65	409.68	2.71	-62.94
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300024803525	0	53	0.0	-73.00	424.64	2.88	-70.12
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300024803525	1	53	0.0	-67.54	426.55	3.34	-64.20
CC(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024803537	1	49	0.0	-70.76	399.32	1.91	-68.85
CCC(CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024803541	0	57	0.0	-77.66	443.34	3.34	-74.32
C[NH+](C)CC(C)(C)C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803546	0	54	0.0	-67.51	418.62	2.54	-64.97
O=C(C[NH+]1CCC(O)CC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803557	1	53	0.0	-77.56	425.13	-0.61	-78.17
C[N@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024803558	0	49	0.0	-71.00	401.03	2.25	-68.75
C[N@@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024803558	1	49	0.0	-70.69	401.03	2.25	-68.44
C[NH+]1CC(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803572	0	49	0.0	-74.81	403.07	1.67	-73.14
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803582	0	55	0.0	-73.33	415.52	2.48	-70.85
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803582	1	55	0.0	-69.33	432.81	2.63	-66.70
C[C@@H](C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024803592	0	48	0.0	-71.17	389.66	1.26	-69.91
[N-]=[N+]=NCC(=O)NCC1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300024803599	0	39	0.0	-26.02	348.06	-3.53	-29.55
[NH2+]=C1SC=CN1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803641	0	45	0.0	-70.46	398.70	1.02	-69.44
C[N@H+](CCO)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803646	0	52	0.0	-75.38	421.54	-1.13	-76.51
C[N@@H+](CCO)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803646	1	52	0.0	-75.02	421.92	-1.15	-76.17
C[C@@H](C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024803647	0	48	0.0	-71.17	389.66	1.26	-69.91
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803650	0	52	0.0	-71.52	403.91	2.32	-69.20
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803650	1	52	0.0	-70.46	413.15	2.45	-68.01
O=C(C[NH+]1CCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803695	1	46	0.0	-74.05	381.73	1.27	-72.78
C[N@@H+]1CCC(=CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803709	0	50	0.0	-78.61	409.45	2.40	-76.21
C[N@H+]1CCC(=CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803709	1	50	0.0	-78.19	410.44	2.38	-75.81
C[NH+](C)CCOCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803729	0	52	0.0	-75.52	427.50	1.90	-73.62
C=CCC(C)(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024803740	0	55	0.0	-81.16	426.34	3.19	-77.97
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803757	0	53	0.0	-59.03	410.08	-0.16	-59.19
CC1CN(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803774	0	49	0.0	-74.52	401.21	2.03	-72.49
CC1C[NH+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803774	1	49	0.0	-74.52	401.21	2.03	-72.49
CN(CCO)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803791	0	49	0.0	-73.78	399.70	-1.73	-75.51
C[N@H+](CCO)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803791	1	49	0.0	-74.21	399.70	-1.68	-75.89
C[N@@H+](CCO)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803791	1	49	0.0	-74.21	399.70	-1.68	-75.89
CC[N@@H+]1CCCC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803810	0	55	0.0	-73.22	433.79	3.13	-70.09
CC[N@H+]1CCCC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803810	1	55	0.0	-73.22	433.79	3.13	-70.09
CC(CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024803812	0	54	0.0	-77.47	428.29	2.87	-74.60
CC[N@H+](C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803815	0	48	0.0	-73.00	388.82	1.55	-71.45
CC[N@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024803839	0	52	0.0	-70.54	416.76	2.89	-67.65
CC[NH+](CC)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803847	0	54	0.0	-74.74	429.78	2.79	-71.95
CC1(O)CC[N@H+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024803877	0	53	0.0	-74.01	427.80	-0.75	-74.76
C[NH+](C)CC=CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803880	0	49	0.0	-79.22	408.86	2.09	-77.13
COCCN(C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803893	0	52	0.0	-74.10	421.95	0.73	-73.37
COCC[N@H+](C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803893	1	52	0.0	-74.02	421.95	0.68	-73.34
COCC[N@@H+](C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803893	1	52	0.0	-74.02	421.95	0.68	-73.34
C[NH+](C)C1(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024803910	0	55	0.0	-57.83	409.31	4.25	-53.58
CC(CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024803912	0	54	0.0	-78.35	424.17	2.60	-75.75
CCN1CCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803918	0	49	0.0	-70.77	395.05	1.74	-69.03
CC[N@@H+]1CCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803918	1	49	0.0	-73.00	402.73	1.90	-71.10
CC[N@H+]1CCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803918	1	49	0.0	-73.00	402.73	1.90	-71.10
O=C(C[N@H+]1CCCC1CO)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803928	0	53	0.0	-71.70	420.97	-1.07	-72.77
C[NH+]1CCC(C)(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024803944	0	55	0.0	-70.12	428.88	2.92	-67.20
C=CCC(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024803960	0	52	0.0	-68.04	414.94	2.31	-65.73
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803967	0	55	0.0	-70.40	431.89	2.47	-67.93
C[NH+](C)CCCCCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803969	0	57	0.0	-77.67	457.96	3.78	-73.89
CCCC(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024803986	0	54	0.0	-73.99	426.69	2.80	-71.19
C[NH+](C)C(C)(C)C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803989	0	51	0.0	-79.63	399.07	2.02	-77.61
C[N@@H+]1CCCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804012	0	52	0.0	-71.53	404.48	2.29	-69.24
C[N@H+]1CC=C(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024804031	0	53	0.0	-71.05	430.26	3.20	-67.85
C[N@@H+]1CC=C(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024804031	1	53	0.0	-71.05	430.26	3.20	-67.85
O=C(C=CC[NH+]1CCCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804061	0	53	0.0	-77.94	432.19	3.11	-74.83
O=C(CC[NH+]1CCCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804088	0	52	0.0	-76.27	418.35	2.45	-73.82
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1C[NH+]2CCN1CC2	REAL300024804109	0	52	0.0	-79.17	408.09	-0.76	-79.93
C[N@@H+]1CC2CC1(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024804113	0	50	0.0	-54.83	384.98	3.16	-51.67
O=C(C[N@@H+]1CC2CCC1C2)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804118	0	53	0.0	-70.70	417.75	2.96	-67.74
O=C(C[N@H+]1CC2CCC1C2)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804118	1	53	0.0	-70.70	417.75	2.96	-67.74
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804153	1	51	0.0	-69.60	410.92	2.72	-66.88
O=C(C[N@H+]1CC2C=CC1C2)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804153	1	51	0.0	-71.49	410.85	2.84	-68.65
CC(C[NH+](C)C)C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804183	0	51	0.0	-66.52	409.43	2.28	-64.24
C[N@@H+]1CCCCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804222	0	55	0.0	-64.12	423.06	2.92	-61.20
C[N@H+]1CCCCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804222	1	55	0.0	-67.54	423.30	2.90	-64.64
CC(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024804231	1	52	0.0	-70.60	420.82	2.53	-68.07
CC1CC[N@@H+]1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804233	1	49	0.0	-71.25	397.59	1.68	-69.57
CC1CC[N@H+]1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804233	1	49	0.0	-71.61	402.66	1.95	-69.66
C[NH+](C)CC(O)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804235	0	52	0.0	-80.80	423.57	-0.09	-80.89
CC1C[N@H+](C)CC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024804252	1	53	0.0	-81.70	422.78	1.90	-79.80
CC1C[N@@H+](C)CC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024804252	1	53	0.0	-88.65	429.95	2.06	-86.59
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024804290	0	52	0.0	-77.01	421.12	2.57	-74.44
CC(CC[NH+](C)C)C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804294	0	54	0.0	-76.13	431.65	2.74	-73.39
C[NH+]1CCN(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024804309	1	54	0.0	-74.11	430.65	0.35	-73.76
C[N@@H+]1CCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024804479	0	49	0.0	-69.18	395.80	1.73	-67.45
C[N@H+]1CCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024804479	1	49	0.0	-72.48	389.72	1.27	-71.21
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CC[NH+]1CCOCC1	REAL300024804653	1	53	0.0	-77.36	426.40	0.85	-76.51
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C12CCC[NH+]1CCC2	REAL300024804661	0	53	0.0	-61.16	404.76	2.92	-58.24
C[N@@H+]1CCC(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024804684	0	52	0.0	-74.13	418.36	2.43	-71.70
C[N@H+]1CCC(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024804684	1	52	0.0	-75.02	417.89	2.42	-72.60
CCC(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024804690	0	51	0.0	-63.20	397.17	2.68	-60.52
C[NH+](C)CCCCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024804722	0	54	0.0	-76.10	436.71	2.99	-73.11
CC(C)C(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024804735	0	54	0.0	-70.22	416.45	2.31	-67.91
CCC[N@H+](C)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024804736	0	54	0.0	-74.73	433.18	2.77	-71.96
CCC[N@@H+](C)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024804736	1	54	0.0	-74.71	433.18	2.77	-71.94
CCC[N@H+](C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024804739	0	51	0.0	-71.39	410.82	2.20	-69.19
CCC[N@@H+](C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024804739	1	51	0.0	-71.44	410.82	2.20	-69.24
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300024804752	0	53	0.0	-75.04	404.65	1.62	-73.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300024804752	1	53	0.0	-67.18	400.69	2.43	-64.75
CC1CC[NH+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024804777	0	55	0.0	-72.85	433.69	3.26	-69.59
C[NH+](C)CC1(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024804814	0	52	0.0	-67.45	412.30	3.24	-64.21
CC[N@H+](C)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024804831	0	51	0.0	-74.03	411.72	2.03	-72.00
CC[N@@H+](C)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024804831	1	51	0.0	-74.50	411.19	2.05	-72.45
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1C[NH+]2CCC1CC2	REAL300024804843	0	53	0.0	-77.47	410.16	2.41	-75.06
C[NH+]1CCC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024804881	0	52	0.0	-72.90	408.82	3.15	-69.75
CC(C)[C@H](C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024804896	0	54	0.0	-68.01	412.36	3.24	-64.77
C[NH+](C)C1(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024804959	0	52	0.0	-71.77	395.43	2.67	-69.10
CCC(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024804986	0	57	0.0	-60.80	428.35	3.64	-57.16
CC1CCC[N@@H+]1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024804995	0	52	0.0	-68.33	410.06	2.18	-66.15
CC1CCC[N@H+]1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024804995	1	52	0.0	-68.93	416.76	2.57	-66.36
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805022	0	55	0.0	-62.56	407.60	3.75	-58.81
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805022	1	55	0.0	-64.39	412.98	3.62	-60.77
CC(C)[C@@H](C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024805029	0	54	0.0	-68.40	410.37	3.26	-65.14
CC1CC[N@H+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024805039	0	52	0.0	-71.32	416.88	2.54	-68.78
CC1CC[N@@H+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024805039	1	52	0.0	-71.39	416.69	2.55	-68.84
CC1(C)CC[N@H+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024805041	0	55	0.0	-71.06	436.21	3.05	-68.01
CC1(C)CC[N@@H+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024805041	1	55	0.0	-71.67	436.64	3.07	-68.60
C[N@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024805042	0	57	0.0	-71.26	440.43	3.20	-68.06
C[N@@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024805042	1	57	0.0	-70.78	441.94	3.36	-67.42
CC[C@@H](C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024805049	0	51	0.0	-63.16	397.74	2.56	-60.60
CC1=[NH+]C=CN1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805129	1	47	0.0	-68.82	400.76	2.42	-66.40
CC[N@@H+]1CCOC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024805172	1	53	0.0	-72.62	414.64	1.46	-71.16
CC[N@H+]1CCOC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024805172	1	53	0.0	-82.52	421.55	1.62	-80.90
CC1=C[NH+]=CN1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805192	1	47	0.0	-70.48	400.06	3.12	-67.36
C[C@@H]1[C@H](C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024805197	0	52	0.0	-77.34	406.91	1.75	-75.59
C[C@@H]1[C@H](C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024805197	1	52	0.0	-71.86	412.65	2.27	-69.59
CC[C@@H]1[C@@H](C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024805199	0	55	0.0	-75.54	423.62	2.30	-73.24
CC[C@@H]1[C@@H](C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024805199	1	55	0.0	-73.11	430.82	2.73	-70.38
CC1CCC(C)[NH+]1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805204	0	55	0.0	-63.68	424.83	3.53	-60.15
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CCC[NH+]1CCCC1	REAL300024805206	0	55	0.0	-73.96	440.96	3.38	-70.58
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CC[NH+]1CCCCC1	REAL300024805210	0	55	0.0	-73.20	435.60	3.25	-69.95
CC[N@@H+]1CCCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805213	0	55	0.0	-64.62	416.92	3.59	-61.03
CC[N@H+]1CCCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805213	1	55	0.0	-69.27	417.51	2.52	-66.75
C[N@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024805293	0	52	0.0	-69.47	417.55	2.79	-66.68
C[N@@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024805293	1	52	0.0	-70.10	417.45	2.77	-67.33
C[NH+]1CCC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024805317	0	52	0.0	-72.90	408.82	3.15	-69.75
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805339	0	49	0.0	-70.05	389.54	1.27	-68.78
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805339	1	49	0.0	-63.05	389.00	2.47	-60.58
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805356	1	51	0.0	-67.96	417.12	2.53	-65.43
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805356	1	51	0.0	-69.69	421.61	2.94	-66.75
C[N@@H+]1CCCC1CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805361	0	55	0.0	-77.57	438.79	3.33	-74.24
C[N@H+]1CCCC1CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805361	1	55	0.0	-71.61	433.24	2.87	-68.74
C[N@@H+]1CCCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805424	0	52	0.0	-61.83	407.75	3.14	-58.69
C[N@H+]1CCCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805424	1	52	0.0	-65.28	400.12	2.83	-62.45
CC1C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024805473	0	52	0.0	-71.13	410.04	1.89	-69.24
CC1C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024805473	1	52	0.0	-70.63	414.13	2.19	-68.44
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805523	0	55	0.0	-67.55	407.44	2.45	-65.10
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805523	1	55	0.0	-68.03	432.98	2.52	-65.51
C[C@@H](C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024805536	0	48	0.0	-70.98	387.50	1.19	-69.79
C=CCC(C)(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024805548	0	55	0.0	-66.95	411.09	3.01	-63.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CC[NH+]1CCCC1	REAL300024805560	0	52	0.0	-73.92	418.32	2.44	-71.48
C[N@H+](CCO)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805568	1	49	0.0	-72.72	399.67	-1.78	-74.50
C[N@@H+](CCO)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805568	1	49	0.0	-71.72	399.68	-1.75	-73.47
C[N@H+]1CC=C(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024805614	0	53	0.0	-70.93	430.71	3.14	-67.79
C[N@@H+]1CC=C(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024805614	1	53	0.0	-69.09	430.49	3.17	-65.92
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805632	0	53	0.0	-74.18	405.95	-0.71	-74.89
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805632	1	53	0.0	-60.81	405.05	-1.47	-62.28
CC1C[NH+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024805658	1	49	0.0	-71.46	403.07	1.90	-69.56
CC[N@@H+]1CCCC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024805664	0	55	0.0	-64.85	422.46	2.95	-61.90
CC[N@H+]1CCCC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024805664	1	55	0.0	-64.24	423.81	3.00	-61.24
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300024805675	0	53	0.0	-72.37	422.08	2.75	-69.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300024805675	1	53	0.0	-64.86	409.36	3.36	-61.50
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C=CC[NH+]1CCCC1	REAL300024805696	0	53	0.0	-75.52	433.43	3.21	-72.31
CC[N@H+](C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805733	0	48	0.0	-71.63	389.08	1.47	-70.16
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CN1CC2C=CC1C2	REAL300024805762	0	51	0.0	-67.04	410.99	2.68	-64.36
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024805762	1	51	0.0	-69.51	410.84	2.77	-66.74
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300024805762	1	51	0.0	-69.51	410.84	2.77	-66.74
COCCN(C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805837	0	52	0.0	-71.83	421.46	0.65	-71.18
COCC[N@H+](C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805837	1	52	0.0	-73.04	421.92	0.62	-72.42
COCC[N@@H+](C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805837	1	52	0.0	-73.04	421.92	0.62	-72.42
CC(CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024805840	0	54	0.0	-78.82	424.50	2.60	-76.22
CC[N@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024805853	0	52	0.0	-66.96	408.78	3.58	-63.38
C[N@@H+]1CC2CC1(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024805878	0	50	0.0	-71.95	394.32	2.72	-69.23
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300024805885	0	53	0.0	-69.32	417.97	2.89	-66.43
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300024805885	1	53	0.0	-69.32	417.97	2.89	-66.43
CC(C[NH+](C)C)C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805898	0	51	0.0	-59.11	405.02	2.65	-56.46
CCN1CCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805926	0	49	0.0	-71.26	403.07	1.79	-69.47
CC[N@@H+]1CCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805926	1	49	0.0	-68.98	395.07	1.37	-67.61
CC[N@H+]1CCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805926	1	49	0.0	-68.98	395.07	1.37	-67.61
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805932	0	57	0.0	-62.22	431.13	1.94	-60.28
CCCC(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024805962	0	54	0.0	-69.93	418.88	2.47	-67.46
C[NH+](C)C(C)(C)C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805966	0	51	0.0	-69.73	386.01	2.43	-67.30
CC(CC[NH+](C)C)C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024805979	0	54	0.0	-64.72	425.49	3.26	-61.46
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806027	0	55	0.0	-72.00	430.16	2.36	-69.64
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806027	1	55	0.0	-72.00	430.16	2.36	-69.64
C[NH+](C)CCCCCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806029	0	57	0.0	-75.75	457.99	3.77	-71.98
CN1CCN(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024806036	0	54	0.0	-71.35	430.89	0.29	-71.06
C[NH+]1CCN(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024806036	1	54	0.0	-71.35	430.89	0.29	-71.06
CC1CN(C)CC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024806077	0	53	0.0	-82.40	414.63	1.98	-80.42
CC1C[N@H+](C)CC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024806077	1	53	0.0	-83.53	414.94	2.15	-81.38
CC1C[N@@H+](C)CC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024806077	1	53	0.0	-83.53	414.94	2.15	-81.38
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300024806104	0	50	0.0	-71.83	407.06	2.69	-69.14
C[N@@H+]1CCCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806121	0	52	0.0	-65.28	400.12	2.83	-62.45
C[N@@H+]1CCC(=CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024806179	0	50	0.0	-76.59	408.05	2.37	-74.22
C[N@H+]1CCC(=CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024806179	1	50	0.0	-76.37	408.82	2.38	-73.99
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300024806181	0	48	0.0	-73.52	407.07	0.09	-73.43
[N-]=[N+]=NCC(=O)N1CCCC1CNC(=O)CSC1=NC(=O)NN1	REAL300024806204	0	39	0.0	-25.71	348.06	-3.58	-29.29
C[NH+](C)C1(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024806231	0	55	0.0	-73.68	407.22	3.28	-70.40
CCC1C[NH+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024806238	0	52	0.0	-73.12	423.71	2.65	-70.47
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806247	0	49	0.0	-69.43	394.34	1.66	-67.77
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806247	1	49	0.0	-69.31	390.41	1.32	-67.99
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024806325	0	52	0.0	-72.66	420.44	2.55	-70.11
C[NH+](C)CCC1(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024806333	0	55	0.0	-73.35	439.60	4.00	-69.35
C[N@@H+]1CC=CCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806334	0	53	0.0	-77.12	422.53	2.92	-74.20
C[N@H+]1CC=CCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806334	1	53	0.0	-66.62	417.53	2.84	-63.78
C[NH+](C)CCOCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806362	0	52	0.0	-72.39	427.01	1.89	-70.50
[NH2+]=C1SC=CN1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806386	0	45	0.0	-66.73	398.66	0.98	-65.75
C[N@@H+]1CCCC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024806442	0	52	0.0	-73.96	411.18	2.13	-71.83
C[N@H+]1CCCC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024806442	1	52	0.0	-73.96	411.18	2.13	-71.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[NH+]1CCCCCC1	REAL300024806443	0	55	0.0	-71.48	424.91	3.20	-68.28
CN1C=C[N+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024806446	0	47	0.0	-68.44	402.82	4.31	-64.13
C[N@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024806466	0	49	0.0	-68.52	400.85	2.19	-66.33
CC(CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024806484	0	54	0.0	-75.51	428.32	2.85	-72.66
CN1CCOCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806501	0	53	0.0	-66.40	414.47	0.51	-65.89
C[N@@H+]1CCOCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806501	1	53	0.0	-66.47	414.20	0.52	-65.95
C[N@H+]1CCOCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806501	1	53	0.0	-66.47	414.20	0.52	-65.95
CC1(O)CC[N@H+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024806562	0	53	0.0	-70.21	427.70	-0.76	-70.97
C[NH+]1CC(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024806583	0	49	0.0	-74.43	402.58	1.66	-72.77
C[N@H+](CCO)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806606	0	52	0.0	-73.47	421.96	-1.18	-74.65
C[N@@H+](CCO)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806606	1	52	0.0	-73.47	421.96	-1.18	-74.65
C[N@@H+]1CCCCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806621	0	55	0.0	-62.80	423.31	2.87	-59.93
C[N@H+]1CCCCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806621	1	55	0.0	-62.80	423.31	2.87	-59.93
CC1CCN1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806633	0	49	0.0	-69.24	397.42	1.61	-67.63
CC1CC[N@@H+]1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806633	1	49	0.0	-70.41	402.65	1.93	-68.48
CC1CC[N@H+]1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806633	1	49	0.0	-70.41	402.65	1.93	-68.48
C[NH+](C)CC=CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806639	0	49	0.0	-76.52	408.35	2.05	-74.47
CC1(C)CN(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024806644	0	52	0.0	-72.31	421.72	2.39	-69.92
CC1(C)C[NH+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024806644	1	52	0.0	-72.31	421.72	2.39	-69.92
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[N@H+]1CCCC1CO	REAL300024806678	0	53	0.0	-71.46	424.32	-0.62	-72.08
CC[NH+](CC)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806680	0	51	0.0	-70.51	402.24	1.89	-68.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CN1CCC1	REAL300024806689	0	46	0.0	-72.49	381.64	1.30	-71.19
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[NH+]1CCC1	REAL300024806689	1	46	0.0	-72.49	381.64	1.30	-71.19
CC[NH+](CC)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806717	0	54	0.0	-73.96	424.68	2.49	-71.47
CCC(CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024806772	0	57	0.0	-77.36	446.60	3.42	-73.94
C[NH+](C)CC(C)(C)C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806777	0	54	0.0	-59.40	404.16	2.84	-56.56
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806806	0	52	0.0	-61.81	407.11	3.19	-58.62
C[NH+](C)CC(O)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024806825	0	52	0.0	-78.89	423.61	-0.18	-79.07
C=CCC(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024806845	0	52	0.0	-66.07	410.93	2.16	-63.91
C[NH+]1CCC(C)(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024806856	0	55	0.0	-62.12	415.57	3.05	-59.07
NC(=[NH2+])SCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024806877	0	43	0.0	-76.64	379.63	-2.26	-78.90
C[NH+](C)CCC1(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024806900	0	55	0.0	-65.00	430.35	5.13	-59.87
C[N@@H+]1CC=CCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024806901	0	53	0.0	-64.66	417.51	2.87	-61.79
C[N@H+]1CC=CCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024806901	1	53	0.0	-64.66	417.51	2.87	-61.79
CCC1C[NH+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024806982	1	52	0.0	-74.54	423.95	2.68	-71.86
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024806987	1	49	0.0	-74.19	391.19	1.42	-72.77
O=C(C[NH+]1CCCCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024807004	0	52	0.0	-73.10	413.35	2.71	-70.39
CC1C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024807009	0	52	0.0	-74.55	412.79	2.07	-72.48
CC1C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024807009	1	52	0.0	-77.96	409.10	2.16	-75.80
CN1CCOCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024807037	0	53	0.0	-81.04	422.03	0.67	-80.37
C[N@@H+]1CCOCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024807037	1	53	0.0	-81.31	421.95	0.71	-80.60
C[N@H+]1CCOCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024807037	1	53	0.0	-81.04	422.03	0.67	-80.37
CCOCC(N=[N+]=[N-])C(=O)NCC1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300024807044	0	49	0.0	-24.61	424.81	-2.87	-27.48
C[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807249	0	49	0.0	-67.67	401.73	1.80	-65.87
C[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807249	1	49	0.0	-67.27	401.79	1.76	-65.51
C[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024807273	1	50	0.0	-77.94	412.71	1.20	-76.74
C[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024807273	1	50	0.0	-70.86	405.44	1.06	-69.80
CC(C)[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807417	0	55	0.0	-65.54	434.06	2.90	-62.64
CC(C)[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807417	1	55	0.0	-66.03	434.28	2.84	-63.19
CC1=[NH+]C=CN1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807440	1	47	0.0	-67.44	404.74	2.37	-65.07
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024807460	0	53	0.0	-72.49	416.57	2.59	-69.90
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024807488	0	52	0.0	-70.89	412.86	1.95	-68.94
C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024807488	1	52	0.0	-70.16	417.43	2.22	-67.94
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024807490	0	55	0.0	-70.94	431.89	2.44	-68.50
CC[C@@H]1[C@@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024807490	1	55	0.0	-71.27	437.34	2.79	-68.48
CC[N@@H+]1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024807495	1	53	0.0	-73.82	423.19	1.70	-72.12
CC[N@H+]1CCOC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024807495	1	53	0.0	-74.02	423.37	1.68	-72.34
CC1CCC(C)[NH+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807540	0	55	0.0	-66.72	433.24	2.82	-63.90
O=C(CCC[NH+]1CCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807542	0	55	0.0	-71.54	443.52	3.18	-68.36
O=C(CC[NH+]1CCCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807545	0	55	0.0	-71.37	438.86	3.16	-68.21
CC[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807548	0	55	0.0	-66.60	434.93	3.02	-63.58
CC[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807548	1	55	0.0	-67.35	425.73	2.81	-64.54
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024807558	0	52	0.0	-70.34	409.38	1.94	-68.40
CC(C)[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024807564	0	54	0.0	-67.35	419.53	2.30	-65.05
C[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024807582	0	52	0.0	-68.61	421.52	2.74	-65.87
C[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024807582	1	52	0.0	-68.60	421.43	2.73	-65.87
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807636	1	51	0.0	-68.33	421.80	2.55	-65.78
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807636	1	51	0.0	-68.58	426.52	3.05	-65.53
C[N@@H+]1CCCC1CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807641	0	55	0.0	-72.20	442.74	3.22	-68.98
C[N@H+]1CCCC1CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807641	1	55	0.0	-70.65	437.31	2.75	-67.90
C[NH+]1CCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024807657	0	52	0.0	-74.34	419.89	2.41	-71.93
C[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807684	0	52	0.0	-66.90	417.34	2.31	-64.59
C[N@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807684	1	52	0.0	-67.76	407.82	2.20	-65.56
O=C(CC[NH+]1CCOCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807737	1	53	0.0	-74.54	430.58	0.76	-73.78
CC1=C[NH+]=CN1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807749	1	47	0.0	-69.89	404.02	3.05	-66.84
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C23CCC[NH+]2CCC3)C1	REAL300024807765	0	53	0.0	-69.84	419.76	2.76	-67.08
C[N@@H+]1CCC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024807770	0	52	0.0	-73.41	421.69	2.37	-71.04
C[N@H+]1CCC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024807770	1	52	0.0	-72.68	421.62	2.37	-70.31
CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024807776	0	51	0.0	-68.34	405.97	1.75	-66.59
C[NH+](C)CCCCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807823	0	54	0.0	-73.46	440.67	2.90	-70.56
CC(C)C(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024807834	0	54	0.0	-68.07	424.93	2.81	-65.26
CCC[N@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807835	0	54	0.0	-72.59	436.90	2.71	-69.88
CCC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807835	1	54	0.0	-72.51	436.90	2.70	-69.81
CCC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807838	0	51	0.0	-70.58	414.54	2.17	-68.41
CCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807838	1	51	0.0	-70.56	414.53	2.16	-68.40
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024807851	0	53	0.0	-71.23	417.69	1.94	-69.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024807851	1	53	0.0	-75.58	416.02	2.11	-73.47
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807873	0	49	0.0	-68.50	395.15	1.33	-67.17
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807873	1	49	0.0	-67.31	400.20	1.85	-65.46
CC[NH+](CC)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807900	0	51	0.0	-68.88	406.90	1.83	-67.05
CC1CC[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024807953	0	55	0.0	-70.68	438.26	3.25	-67.43
C[NH+](C)CC1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024807971	0	52	0.0	-73.88	426.00	2.42	-71.46
C[NH+]1CCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024808017	0	52	0.0	-74.34	419.89	2.41	-71.93
CC(C)[C@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024808032	0	54	0.0	-68.61	418.91	2.29	-66.32
CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024808059	0	57	0.0	-64.56	441.48	3.05	-61.51
CC[N@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808089	0	51	0.0	-71.86	415.40	1.97	-69.89
CC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808089	1	51	0.0	-71.77	415.40	1.96	-69.81
CC1CCC[N@@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808112	0	52	0.0	-67.10	413.84	2.15	-64.95
CC1CCC[N@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808112	1	52	0.0	-67.76	420.46	2.53	-65.23
CC1CC[N@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808113	0	52	0.0	-69.71	420.58	2.50	-67.21
CC1CC[N@@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808113	1	52	0.0	-69.92	420.73	2.47	-67.45
CC1(C)CC[N@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808115	0	55	0.0	-69.56	440.39	3.02	-66.54
CC1(C)CC[N@@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808115	1	55	0.0	-69.67	440.72	3.03	-66.64
C[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024808116	0	57	0.0	-70.47	443.14	3.16	-67.31
C[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024808116	1	57	0.0	-70.02	445.08	3.31	-66.71
CC[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024808123	0	51	0.0	-67.45	405.55	1.77	-65.68
C[NH+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808195	0	45	0.0	-70.93	375.31	0.75	-70.18
O=C(C[NH+]1CCCCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808198	0	55	0.0	-70.00	426.38	2.81	-67.19
CN1C=C[N+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024808201	0	47	0.0	-68.96	406.54	4.26	-64.70
C[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808205	0	52	0.0	-71.16	419.94	2.35	-68.81
C[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808205	1	52	0.0	-66.23	413.69	2.55	-63.68
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024808210	0	53	0.0	-65.36	432.59	3.30	-62.06
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024808210	1	53	0.0	-66.87	425.60	2.63	-64.24
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024808222	1	49	0.0	-67.79	403.45	1.81	-65.98
CCC(CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024808226	0	57	0.0	-67.26	450.55	3.37	-63.89
C[NH+](C)CC(C)(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808231	0	54	0.0	-70.59	424.45	2.61	-67.98
O=C(C[NH+]1CCC(O)CC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808242	1	53	0.0	-74.10	428.50	-0.72	-74.82
C[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024808243	0	49	0.0	-67.61	404.57	2.16	-65.45
C[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024808243	1	49	0.0	-68.33	404.71	2.16	-66.17
C[NH+]1CC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808257	0	49	0.0	-71.37	406.75	1.58	-69.79
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808267	0	55	0.0	-66.59	436.75	2.46	-64.13
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808267	1	55	0.0	-67.20	420.97	1.91	-65.29
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024808277	0	48	0.0	-68.56	393.20	1.17	-67.39
[N-]=[N+]=NCC(=O)NCC1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024808284	0	39	0.0	-23.91	352.27	-3.65	-27.56
[NH2+]=C1SC=CN1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808326	0	45	0.0	-67.46	402.38	0.94	-66.52
C[N@H+](CCO)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808331	0	52	0.0	-71.58	425.76	-1.26	-72.84
C[N@@H+](CCO)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808331	1	52	0.0	-71.40	425.74	-1.27	-72.67
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024808332	0	48	0.0	-68.56	393.20	1.17	-67.39
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808335	0	52	0.0	-67.95	407.97	2.18	-65.77
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808335	1	52	0.0	-67.78	417.10	2.37	-65.41
O=C(C[NH+]1CCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808380	1	46	0.0	-70.72	385.40	1.18	-69.54
C[N@@H+]1CCC(=CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808394	0	50	0.0	-74.39	413.05	2.33	-72.06
C[N@H+]1CCC(=CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808394	1	50	0.0	-74.46	413.04	2.34	-72.12
C[NH+](C)CCOCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808414	0	52	0.0	-71.15	431.19	1.81	-69.34
C=CCC(C)(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024808425	0	55	0.0	-70.05	427.06	2.57	-67.48
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808442	0	53	0.0	-75.05	423.50	-1.17	-76.22
CC1CN(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808459	0	49	0.0	-70.68	406.69	1.80	-68.88
CC1C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808459	1	49	0.0	-70.68	406.69	1.80	-68.88
CN(CCO)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808476	0	49	0.0	-70.75	403.39	-1.82	-72.57
C[N@H+](CCO)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808476	1	49	0.0	-70.81	403.17	-1.82	-72.63
C[N@@H+](CCO)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808476	1	49	0.0	-70.81	403.17	-1.82	-72.63
CC[N@@H+]1CCCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808495	0	55	0.0	-65.44	431.28	3.23	-62.21
CC[N@H+]1CCCC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808495	1	55	0.0	-65.44	431.28	3.23	-62.21
CC(CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024808497	0	54	0.0	-75.07	432.45	2.73	-72.34
CC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808500	0	48	0.0	-70.07	393.04	1.43	-68.64
CC[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024808524	0	52	0.0	-67.65	421.67	2.73	-64.92
CC[NH+](CC)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808532	0	54	0.0	-70.84	433.25	2.68	-68.16
CC1(C)CN(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808546	0	52	0.0	-70.40	425.91	2.37	-68.03
CC1(C)C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808546	1	52	0.0	-70.40	425.91	2.37	-68.03
CC1(O)CC[N@H+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808562	0	53	0.0	-70.81	431.70	-0.80	-71.61
C[NH+](C)CC=CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808565	0	49	0.0	-75.01	411.27	1.96	-73.05
COCCN(C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808578	0	52	0.0	-70.71	425.42	0.58	-70.13
COCC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808578	1	52	0.0	-70.90	425.64	0.59	-70.31
COCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808578	1	52	0.0	-70.90	425.64	0.59	-70.31
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024808595	0	55	0.0	-69.96	427.53	3.24	-66.72
CC(CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024808597	0	54	0.0	-73.78	428.65	2.49	-71.29
CCN1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808603	0	49	0.0	-69.47	406.97	1.73	-67.74
CC[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808603	1	49	0.0	-69.12	406.78	1.80	-67.32
CC[N@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808603	1	49	0.0	-69.12	406.78	1.80	-67.32
O=C(C[N@H+]1CCCC1CO)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808613	0	53	0.0	-69.06	428.35	-0.60	-69.66
C[NH+]1CCC(C)(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024808629	0	55	0.0	-71.33	432.60	2.80	-68.53
C=CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024808645	0	52	0.0	-67.84	418.98	2.23	-65.61
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808652	0	55	0.0	-68.02	435.71	2.35	-65.67
C[N@H+]1CC(C)(C)CC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808652	1	55	0.0	-68.02	435.71	2.35	-65.67
C[NH+](C)CCCCCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808654	0	57	0.0	-73.11	462.17	3.68	-69.43
CCCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024808671	0	54	0.0	-68.46	427.34	2.51	-65.95
C[NH+](C)C(C)(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808674	0	51	0.0	-72.20	402.74	1.91	-70.29
C[N@@H+]1CCCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808697	0	52	0.0	-67.76	407.82	2.20	-65.56
C[N@H+]1CC=C(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024808716	0	53	0.0	-69.80	434.30	3.10	-66.70
C[N@@H+]1CC=C(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024808716	1	53	0.0	-69.80	434.30	3.10	-66.70
O=C(C=CC[NH+]1CCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808746	0	53	0.0	-73.86	437.61	3.16	-70.70
O=C(CC[NH+]1CCCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808773	0	52	0.0	-71.31	423.63	2.48	-68.83
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024808794	0	52	0.0	-74.14	411.69	-0.80	-74.94
C[N@@H+]1CC2CC1(C(=O)NCC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024808798	0	50	0.0	-70.76	405.44	2.10	-68.66
O=C(C[N@@H+]1CC2CCC1C2)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808803	0	53	0.0	-68.50	421.75	2.81	-65.69
O=C(C[N@H+]1CC2CCC1C2)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808803	1	53	0.0	-68.50	421.75	2.81	-65.69
O=C(CN1CC2C=CC1C2)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808838	0	51	0.0	-68.68	414.47	2.68	-66.00
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808838	1	51	0.0	-66.97	414.39	2.63	-64.34
O=C(C[N@H+]1CC2C=CC1C2)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808838	1	51	0.0	-66.97	414.39	2.63	-64.34
CC(C[NH+](C)C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808868	0	51	0.0	-71.80	413.71	2.02	-69.78
C[N@@H+]1CCCCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808907	0	55	0.0	-71.97	434.41	2.97	-69.00
C[N@H+]1CCCCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808907	1	55	0.0	-71.97	434.41	2.97	-69.00
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300024808916	0	52	0.0	-67.94	424.04	2.40	-65.54
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024808916	1	52	0.0	-67.94	424.04	2.40	-65.54
CC1CCN1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808918	0	49	0.0	-68.62	401.13	1.54	-67.08
CC1CC[N@@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808918	1	49	0.0	-68.85	406.50	1.86	-66.99
CC1CC[N@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808918	1	49	0.0	-68.85	406.50	1.86	-66.99
C[NH+](C)CC(O)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808920	0	52	0.0	-75.44	427.92	-0.19	-75.63
CC1CN(C)CC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024808937	0	53	0.0	-80.44	433.86	1.93	-78.51
CC1C[N@H+](C)CC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024808937	1	53	0.0	-78.60	433.99	1.90	-76.70
CC1C[N@@H+](C)CC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024808937	1	53	0.0	-78.60	433.99	1.90	-76.70
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024808975	0	52	0.0	-70.64	425.08	2.44	-68.20
CC(CC[NH+](C)C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808979	0	54	0.0	-72.50	435.35	2.64	-69.86
CN1CCN(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024808994	0	54	0.0	-71.51	434.71	0.27	-71.24
C[NH+]1CCN(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024808994	1	54	0.0	-71.51	434.71	0.27	-71.24
C[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809164	0	49	0.0	-72.21	393.99	1.15	-71.06
C[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809164	1	49	0.0	-70.26	397.36	1.59	-68.67
C[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024809190	1	50	0.0	-81.97	407.97	0.99	-80.98
C[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024809190	1	50	0.0	-74.43	400.47	0.80	-73.63
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024809338	1	53	0.0	-77.94	430.59	0.74	-77.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024809346	0	53	0.0	-68.33	411.35	2.05	-66.28
C[N@@H+]1CCC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024809369	0	52	0.0	-76.64	421.90	2.28	-74.36
C[N@H+]1CCC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024809369	1	52	0.0	-76.44	421.68	2.29	-74.15
CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024809375	0	51	0.0	-71.94	405.73	1.77	-70.17
C[NH+](C)CCCCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809407	0	54	0.0	-76.69	440.68	2.88	-73.81
CC(C)C(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024809420	0	54	0.0	-70.47	415.67	2.10	-68.37
CCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809421	0	54	0.0	-75.98	436.91	2.68	-73.30
CCC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809421	1	54	0.0	-75.97	436.91	2.70	-73.27
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809424	0	51	0.0	-72.96	414.45	2.14	-70.82
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809424	1	51	0.0	-73.01	414.64	2.07	-70.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024809437	0	53	0.0	-75.84	407.80	1.54	-74.30
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024809437	1	53	0.0	-75.71	407.92	1.50	-74.21
CC1CC[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024809462	0	55	0.0	-73.22	437.76	3.21	-70.01
C[NH+](C)CC1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024809499	0	52	0.0	-73.99	421.92	2.18	-71.81
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809516	0	51	0.0	-75.20	415.41	1.94	-73.26
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809516	1	51	0.0	-75.18	415.41	1.95	-73.23
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024809528	0	53	0.0	-80.18	412.18	2.25	-77.93
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024809566	0	52	0.0	-78.13	418.82	2.26	-75.87
CC(C)[C@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024809581	0	54	0.0	-71.71	419.07	2.20	-69.51
C[NH+](C)C1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024809644	0	52	0.0	-73.86	402.06	1.69	-72.17
CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024809671	0	57	0.0	-66.46	436.53	2.83	-63.63
CC1CCC[N@@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809680	0	52	0.0	-69.70	421.35	2.37	-67.33
CC1CCC[N@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809680	1	52	0.0	-70.12	420.70	2.46	-67.66
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809707	0	55	0.0	-70.54	425.10	2.91	-67.63
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809707	1	55	0.0	-70.46	425.94	3.08	-67.38
CC(C)[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024809714	0	54	0.0	-69.58	419.30	2.21	-67.37
CC1CC[N@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024809724	0	52	0.0	-72.00	420.65	2.39	-69.61
CC1CC[N@@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024809724	1	52	0.0	-72.26	420.57	2.48	-69.78
CC1(C)CC[N@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024809726	0	55	0.0	-72.43	440.72	2.99	-69.44
CC1(C)CC[N@@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024809726	1	55	0.0	-72.00	440.28	2.90	-69.10
C[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024809727	0	57	0.0	-72.89	443.06	3.14	-69.75
C[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024809727	1	57	0.0	-72.71	445.18	3.22	-69.49
CC[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024809734	0	51	0.0	-71.35	404.73	1.73	-69.62
CC1=[NH+]C=CN1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809814	1	47	0.0	-70.18	403.77	2.25	-67.93
CC[N@@H+]1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024809857	1	53	0.0	-80.08	425.62	1.65	-78.43
CC[N@H+]1CCOC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024809857	1	53	0.0	-82.48	425.39	1.62	-80.86
CC1=C[NH+]=CN1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809877	1	47	0.0	-72.61	404.08	2.97	-69.64
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024809882	0	52	0.0	-77.99	411.10	1.61	-76.38
C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024809882	1	52	0.0	-76.62	417.16	1.88	-74.74
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024809884	0	55	0.0	-75.45	427.93	2.19	-73.26
CC[C@@H]1[C@@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024809884	1	55	0.0	-72.77	431.21	2.72	-70.05
CC1CCC(C)[NH+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809889	0	55	0.0	-69.08	432.33	2.74	-66.34
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024809891	0	55	0.0	-74.58	443.61	3.12	-71.46
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024809895	0	55	0.0	-74.56	439.32	3.17	-71.39
CC[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809898	0	55	0.0	-71.42	425.59	2.58	-68.84
CC[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024809898	1	55	0.0	-68.65	433.44	2.93	-65.72
C[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024809978	0	52	0.0	-70.74	421.60	2.66	-68.08
C[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024809978	1	52	0.0	-71.04	421.35	2.71	-68.33
C[NH+]1CCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024810002	0	52	0.0	-78.13	418.82	2.26	-75.87
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810024	0	49	0.0	-72.25	394.00	1.15	-71.10
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810024	1	49	0.0	-70.31	397.60	1.52	-68.79
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810041	1	51	0.0	-70.27	420.60	2.43	-67.84
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810041	1	51	0.0	-70.48	423.17	2.84	-67.64
C[N@@H+]1CCCC1CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810046	0	55	0.0	-76.87	442.77	3.23	-73.64
C[N@H+]1CCCC1CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810046	1	55	0.0	-73.39	437.23	2.77	-70.62
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810109	0	52	0.0	-72.37	407.65	1.92	-70.45
C[N@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810109	1	52	0.0	-69.30	414.73	2.16	-67.14
CC1C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024810158	0	52	0.0	-74.13	416.04	2.17	-71.96
CC1C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024810158	1	52	0.0	-74.74	415.89	2.25	-72.49
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810208	0	55	0.0	-70.50	414.75	1.78	-68.72
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810208	1	55	0.0	-69.59	436.70	2.45	-67.14
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024810221	0	48	0.0	-71.65	390.23	1.02	-70.63
C=CCC(C)(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024810233	0	55	0.0	-73.47	415.43	2.37	-71.10
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024810245	0	52	0.0	-74.69	423.70	2.42	-72.27
C[N@H+](CCO)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810253	1	49	0.0	-73.60	403.49	-1.90	-75.50
C[N@@H+](CCO)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810253	1	49	0.0	-73.33	403.07	-1.83	-75.16
C[N@H+]1CC=C(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024810299	0	53	0.0	-73.09	434.36	3.09	-70.00
C[N@@H+]1CC=C(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024810299	1	53	0.0	-71.43	434.50	3.02	-68.41
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810317	0	53	0.0	-70.03	416.20	-1.73	-71.76
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810317	1	53	0.0	-71.56	414.54	-2.00	-73.56
CC1C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024810343	1	49	0.0	-73.25	406.66	1.77	-71.48
CC[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024810349	0	55	0.0	-65.80	426.73	2.91	-62.89
CC[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024810349	1	55	0.0	-73.51	436.61	2.82	-70.69
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024810360	0	53	0.0	-67.56	427.10	2.94	-64.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024810360	1	53	0.0	-70.14	424.25	2.52	-67.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024810381	0	53	0.0	-77.51	435.00	2.98	-74.53
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810418	0	48	0.0	-72.68	393.13	1.33	-71.35
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300024810447	0	51	0.0	-69.11	414.95	2.55	-66.56
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024810447	1	51	0.0	-69.28	414.67	2.59	-66.69
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024810447	1	51	0.0	-69.28	414.67	2.59	-66.69
COCCN(C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810522	0	52	0.0	-73.05	425.32	0.57	-72.48
COCC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810522	1	52	0.0	-73.79	425.74	0.50	-73.29
COCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810522	1	52	0.0	-73.79	425.74	0.50	-73.29
CC(CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024810525	0	54	0.0	-77.85	428.80	2.43	-75.42
CC[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024810538	0	52	0.0	-69.93	421.37	2.72	-67.21
C[N@@H+]1CC2CC1(C(=O)N1CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024810563	0	50	0.0	-75.31	396.99	1.99	-73.32
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024810570	0	53	0.0	-70.01	419.31	2.64	-67.37
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024810570	1	53	0.0	-70.01	419.31	2.64	-67.37
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810583	0	51	0.0	-76.14	414.29	1.85	-74.29
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810611	0	49	0.0	-70.67	398.60	1.26	-69.41
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810617	0	57	0.0	-70.01	439.72	1.18	-68.83
CCCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024810647	0	54	0.0	-72.37	425.63	2.43	-69.94
C[NH+](C)C(C)(C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810651	0	51	0.0	-74.27	394.19	1.39	-72.88
CC(CC[NH+](C)C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810664	0	54	0.0	-76.50	435.95	2.46	-74.04
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810712	0	55	0.0	-70.79	434.23	2.27	-68.52
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810712	1	55	0.0	-70.79	434.23	2.27	-68.52
C[NH+](C)CCCCCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810714	0	57	0.0	-76.00	462.18	3.66	-72.34
CN1CCN(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024810721	0	54	0.0	-74.21	434.19	0.23	-73.98
C[NH+]1CCN(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024810721	1	54	0.0	-74.21	434.19	0.23	-73.98
CC1CN(C)CC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024810762	0	53	0.0	-83.72	422.21	1.66	-82.06
CC1C[N@H+](C)CC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024810762	1	53	0.0	-84.54	429.25	1.75	-82.79
CC1C[N@@H+](C)CC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024810762	1	53	0.0	-84.54	429.25	1.75	-82.79
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024810789	0	50	0.0	-72.85	410.87	2.54	-70.31
C[N@@H+]1CCCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810806	0	52	0.0	-69.30	414.73	2.16	-67.14
C[N@@H+]1CCC(=CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024810864	0	50	0.0	-77.46	413.30	2.27	-75.19
C[N@H+]1CCC(=CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024810864	1	50	0.0	-77.46	413.30	2.27	-75.19
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024810866	0	48	0.0	-73.79	411.08	-0.06	-73.85
C[NH+](C)C1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024810916	0	55	0.0	-69.21	409.15	1.83	-67.38
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810932	0	49	0.0	-72.21	393.99	1.14	-71.07
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024810932	1	49	0.0	-72.21	393.99	1.14	-71.07
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024811010	0	52	0.0	-74.57	424.83	2.41	-72.16
C[NH+](C)CCC1(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024811018	0	55	0.0	-78.83	445.36	2.95	-75.88
C[N@@H+]1CC=CCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811019	0	53	0.0	-76.72	426.40	2.82	-73.90
C[N@H+]1CC=CCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811019	1	53	0.0	-76.72	426.40	2.82	-73.90
C[NH+](C)CCOCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811047	0	52	0.0	-73.83	431.18	1.82	-72.01
[NH2+]=C1SC=CN1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811071	0	45	0.0	-69.34	402.46	0.84	-68.50
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024811126	0	52	0.0	-72.39	417.05	2.58	-69.81
C[N@@H+]1CCCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024811127	0	52	0.0	-75.62	419.80	2.18	-73.44
C[N@H+]1CCCC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024811127	1	52	0.0	-66.85	408.89	2.34	-64.51
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024811128	0	55	0.0	-72.90	428.58	3.07	-69.83
CN1C=C[N+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024811131	0	47	0.0	-71.08	406.46	4.25	-66.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024811150	0	53	0.0	-77.59	428.47	-0.76	-78.35
C[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024811151	0	49	0.0	-69.96	404.58	2.12	-67.84
C[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024811151	1	49	0.0	-70.55	404.77	2.09	-68.46
CCOCC(N=[N+]=[N-])C(=O)N1CCC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024811166	0	49	0.0	-25.60	424.60	-3.16	-28.76
CC(CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024811169	0	54	0.0	-75.69	432.50	2.74	-72.95
C[N@@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811186	1	53	0.0	-69.32	418.30	0.43	-68.89
C[N@H+]1CCOCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811186	1	53	0.0	-69.35	418.43	0.41	-68.94
CC1(O)CC[N@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024811247	0	53	0.0	-71.84	431.19	-0.89	-72.73
CC1(O)CC[N@@H+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024811247	1	53	0.0	-73.46	431.75	-0.85	-74.31
C[NH+]1CC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024811268	0	49	0.0	-75.15	406.49	1.43	-73.72
C[NH+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811277	0	45	0.0	-73.45	375.32	0.72	-72.73
C[N@H+](CCO)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811291	0	52	0.0	-74.88	425.77	-1.27	-76.15
C[N@@H+](CCO)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811291	1	52	0.0	-74.60	425.59	-1.25	-75.85
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024811292	0	48	0.0	-71.65	390.23	1.02	-70.63
C[N@@H+]1CCCCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811306	0	55	0.0	-76.09	434.39	2.93	-73.16
C[N@H+]1CCCCC1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811306	1	55	0.0	-66.27	427.06	2.79	-63.48
CC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024811316	0	52	0.0	-70.60	424.23	2.21	-68.39
CC1CC[N@@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811318	0	49	0.0	-71.89	406.45	1.80	-70.09
CC1CC[N@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811318	1	49	0.0	-71.74	406.53	1.82	-69.92
C[NH+](C)CC=CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811324	0	49	0.0	-78.87	411.80	1.93	-76.94
CC1(C)C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024811329	1	52	0.0	-73.14	425.55	2.30	-70.84
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024811363	0	53	0.0	-72.02	424.79	-1.19	-73.21
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300024811363	1	53	0.0	-72.02	425.02	-1.26	-73.28
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811365	0	51	0.0	-71.17	406.91	1.79	-69.38
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024811374	1	46	0.0	-73.26	385.47	1.22	-72.04
CC[NH+](CC)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811402	0	54	0.0	-74.61	428.97	2.34	-72.27
CC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024811452	0	49	0.0	-70.84	392.78	1.26	-69.58
CCC(CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024811457	0	57	0.0	-68.77	450.56	3.35	-65.42
C[NH+](C)CC(C)(C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811462	0	54	0.0	-75.22	413.74	2.03	-73.19
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811491	0	52	0.0	-73.27	407.56	1.98	-71.29
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811491	1	52	0.0	-69.89	414.72	2.22	-67.67
C[NH+](C)CC(O)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811510	0	52	0.0	-79.00	428.02	-0.25	-79.25
C=CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024811530	0	52	0.0	-69.42	416.29	2.06	-67.36
C[NH+]1CCC(C)(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024811541	0	55	0.0	-73.04	422.05	2.24	-70.80
NC(=[NH2+])SCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811562	0	43	0.0	-71.92	383.23	-2.30	-74.22
C[NH+](C)CCC1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024811585	0	55	0.0	-75.54	451.09	3.26	-72.28
C[N@@H+]1CC=CCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811586	0	53	0.0	-64.95	421.60	2.71	-62.24
C[N@H+]1CC=CCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811586	1	53	0.0	-64.64	421.33	2.77	-61.87
CCC1CN(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024811667	0	52	0.0	-71.24	427.93	2.64	-68.60
CCC1C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024811667	1	52	0.0	-71.24	427.93	2.64	-68.60
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811672	0	49	0.0	-68.51	395.14	1.32	-67.19
CC1C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024811694	0	52	0.0	-69.91	416.34	1.97	-67.94
CC1C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024811694	1	52	0.0	-69.91	416.34	1.97	-67.94
CN1CCOCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811722	0	53	0.0	-68.84	418.42	0.43	-68.41
C[N@@H+]1CCOCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811722	1	53	0.0	-69.03	418.50	0.40	-68.63
C[N@H+]1CCOCC1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024811722	1	53	0.0	-69.03	418.50	0.40	-68.63
CCCN(CCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024811935	0	51	0.0	-72.93	406.20	1.96	-70.97
CCCN(CCNC(=O)C1CN(C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024811959	0	52	0.0	-71.65	416.51	1.73	-69.92
CCCN(CCNC(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024811959	1	52	0.0	-79.55	416.53	1.72	-77.83
CCCN(CCNC(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024811959	1	52	0.0	-79.55	416.53	1.72	-77.83
CCCN(CCNC(=O)C1CCC[N@@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812102	0	57	0.0	-67.15	448.06	3.63	-63.52
CCCN(CCNC(=O)C1CCC[N@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812102	1	57	0.0	-67.15	448.06	3.63	-63.52
CCCN(CCNC(=O)CN1C=CN=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812124	0	49	0.0	-69.51	419.72	3.16	-66.35
CCCN(CCNC(=O)CN1C=C[NH+]=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812124	1	49	0.0	-69.51	419.72	3.16	-66.35
CCCN(CCNC(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812142	0	55	0.0	-81.05	427.63	3.21	-77.84
CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812168	0	54	0.0	-75.76	422.87	2.38	-73.38
CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812168	1	54	0.0	-72.35	432.35	3.04	-69.31
CCCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812170	0	57	0.0	-75.09	447.76	3.23	-71.86
CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812170	1	57	0.0	-73.06	451.29	3.76	-69.30
CCCN(CCNC(=O)C[NH+]1C(C)CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812217	0	57	0.0	-68.12	443.28	3.29	-64.83
CCCN(CCNC(=O)CCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812219	0	57	0.0	-74.05	456.08	3.95	-70.10
CCCN(CCNC(=O)CC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812221	0	57	0.0	-73.71	449.81	3.82	-69.89
CCCN(CCNC(=O)C1CCCC[N@@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812224	0	57	0.0	-67.88	436.59	3.50	-64.38
CCCN(CCNC(=O)C1CCCC[N@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812224	1	57	0.0	-67.85	440.65	3.64	-64.21
CCCN(CCNC(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812233	0	54	0.0	-77.35	417.10	2.96	-74.39
CCCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812239	0	56	0.0	-69.78	440.76	3.68	-66.10
CCCN(CCNC(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812257	0	54	0.0	-69.95	432.37	3.39	-66.56
CCCN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812257	1	54	0.0	-70.02	436.50	3.53	-66.49
C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812307	1	53	0.0	-70.82	436.95	3.33	-67.49
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812307	1	53	0.0	-69.29	438.79	3.70	-65.59
CCCN(CCNC(=O)CCC1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812312	0	57	0.0	-73.11	448.20	3.44	-69.67
CCCN(CCNC(=O)CCC1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812312	1	57	0.0	-75.23	457.67	4.04	-71.19
CCCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812328	0	54	0.0	-78.38	434.87	3.21	-75.17
CCCN(CCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812351	0	54	0.0	-70.81	418.91	2.84	-67.97
CCCN(CCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812351	1	54	0.0	-70.71	422.93	2.96	-67.75
CCCN(CCNC(=O)CN1C=[NH+]C=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812409	1	49	0.0	-71.12	414.97	3.71	-67.41
CCCN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812425	0	55	0.0	-75.15	434.94	3.54	-71.61
CCCN(CCNC(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812430	0	54	0.0	-74.82	432.42	3.03	-71.79
CCCN(CCNC(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812430	1	54	0.0	-75.57	436.82	3.14	-72.43
CCCN(CCNC(=O)C(CC)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812436	0	53	0.0	-68.15	420.69	2.55	-65.60
CCCN(CCNC(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812477	0	56	0.0	-76.04	455.65	3.68	-72.36
CCCN(CCNC(=O)C(C(C)C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812487	0	56	0.0	-71.41	433.89	2.99	-68.42
CCCN(CCNC(=O)CC[N@H+](C)CCC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812488	0	56	0.0	-75.02	451.88	3.51	-71.51
CCCN(CCNC(=O)CC[N@@H+](C)CCC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812488	1	56	0.0	-75.10	447.85	3.36	-71.74
CCCN(CCNC(=O)C[N@H+](C)CCC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812491	0	53	0.0	-72.08	425.48	2.82	-69.26
CCCN(CCNC(=O)C[N@@H+](C)CCC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812491	1	53	0.0	-72.09	429.51	2.96	-69.13
CCCN(CCNC(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812500	0	55	0.0	-77.32	428.18	2.64	-74.68
CCCN(CCNC(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812500	1	55	0.0	-73.61	431.92	2.76	-70.85
CCCN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812521	0	51	0.0	-69.39	416.56	2.61	-66.78
CCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812521	1	51	0.0	-72.98	406.29	1.97	-71.01
CCCN(CCNC(=O)C[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812548	0	53	0.0	-70.19	421.87	2.63	-67.56
CCCN(CCNC(=O)C[NH+]1CCC(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812601	0	57	0.0	-72.46	453.24	4.04	-68.42
CCCN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812619	0	54	0.0	-78.53	436.90	3.12	-75.41
CCCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812665	0	54	0.0	-78.38	434.87	3.21	-75.17
CCCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812680	0	56	0.0	-71.56	434.99	3.63	-67.93
CCCN(CCNC(=O)CC[N@H+](C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812736	0	53	0.0	-74.22	430.39	2.77	-71.45
CCCN(CCNC(=O)CC[N@@H+](C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812736	1	53	0.0	-74.30	426.35	2.63	-71.67
CCCN(CCNC(=O)C[N@@H+]1CCCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812758	0	54	0.0	-69.15	435.44	3.32	-65.83
CCCN(CCNC(=O)C[N@H+]1CCCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812758	1	54	0.0	-68.56	424.96	2.80	-65.76
CCCN(CCNC(=O)C[N@@H+]1CCC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812759	0	54	0.0	-71.48	432.28	3.14	-68.34
CCCN(CCNC(=O)C[N@H+]1CCC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812759	1	54	0.0	-71.40	436.16	3.31	-68.09
CCCN(CCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812760	0	57	0.0	-71.41	455.84	3.80	-67.61
CCCN(CCNC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812760	1	57	0.0	-71.21	451.29	3.66	-67.55
CCCN(CCNC(=O)[C@H](CC)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812767	0	53	0.0	-68.07	416.49	2.43	-65.64
CCCN(CCNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812837	0	47	0.0	-72.47	390.29	1.54	-70.93
CCCN(CCNC(=O)C[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812840	0	57	0.0	-71.59	441.36	3.60	-67.99
CCCN(CCNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812842	0	49	0.0	-70.75	417.49	4.92	-65.83
CCCN(CCNC(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812845	0	54	0.0	-73.29	430.82	3.03	-70.26
CCCN(CCNC(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812845	1	54	0.0	-73.88	430.85	3.04	-70.84
CCCN(CCNC(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812850	0	55	0.0	-74.51	443.24	3.63	-70.88
CCCN(CCNC(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812850	1	55	0.0	-68.97	436.67	3.28	-65.69
CCCN(CCNC(=O)C(C)[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812860	1	51	0.0	-71.45	420.29	2.48	-68.97
CCCN(CCNC(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812868	0	56	0.0	-70.44	437.82	3.25	-67.19
CCCN(CCNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812879	0	51	0.0	-69.57	415.66	2.82	-66.75
CCCN(CCNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812879	1	51	0.0	-69.82	415.66	2.82	-67.00
CCCN(CCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812893	0	51	0.0	-73.04	421.73	2.37	-70.67
CCCN(CCNC(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812903	0	57	0.0	-68.21	435.65	2.70	-65.51
CCCN(CCNC(=O)C1CC[N@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812903	1	57	0.0	-71.06	434.76	3.09	-67.97
CCCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812912	0	50	0.0	-69.75	404.15	1.82	-67.93
CCCN(CCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024812919	0	41	0.0	-24.40	367.26	-2.86	-27.26
CCCN(CCNC(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024812960	0	47	0.0	-69.19	417.36	1.72	-67.47
CCCN(CCNC(=O)CC[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812965	0	54	0.0	-74.55	436.70	-0.60	-75.15
CCCN(CCNC(=O)CC[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812965	1	54	0.0	-73.32	440.71	-0.48	-73.80
CCCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812966	0	50	0.0	-69.75	404.15	1.82	-67.93
CCCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812969	0	54	0.0	-69.84	432.27	3.14	-66.70
CCCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812969	1	54	0.0	-69.11	422.92	2.97	-66.14
CCCN(CCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813013	1	48	0.0	-72.57	400.38	1.97	-70.60
CCCN(CCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813025	0	52	0.0	-76.90	429.14	3.09	-73.81
CCCN(CCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813025	1	52	0.0	-76.63	425.10	2.96	-73.67
CCCN(CCNC(=O)COCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813043	0	54	0.0	-73.91	446.16	2.60	-71.31
C=CCC(C)(C(=O)NCCN(CCC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024813054	0	57	0.0	-76.92	443.90	4.44	-72.48
CCCN(CCNC(=O)CN1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813085	0	51	0.0	-72.31	417.52	2.51	-69.80
CCCN(CCNC(=O)C[NH+]1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813085	1	51	0.0	-72.31	417.52	2.51	-69.80
CCCN(CCNC(=O)CN(C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813101	0	51	0.0	-72.39	418.37	-1.02	-73.41
CCCN(CCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813101	1	51	0.0	-72.92	418.15	-1.03	-73.95
CCCN(CCNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813101	1	51	0.0	-72.92	418.15	-1.03	-73.95
CCCN(CCNC(=O)C1CCC[N@H+](CC)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813118	0	57	0.0	-72.14	448.50	3.69	-68.45
CCCN(CCNC(=O)C1CCC[N@@H+](CC)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813118	1	57	0.0	-72.14	448.50	3.69	-68.45
CCCN(CCNC(=O)CC(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813120	0	56	0.0	-79.10	447.43	3.52	-75.58
CCCN(CCNC(=O)C[N@H+](C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813123	0	50	0.0	-71.83	403.99	2.07	-69.76
CCCN(CCNC(=O)C[N@H+](CC)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813146	0	54	0.0	-68.29	431.49	3.21	-65.08
CCCN(CCNC(=O)CC[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813154	0	56	0.0	-73.20	448.23	3.46	-69.74
CCCN(CCNC(=O)C=C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813161	0	55	0.0	-74.65	443.82	3.83	-70.82
CCCN(CCNC(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813167	1	54	0.0	-72.23	437.10	3.08	-69.15
CCCN(CCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813182	0	51	0.0	-76.94	426.25	2.76	-74.18
CCCN(CCNC(=O)C[N@H+](C)CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813195	1	54	0.0	-72.53	440.62	1.38	-71.15
CCCN(CCNC(=O)C[N@@H+](C)CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813195	1	54	0.0	-72.83	440.39	1.38	-71.45
CCCN(CCNC(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813211	0	57	0.0	-76.49	441.40	3.75	-72.74
CCCN(CCNC(=O)CCC(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813213	0	56	0.0	-72.89	447.57	3.28	-69.61
CCCN(CCNC(=O)C1CC[N@@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813219	1	51	0.0	-71.36	417.89	2.44	-68.92
CCCN(CCNC(=O)C1CC[N@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813219	1	51	0.0	-71.32	414.16	2.39	-68.93
CCCN(CCNC(=O)C1(C)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813243	0	57	0.0	-74.17	447.54	3.62	-70.55
C=CCC(C(=O)NCCN(CCC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024813259	0	54	0.0	-67.41	433.95	3.02	-64.39
CCCN(CCNC(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813266	0	57	0.0	-68.40	451.92	3.59	-64.81
CCCN(CCNC(=O)C1CC(C)(C)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813266	1	57	0.0	-69.06	450.16	3.26	-65.80
CCCN(CCNC(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813271	0	52	0.0	-72.25	421.60	3.29	-68.96
CCCC(C(=O)NCCN(CCC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024813283	0	56	0.0	-68.83	442.19	3.32	-65.51
CCCN(CCNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813286	0	53	0.0	-76.71	417.75	2.70	-74.01
CCCN(CCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813306	0	54	0.0	-70.81	418.91	2.84	-67.97
CCCN(CCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813306	1	54	0.0	-70.71	422.93	2.96	-67.75
CCCN(CCNC(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813325	0	55	0.0	-72.01	445.40	3.74	-68.27
CCCN(CCNC(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813325	1	55	0.0	-70.19	445.44	3.74	-66.45
CCCN(CCNC(=O)C=CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813354	0	55	0.0	-75.97	446.81	3.69	-72.28
CCCN(CCNC(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813378	0	51	0.0	-77.90	412.71	3.24	-74.66
CCCN(CCNC(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813379	0	54	0.0	-73.84	434.58	3.14	-70.70
CCCN(CCNC(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813399	0	54	0.0	-82.25	422.53	-0.12	-82.37
CCCN(CCNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813403	0	52	0.0	-75.18	416.30	2.80	-72.38
CCCN(CCNC(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813403	1	52	0.0	-76.26	422.33	2.74	-73.52
CCCN(CCNC(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813408	0	55	0.0	-69.94	432.97	3.52	-66.42
CCCN(CCNC(=O)C[N@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813408	1	55	0.0	-69.45	434.45	3.45	-66.00
CCCN(CCNC(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813442	1	53	0.0	-70.29	429.63	3.51	-66.78
CCCN(CCNC(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813442	1	53	0.0	-67.89	429.37	3.42	-64.47
CCCN(CCNC(=O)C(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813469	0	53	0.0	-74.28	428.69	2.82	-71.46
CCCN(CCNC(=O)CC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813505	0	57	0.0	-75.86	449.54	3.73	-72.13
CCCN(CCNC(=O)CC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813505	1	57	0.0	-75.12	449.52	3.74	-71.38
CCCN(CCNC(=O)C(C)[NH+]1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813514	0	54	0.0	-71.70	436.60	3.08	-68.62
CCCN(CCNC(=O)C[N@@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813516	1	51	0.0	-71.40	421.62	2.62	-68.78
CCCN(CCNC(=O)C[N@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813516	1	51	0.0	-70.18	412.04	2.23	-67.95
CCCN(CCNC(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813518	0	54	0.0	-78.56	442.99	0.55	-78.01
CCCN(CCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813570	0	54	0.0	-75.42	439.97	3.26	-72.16
CCCN(CCNC(=O)C(C)CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813574	0	56	0.0	-74.75	450.33	3.43	-71.32
CCCN(CCNC(=O)CN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813589	1	56	0.0	-72.88	445.66	0.93	-71.95
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024813758	0	51	0.0	-68.96	411.30	2.24	-66.72
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024813758	1	51	0.0	-68.39	411.42	2.18	-66.21
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300024813784	1	52	0.0	-70.02	418.09	1.66	-68.36
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300024813784	1	52	0.0	-85.87	420.37	1.64	-84.23
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+]1CCC2	REAL300024813940	0	55	0.0	-73.32	417.98	3.16	-70.16
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300024813961	0	54	0.0	-75.51	436.74	3.11	-72.40
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300024813961	1	54	0.0	-75.08	432.69	2.98	-72.10
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(CC)[NH+](C)C	REAL300024813967	0	53	0.0	-69.80	418.10	2.44	-67.36
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300024813996	0	56	0.0	-75.64	451.62	3.51	-72.13
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C(C)C)[NH+](C)C	REAL300024814008	0	56	0.0	-74.63	428.94	2.67	-71.96
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCC	REAL300024814009	0	56	0.0	-75.21	447.85	3.35	-71.86
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCC	REAL300024814009	1	56	0.0	-74.26	451.88	3.47	-70.79
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCC	REAL300024814012	0	53	0.0	-71.12	429.51	2.88	-68.24
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCC	REAL300024814012	1	53	0.0	-71.12	429.51	2.88	-68.24
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@H+](C1)CCC2	REAL300024814021	0	55	0.0	-70.76	420.02	2.20	-68.56
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300024814021	1	55	0.0	-81.10	413.56	2.04	-79.06
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(C)CC1	REAL300024814045	0	57	0.0	-71.63	453.32	3.98	-67.65
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300024814082	0	54	0.0	-72.85	435.32	2.99	-69.86
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CC	REAL300024814099	0	53	0.0	-74.47	426.35	2.60	-71.87
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CC	REAL300024814099	1	53	0.0	-73.42	430.38	2.74	-70.68
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCC1CC2	REAL300024814110	0	55	0.0	-81.09	424.15	2.87	-78.22
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024814147	0	54	0.0	-74.14	432.14	2.94	-71.20
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H](C(C)C)[NH+](C)C	REAL300024814162	0	56	0.0	-70.97	433.45	3.12	-67.85
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300024814222	0	54	0.0	-68.00	407.70	2.17	-65.83
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCCC1C	REAL300024814256	0	54	0.0	-68.34	435.21	3.16	-65.18
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCCC1C	REAL300024814256	1	54	0.0	-69.56	431.59	3.13	-66.43
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C(C)C	REAL300024814282	0	57	0.0	-67.00	444.97	3.40	-63.60
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C(C)C	REAL300024814282	1	57	0.0	-66.38	447.45	3.29	-63.09
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C(C)C)[NH+](C)C	REAL300024814289	0	56	0.0	-71.43	433.98	3.22	-68.21
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)C1	REAL300024814299	0	54	0.0	-70.21	435.58	3.16	-67.05
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)C1	REAL300024814299	1	54	0.0	-69.83	436.51	3.13	-66.70
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024814300	0	57	0.0	-70.48	455.52	3.70	-66.78
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300024814300	1	57	0.0	-70.64	455.92	3.72	-66.92
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](CC)[NH+](C)C	REAL300024814307	0	53	0.0	-68.66	417.22	2.44	-66.22
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=C[NH+]=C1C	REAL300024814385	1	49	0.0	-69.02	415.68	2.95	-66.07
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=[NH+]C=C1C	REAL300024814443	1	49	0.0	-69.68	419.00	3.77	-65.91
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024814447	0	54	0.0	-75.16	418.43	2.20	-72.96
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024814447	1	54	0.0	-71.97	425.05	2.54	-69.43
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	REAL300024814449	0	57	0.0	-72.61	446.52	3.08	-69.53
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	REAL300024814449	1	57	0.0	-70.32	448.13	3.21	-67.11
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1C(C)CCC1C	REAL300024814454	0	57	0.0	-67.08	447.44	3.37	-63.71
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCC1	REAL300024814456	0	57	0.0	-72.84	460.11	4.05	-68.79
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCC1	REAL300024814459	0	57	0.0	-72.91	453.83	3.91	-69.00
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1CC	REAL300024814462	0	57	0.0	-68.94	439.68	3.37	-65.57
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1CC	REAL300024814462	1	57	0.0	-68.28	439.54	3.24	-65.04
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300024814539	0	54	0.0	-69.37	436.47	3.45	-65.92
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300024814539	1	54	0.0	-70.17	432.47	3.32	-66.85
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024814559	0	54	0.0	-74.14	432.14	2.94	-71.20
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024814581	0	51	0.0	-68.75	415.20	2.33	-66.42
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024814581	1	51	0.0	-69.09	409.34	1.93	-67.16
C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024814598	1	53	0.0	-67.62	437.62	3.29	-64.33
C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024814598	1	53	0.0	-68.33	438.64	3.58	-64.75
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL300024814603	0	57	0.0	-72.70	448.21	3.41	-69.29
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL300024814603	1	57	0.0	-74.80	453.86	3.86	-70.94
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024814662	0	54	0.0	-74.05	418.10	2.55	-71.50
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024814662	1	54	0.0	-67.20	426.09	2.86	-64.34
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+](C)C1C	REAL300024814707	0	54	0.0	-74.44	424.96	2.40	-72.04
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+](C)C1C	REAL300024814707	1	54	0.0	-70.48	429.02	2.66	-67.82
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024814754	0	57	0.0	-67.78	450.05	3.08	-64.70
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300024814754	1	57	0.0	-68.95	447.84	3.05	-65.90
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL300024814766	0	50	0.0	-70.03	403.75	1.74	-68.29
C=CCC(C)(C(=O)N(CCC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024814778	0	57	0.0	-65.62	426.64	2.74	-62.88
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024814790	0	54	0.0	-72.93	438.61	3.23	-69.70
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024814796	1	51	0.0	-72.32	414.33	-1.23	-73.55
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024814796	1	51	0.0	-71.36	418.14	-1.11	-72.47
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@H+](C)CC1	REAL300024814841	0	55	0.0	-70.83	449.43	3.84	-66.99
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300024814841	1	55	0.0	-68.95	449.45	3.84	-65.11
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)C1	REAL300024814881	1	51	0.0	-71.32	421.56	2.56	-68.76
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](CC)C1	REAL300024814886	0	57	0.0	-71.59	448.07	3.49	-68.10
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](CC)C1	REAL300024814886	1	57	0.0	-67.98	448.92	3.53	-64.45
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300024814897	0	55	0.0	-63.29	441.89	3.66	-59.63
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C1CC1	REAL300024814897	1	55	0.0	-65.99	439.96	3.54	-62.45
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300024814916	0	55	0.0	-74.87	451.86	3.84	-71.03
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CC	REAL300024814951	0	50	0.0	-70.96	408.01	2.14	-68.82
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC2C=CC1C2	REAL300024814978	0	53	0.0	-67.71	429.32	3.35	-64.36
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024814978	1	53	0.0	-67.93	429.24	3.34	-64.59
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300024814978	1	53	0.0	-67.93	429.24	3.34	-64.59
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN(C)CCOC	REAL300024815051	0	54	0.0	-72.50	436.58	1.18	-71.32
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCOC	REAL300024815051	1	54	0.0	-71.01	440.40	1.30	-69.71
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCOC	REAL300024815051	1	54	0.0	-71.01	440.40	1.30	-69.71
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC(C)[NH+](C)C	REAL300024815054	0	56	0.0	-73.12	443.61	3.14	-69.98
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](CC)C1CC1	REAL300024815066	0	54	0.0	-67.24	435.52	3.28	-63.96
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024815090	0	52	0.0	-70.82	412.10	2.22	-68.60
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300024815097	0	55	0.0	-67.90	434.72	3.36	-64.54
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2CCC1C2	REAL300024815097	1	55	0.0	-67.90	434.72	3.36	-64.54
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)C[NH+](C)C	REAL300024815110	0	53	0.0	-71.52	423.42	2.42	-69.10
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCN1CC	REAL300024815137	0	51	0.0	-69.06	414.89	2.15	-66.91
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1CC	REAL300024815137	1	51	0.0	-66.40	413.32	2.08	-64.32
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1CC	REAL300024815137	1	51	0.0	-66.40	413.32	2.08	-64.32
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[NH+]=CC=C1N	REAL300024815164	0	47	0.0	-71.89	402.53	-0.51	-72.40
CCCC(C(=O)N(CCC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024815171	0	56	0.0	-68.26	435.41	3.03	-65.23
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024815175	0	53	0.0	-71.07	400.51	1.85	-69.22
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)CC[NH+](C)C	REAL300024815188	0	56	0.0	-71.67	445.10	3.06	-68.61
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024815235	0	57	0.0	-69.58	451.50	3.43	-66.15
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300024815235	1	57	0.0	-69.24	443.49	2.88	-66.36
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC[NH+](C)CC1	REAL300024815242	1	56	0.0	-71.36	449.80	1.00	-70.36
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024815304	0	52	0.0	-71.20	425.66	3.35	-67.85
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024815319	0	54	0.0	-74.05	418.10	2.55	-71.50
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024815319	1	54	0.0	-67.20	426.09	2.86	-64.34
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024815374	0	52	0.0	-75.71	429.18	3.13	-72.58
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024815374	1	52	0.0	-75.73	429.19	3.13	-72.60
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC1=CC=[NH+]C=C1	REAL300024815376	0	50	0.0	-72.15	426.00	0.74	-71.41
CCCN(CCNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024815399	0	41	0.0	-24.31	363.22	-3.06	-27.37
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCCC1	REAL300024815425	0	57	0.0	-77.80	423.02	2.84	-74.96
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(CC)C1	REAL300024815432	0	54	0.0	-71.98	442.95	3.32	-68.66
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024815441	0	51	0.0	-71.25	409.20	1.94	-69.31
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024815441	1	51	0.0	-65.71	413.74	2.25	-63.46
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024815515	0	54	0.0	-71.68	438.73	3.18	-68.50
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CC[NH+](C)C)CC1	REAL300024815522	0	57	0.0	-78.18	452.92	3.49	-74.69
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@@H+]1C	REAL300024815523	0	55	0.0	-67.65	432.43	3.38	-64.27
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@H+]1C	REAL300024815523	1	55	0.0	-74.93	441.32	3.57	-71.36
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300024815550	0	54	0.0	-73.41	442.12	2.47	-70.94
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=CSC1=[NH2+]	REAL300024815573	0	47	0.0	-68.72	413.32	1.52	-67.20
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300024815625	0	54	0.0	-73.32	430.19	2.84	-70.48
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300024815625	1	54	0.0	-73.32	430.19	2.84	-70.48
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCCC1	REAL300024815626	0	57	0.0	-71.83	437.33	3.40	-68.43
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024815628	0	49	0.0	-68.99	421.51	4.98	-64.01
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024815647	0	51	0.0	-68.84	419.69	2.88	-65.96
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(C)C[NH+](C)C	REAL300024815661	0	56	0.0	-79.42	443.40	3.38	-76.04
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024815752	0	51	0.0	-73.48	421.72	2.33	-71.15
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300024815774	0	54	0.0	-72.68	440.68	-0.49	-73.17
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300024815774	1	54	0.0	-72.68	440.68	-0.49	-73.17
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@@H+]1C	REAL300024815788	0	57	0.0	-76.06	445.33	3.57	-72.49
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@H+]1C	REAL300024815788	1	57	0.0	-76.06	445.33	3.57	-72.49
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC1C	REAL300024815800	0	51	0.0	-70.59	417.59	2.41	-68.18
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC1C	REAL300024815800	1	51	0.0	-69.13	416.08	2.29	-66.84
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC1C	REAL300024815800	1	51	0.0	-69.13	416.08	2.29	-66.84
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024815806	0	51	0.0	-76.75	423.24	2.66	-74.09
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC(C)(C)C1	REAL300024815811	0	54	0.0	-71.21	441.12	3.14	-68.07
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024815811	1	54	0.0	-71.21	441.12	3.14	-68.07
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](CC)CC	REAL300024815845	0	53	0.0	-70.74	422.46	2.73	-68.01
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC1	REAL300024815854	0	48	0.0	-71.40	400.38	1.89	-69.51
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024815854	1	48	0.0	-71.40	400.38	1.89	-69.51
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+](CC)CC	REAL300024815881	0	56	0.0	-74.03	439.86	3.03	-71.00
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)N1CCC1	REAL300024815931	0	51	0.0	-70.19	411.49	2.04	-68.15
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1CCC1	REAL300024815931	1	51	0.0	-70.19	411.49	2.04	-68.15
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300024815940	0	56	0.0	-64.32	419.54	2.42	-61.90
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024815967	0	54	0.0	-70.24	424.78	2.83	-67.41
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(O)C[NH+](C)C	REAL300024815984	0	54	0.0	-78.16	438.84	0.40	-77.76
C=CCC(C(=O)N(CCC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024816003	0	54	0.0	-66.85	427.39	2.73	-64.12
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC[NH+](C)CC1	REAL300024816013	0	57	0.0	-72.77	435.52	2.94	-69.83
CCCN(CCNC(=O)CSC(N)=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024816034	0	45	0.0	-74.94	398.82	-1.58	-76.52
CCCN(CCNC(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024816054	0	57	0.0	-81.82	460.67	3.92	-77.90
CCCN(CCNC(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024816055	0	55	0.0	-75.77	441.50	3.60	-72.17
CCCN(CCNC(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024816055	1	55	0.0	-75.77	441.50	3.60	-72.17
CCCN(CCNC(=O)C[NH+]1CC(CC)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024816133	1	54	0.0	-73.02	438.91	3.27	-69.75
CCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024816138	1	51	0.0	-68.18	411.95	2.38	-65.80
CCCN(CCNC(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024816151	0	54	0.0	-71.69	428.37	3.30	-68.39
CCCN(CCNC(=O)C1CC[N@H+](C)C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024816155	0	54	0.0	-72.95	427.41	2.65	-70.30
CCCN(CCNC(=O)C1CC[N@@H+](C)C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024816155	1	54	0.0	-70.58	431.48	2.75	-67.83
C[N@@H+]1CCCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816390	0	49	0.0	-67.24	392.01	1.79	-65.45
C[N@H+]1CCCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816390	1	49	0.0	-68.21	393.52	1.95	-66.26
C[N@@H+]1CCOC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024816414	1	50	0.0	-82.34	410.14	1.61	-80.73
C[N@H+]1CCOC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024816414	1	50	0.0	-79.36	403.46	1.69	-77.67
CC(C)[N@@H+]1CCCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816558	0	55	0.0	-68.07	427.45	3.48	-64.59
CC(C)[N@H+]1CCCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816558	1	55	0.0	-70.81	425.23	3.46	-67.35
CC1=[NH+]C=CN1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816581	1	47	0.0	-68.98	404.36	2.82	-66.16
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1C[NH+]2CCC1CC2)C1CC1	REAL300024816601	0	53	0.0	-80.80	414.04	2.96	-77.84
C[C@@H]1[C@H](C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024816629	0	52	0.0	-73.19	409.52	2.40	-70.79
C[C@@H]1[C@H](C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024816629	1	52	0.0	-71.74	414.72	2.43	-69.31
CC[C@@H]1[C@@H](C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024816631	0	55	0.0	-75.09	429.38	2.86	-72.23
CC[C@@H]1[C@@H](C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024816631	1	55	0.0	-67.93	432.45	3.48	-64.45
CC[N@@H+]1CCOC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024816636	1	53	0.0	-83.20	426.90	2.32	-80.88
CC[N@H+]1CCOC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024816636	1	53	0.0	-70.49	422.43	2.14	-68.35
CC1CCC(C)[NH+]1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816681	0	55	0.0	-67.90	431.62	3.24	-64.66
O=C(CCC[NH+]1CCCC1)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816683	0	55	0.0	-72.11	441.54	3.76	-68.35
O=C(CC[NH+]1CCCCC1)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816686	0	55	0.0	-71.85	435.25	3.62	-68.23
CC[N@@H+]1CCCCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816689	0	55	0.0	-65.96	422.04	3.33	-62.63
CC[N@H+]1CCCCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816689	1	55	0.0	-68.34	433.09	3.62	-64.72
C[NH+](C)C1(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCC1	REAL300024816699	0	52	0.0	-67.28	408.08	2.83	-64.45
CC(C)[C@@H](C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024816705	0	54	0.0	-65.47	419.26	2.88	-62.59
C[N@H+](CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024816723	0	52	0.0	-69.53	421.15	3.19	-66.34
C[N@@H+](CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024816723	1	52	0.0	-69.30	420.62	3.19	-66.11
C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816777	1	51	0.0	-67.92	421.21	2.99	-64.93
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816777	1	51	0.0	-68.15	425.69	3.68	-64.47
C[N@@H+]1CCCC1CCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816782	0	55	0.0	-72.90	439.10	3.72	-69.18
C[N@H+]1CCCC1CCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816782	1	55	0.0	-70.56	433.10	3.24	-67.32
C[NH+]1CCC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024816798	0	52	0.0	-77.92	419.08	2.89	-75.03
C[N@@H+]1CCCCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816825	0	52	0.0	-69.41	413.45	2.92	-66.49
C[N@H+]1CCCCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816825	1	52	0.0	-69.13	413.72	2.84	-66.29
O=C(CC[NH+]1CCOCC1)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816878	1	53	0.0	-76.23	429.76	1.24	-74.99
CC1=C[NH+]=CN1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816890	1	47	0.0	-70.37	404.69	3.55	-66.82
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C12CCC[NH+]1CCC2)C1CC1	REAL300024816906	0	53	0.0	-74.55	419.16	3.22	-71.33
C[N@@H+]1CCC(CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024816911	0	52	0.0	-76.59	419.29	2.75	-73.84
C[N@H+]1CCC(CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024816911	1	52	0.0	-74.86	418.60	2.75	-72.11
CCC(C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024816917	0	51	0.0	-67.45	405.48	2.24	-65.21
C[NH+](C)CCCCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816964	0	54	0.0	-75.49	439.86	3.36	-72.13
CC(C)C(C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024816975	0	54	0.0	-68.61	421.36	3.69	-64.92
CCC[N@H+](C)CCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816976	0	54	0.0	-73.13	433.30	3.18	-69.95
CCC[N@@H+](C)CCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816976	1	54	0.0	-74.46	436.09	3.18	-71.28
CCC[N@H+](C)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816979	0	51	0.0	-70.51	410.94	2.64	-67.87
CCC[N@@H+](C)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816979	1	51	0.0	-70.37	410.94	2.64	-67.73
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C12CC[N@H+](C1)CCC2)C1CC1	REAL300024816992	0	53	0.0	-74.70	413.65	2.47	-72.23
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C12CC[N@@H+](C1)CCC2)C1CC1	REAL300024816992	1	53	0.0	-71.88	414.78	2.62	-69.26
C[N@@H+]1CCC[C@@H]1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817014	0	49	0.0	-67.74	392.03	1.87	-65.87
C[N@H+]1CCC[C@@H]1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817014	1	49	0.0	-68.21	398.05	2.30	-65.91
CC[NH+](CC)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817041	0	51	0.0	-69.76	409.98	2.56	-67.20
CC1CC[NH+](CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024817094	0	55	0.0	-71.12	436.13	3.90	-67.22
C[NH+](C)CC1(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024817112	0	52	0.0	-77.97	425.74	2.99	-74.98
C[NH+]1CCC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024817158	0	52	0.0	-77.92	419.08	2.89	-75.03
CC(C)[C@H](C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024817173	0	54	0.0	-69.70	417.70	2.80	-66.90
CCC(C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](CC)CC	REAL300024817200	0	57	0.0	-65.82	441.21	3.52	-62.30
CC[N@H+](C)CCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817230	0	51	0.0	-73.62	414.59	2.42	-71.20
CC[N@@H+](C)CCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817230	1	51	0.0	-73.71	414.59	2.43	-71.28
CC1CCC[N@@H+]1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817253	0	52	0.0	-68.30	411.46	2.54	-65.76
CC1CCC[N@H+]1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817253	1	52	0.0	-69.34	417.13	2.90	-66.44
CC1CC[N@H+](CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817254	0	52	0.0	-71.12	418.77	2.90	-68.22
CC1CC[N@@H+](CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817254	1	52	0.0	-71.19	418.21	2.91	-68.28
CC1(C)CC[N@H+](CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817256	0	55	0.0	-70.62	439.51	3.48	-67.14
CC1(C)CC[N@@H+](CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817256	1	55	0.0	-71.31	438.33	3.41	-67.90
C[N@H+](CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)CC(C)(C)C	REAL300024817257	0	57	0.0	-71.69	442.16	3.60	-68.09
C[N@@H+](CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)CC(C)(C)C	REAL300024817257	1	57	0.0	-69.65	442.05	3.79	-65.86
CC[C@@H](C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024817264	0	51	0.0	-67.51	405.17	2.23	-65.28
C[NH+](C)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817336	0	45	0.0	-71.95	374.50	1.22	-70.73
O=C(C[NH+]1CCCCCC1)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817339	0	55	0.0	-71.03	425.57	3.28	-67.75
CN1C=C[N+](CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1	REAL300024817342	0	47	0.0	-69.48	402.93	4.73	-64.75
C[N@@H+]1CCCC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817346	0	52	0.0	-65.47	410.03	3.04	-62.43
C[N@H+]1CCCC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817346	1	52	0.0	-66.58	411.07	2.99	-63.59
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1CCC[N@@H+]1C1CC1)C1CC1	REAL300024817351	0	53	0.0	-66.15	429.14	3.76	-62.39
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1CCC[N@H+]1C1CC1)C1CC1	REAL300024817351	1	53	0.0	-68.57	421.71	2.98	-65.59
CC(C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CCC1	REAL300024817363	1	49	0.0	-68.61	402.70	2.28	-66.33
CCC(CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024817367	0	57	0.0	-68.15	449.38	3.83	-64.32
C[NH+](C)CC(C)(C)C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817372	0	54	0.0	-72.56	423.52	3.05	-69.51
O=C(C[NH+]1CCC(O)CC1)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817383	1	53	0.0	-74.95	427.30	-0.26	-75.21
C[N@H+](CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024817384	0	49	0.0	-68.63	403.76	2.62	-66.01
C[N@@H+](CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024817384	1	49	0.0	-67.23	400.97	2.63	-64.60
C[NH+]1CC(CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817398	0	49	0.0	-72.56	405.94	2.05	-70.51
CC(C)(C)[N@@H+]1CCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817408	0	55	0.0	-70.89	416.89	2.69	-68.20
CC(C)(C)[N@H+]1CCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817408	1	55	0.0	-68.43	419.21	2.22	-66.21
C[C@@H](C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024817418	0	48	0.0	-69.13	393.16	1.64	-67.49
[N-]=[N+]=NCC(=O)NCCN(C(=O)CSC1=NC(=O)NN1)C1CC1	REAL300024817425	0	39	0.0	-24.54	349.73	-3.24	-27.78
[NH2+]=C1SC=CN1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817467	0	45	0.0	-68.72	402.00	1.39	-67.33
C[N@H+](CCO)CCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817472	0	52	0.0	-72.92	422.15	-0.79	-73.71
C[N@@H+](CCO)CCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817472	1	52	0.0	-71.27	421.98	-0.77	-72.04
C[C@@H](C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024817473	0	48	0.0	-69.13	393.16	1.64	-67.49
C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817476	0	52	0.0	-70.23	407.44	2.63	-67.60
C[N@H+]1CCCC[C@@H]1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817476	1	52	0.0	-67.24	414.99	2.74	-64.50
O=C(C[NH+]1CCC1)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817521	1	46	0.0	-72.05	384.60	1.64	-70.41
C[N@@H+]1CCC(=CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817535	0	50	0.0	-74.98	409.60	2.79	-72.19
C[N@H+]1CCC(=CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817535	1	50	0.0	-76.00	413.24	2.74	-73.26
C[NH+](C)CCOCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817555	0	52	0.0	-73.29	430.37	2.28	-71.01
C=CCC(C)(C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024817566	0	55	0.0	-71.20	426.14	3.03	-68.17
C[N@@H+]1CC(O)CC1(C)C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817583	0	53	0.0	-78.81	419.56	-0.44	-79.25
CC1CN(CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817600	0	49	0.0	-70.57	402.98	2.32	-68.25
CC1C[NH+](CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817600	1	49	0.0	-70.57	402.98	2.32	-68.25
CN(CCO)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817617	0	49	0.0	-70.42	399.79	-1.34	-71.76
C[N@H+](CCO)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817617	1	49	0.0	-72.40	402.70	-1.37	-73.77
C[N@@H+](CCO)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817617	1	49	0.0	-72.40	402.70	-1.37	-73.77
CC[N@@H+]1CCCC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817636	0	55	0.0	-62.71	427.68	3.70	-59.01
CC[N@H+]1CCCC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817636	1	55	0.0	-62.71	427.68	3.70	-59.01
CC(CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024817638	0	54	0.0	-74.19	431.69	3.22	-70.97
CC[N@H+](C)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817641	0	48	0.0	-70.02	389.44	1.89	-68.13
CC[N@H+](CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024817665	0	52	0.0	-68.89	420.81	3.19	-65.70
CC[NH+](CC)CCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817673	0	54	0.0	-72.65	432.18	3.15	-69.50
CC1(C)CN(CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817687	0	52	0.0	-70.88	422.12	2.80	-68.08
CC1(C)C[NH+](CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817687	1	52	0.0	-70.88	422.12	2.80	-68.08
CC1(O)CC[N@H+](CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024817703	0	53	0.0	-72.53	428.97	-0.44	-72.97
C[NH+](C)CC=CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817706	0	49	0.0	-76.47	411.73	2.47	-74.00
COCCN(C)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817719	0	52	0.0	-72.30	424.95	1.03	-71.27
COCC[N@H+](C)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817719	1	52	0.0	-70.60	422.04	1.06	-69.54
COCC[N@@H+](C)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817719	1	52	0.0	-70.60	422.04	1.06	-69.54
C[NH+](C)C1(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCCC1	REAL300024817736	0	55	0.0	-75.69	426.05	3.38	-72.31
CC(CCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024817738	0	54	0.0	-72.40	431.64	2.95	-69.45
CCN1CCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817744	0	49	0.0	-69.20	397.58	1.89	-67.31
CC[N@@H+]1CCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817744	1	49	0.0	-70.05	404.77	2.42	-67.63
CC[N@H+]1CCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817744	1	49	0.0	-70.05	404.77	2.42	-67.63
O=C(C[N@H+]1CCCC1CO)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817754	0	53	0.0	-71.24	425.75	-0.28	-71.52
C[NH+]1CCC(C)(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024817770	0	55	0.0	-73.74	431.75	3.29	-70.45
C=CCC(C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024817786	0	52	0.0	-66.85	418.27	2.70	-64.15
C[N@@H+]1CC(C)(C)CC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817793	0	55	0.0	-66.40	437.67	3.48	-62.92
C[N@H+]1CC(C)(C)CC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817793	1	55	0.0	-66.40	437.67	3.48	-62.92
C[NH+](C)CCCCCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817795	0	57	0.0	-74.90	461.36	4.14	-70.76
CCCC(C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024817812	0	54	0.0	-69.82	425.86	3.05	-66.77
C[NH+](C)C(C)(C)C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817815	0	51	0.0	-76.16	401.96	2.39	-73.77
C[N@@H+]1CCCCC1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817838	0	52	0.0	-69.13	413.72	2.84	-66.29
C[N@H+]1CC=C(CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024817857	0	53	0.0	-68.34	430.83	3.55	-64.79
C[N@@H+]1CC=C(CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024817857	1	53	0.0	-68.34	430.83	3.55	-64.79
O=C(C=CC[NH+]1CCCC1)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817887	0	53	0.0	-75.32	436.80	3.64	-71.68
O=C(CC[NH+]1CCCC1)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817914	0	52	0.0	-73.12	422.82	2.95	-70.17
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1C[NH+]2CCN1CC2)C1CC1	REAL300024817935	0	52	0.0	-81.43	410.93	-0.30	-81.73
C[N@@H+]1CC2CC1(C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300024817939	0	50	0.0	-75.65	403.63	2.25	-73.40
O=C(C[N@@H+]1CC2CCC1C2)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817944	0	53	0.0	-69.11	416.90	3.08	-66.03
O=C(C[N@H+]1CC2CCC1C2)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817944	1	53	0.0	-69.11	416.90	3.08	-66.03
O=C(CN1CC2C=CC1C2)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817979	0	51	0.0	-70.02	411.87	3.13	-66.89
O=C(C[N@@H+]1CC2C=CC1C2)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817979	1	51	0.0	-68.41	411.84	3.03	-65.38
O=C(C[N@H+]1CC2C=CC1C2)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817979	1	51	0.0	-68.41	411.84	3.03	-65.38
CC(C[NH+](C)C)C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818009	0	51	0.0	-65.11	412.33	2.60	-62.51
C[N@@H+]1CCCCC1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818048	0	55	0.0	-75.64	431.69	3.36	-72.28
C[N@H+]1CCCCC1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818048	1	55	0.0	-75.64	431.69	3.36	-72.28
CC1CCN1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818059	0	49	0.0	-68.88	398.88	2.21	-66.67
CC1CC[N@@H+]1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818059	1	49	0.0	-69.90	403.29	2.32	-67.58
CC1CC[N@H+]1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818059	1	49	0.0	-69.90	403.29	2.32	-67.58
C[NH+](C)CC(O)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818061	0	52	0.0	-78.07	427.20	0.23	-77.84
CC1CN(C)CC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300024818078	0	53	0.0	-80.18	423.18	2.26	-77.92
CC1C[N@H+](C)CC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300024818078	1	53	0.0	-79.87	424.21	2.21	-77.66
CC1C[N@@H+](C)CC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300024818078	1	53	0.0	-79.87	424.21	2.21	-77.66
C[NH+](C)[C@H]1C[C@H](C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024818116	0	52	0.0	-72.10	422.50	2.88	-69.22
CC(CC[NH+](C)C)C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818120	0	54	0.0	-73.55	434.53	3.12	-70.43
CN1CCN(CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024818135	0	54	0.0	-71.15	432.44	0.93	-70.22
C[NH+]1CCN(CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024818135	1	54	0.0	-71.15	432.44	0.93	-70.22
C[N@@H+]1CCCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818305	0	49	0.0	-71.10	393.47	1.68	-69.42
C[N@H+]1CCCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818305	1	49	0.0	-69.96	393.96	1.65	-68.31
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)CC[NH+]1CCOCC1)C1CC1	REAL300024818479	1	53	0.0	-77.64	428.01	1.14	-76.50
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C12CCC[NH+]1CCC2)C1CC1	REAL300024818487	0	53	0.0	-66.64	412.53	2.40	-64.24
C[N@@H+]1CCC(CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024818510	0	52	0.0	-76.75	419.12	2.72	-74.03
C[N@H+]1CCC(CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024818510	1	52	0.0	-72.66	420.33	2.96	-69.70
CCC(C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024818516	0	51	0.0	-69.96	399.90	1.99	-67.97
C[NH+](C)CCCCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818548	0	54	0.0	-75.81	438.10	3.27	-72.54
CC(C)C(C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024818561	0	54	0.0	-69.49	417.35	2.76	-66.73
CCC[N@H+](C)CCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818562	0	54	0.0	-75.63	434.33	3.09	-72.54
CCC[N@@H+](C)CCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818562	1	54	0.0	-72.97	434.67	3.31	-69.66
CCC[N@H+](C)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818565	0	51	0.0	-72.56	412.24	2.47	-70.09
CCC[N@@H+](C)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818565	1	51	0.0	-71.62	413.93	2.53	-69.09
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C12CC[N@H+](C1)CCC2)C1CC1	REAL300024818578	0	53	0.0	-76.98	406.82	1.93	-75.05
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C12CC[N@@H+](C1)CCC2)C1CC1	REAL300024818578	1	53	0.0	-79.02	405.55	1.80	-77.22
CC1CC[NH+](CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024818603	0	55	0.0	-72.18	437.27	3.62	-68.56
C[NH+](C)CC1(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024818640	0	52	0.0	-73.23	423.78	2.69	-70.54
CC[N@H+](C)CCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818657	0	51	0.0	-74.78	412.84	2.35	-72.43
CC[N@@H+](C)CCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818657	1	51	0.0	-72.34	413.18	2.56	-69.78
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1C[NH+]2CCC1CC2)C1CC1	REAL300024818669	0	53	0.0	-79.58	413.28	2.65	-76.93
C[NH+]1CCC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024818707	0	52	0.0	-73.07	412.26	2.74	-70.33
CC(C)[C@H](C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024818722	0	54	0.0	-71.67	418.62	2.65	-69.02
C[NH+](C)C1(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCC1	REAL300024818785	0	52	0.0	-71.11	403.20	2.00	-69.11
CCC(C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](CC)CC	REAL300024818812	0	57	0.0	-66.39	435.05	3.25	-63.14
CC1CCC[N@@H+]1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818821	0	52	0.0	-66.86	410.59	2.54	-64.32
CC1CCC[N@H+]1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818821	1	52	0.0	-67.60	412.02	2.70	-64.90
CC(C)[N@@H+]1CCCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818848	0	55	0.0	-67.21	431.69	3.04	-64.17
CC(C)[N@H+]1CCCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818848	1	55	0.0	-67.59	419.21	3.11	-64.48
CC(C)[C@@H](C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024818855	0	54	0.0	-69.71	416.34	2.82	-66.89
CC1CC[N@H+](CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024818865	0	52	0.0	-69.22	418.12	2.82	-66.40
CC1CC[N@@H+](CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024818865	1	52	0.0	-70.45	418.71	3.08	-67.37
CC1(C)CC[N@H+](CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024818867	0	55	0.0	-71.69	437.95	3.33	-68.36
CC1(C)CC[N@@H+](CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024818867	1	55	0.0	-71.68	437.49	3.32	-68.36
C[N@H+](CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)CC(C)(C)C	REAL300024818868	0	57	0.0	-71.75	442.68	3.54	-68.21
C[N@@H+](CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)CC(C)(C)C	REAL300024818868	1	57	0.0	-72.38	443.19	3.65	-68.73
CC[C@@H](C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024818875	0	51	0.0	-67.59	402.48	2.01	-65.58
CC1=[NH+]C=CN1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024818955	1	47	0.0	-67.97	402.21	2.69	-65.28
CC[N@@H+]1CCOC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024818998	1	53	0.0	-76.60	417.74	1.93	-74.67
CC[N@H+]1CCOC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024818998	1	53	0.0	-73.46	421.52	1.89	-71.57
CC1=C[NH+]=CN1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819018	1	47	0.0	-70.36	401.47	3.48	-66.88
C[C@@H]1[C@H](C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024819023	0	52	0.0	-78.06	406.64	1.98	-76.08
C[C@@H]1[C@H](C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024819023	1	52	0.0	-72.14	416.67	2.70	-69.44
CC[C@@H]1[C@@H](C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024819025	0	55	0.0	-73.07	432.63	2.79	-70.28
CC[C@@H]1[C@@H](C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024819025	1	55	0.0	-72.78	433.63	3.04	-69.74
CC1CCC(C)[NH+]1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819030	0	55	0.0	-68.33	430.20	2.98	-65.35
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)CCC[NH+]1CCCC1)C1CC1	REAL300024819032	0	55	0.0	-69.85	441.40	3.83	-66.02
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)CC[NH+]1CCCCC1)C1CC1	REAL300024819036	0	55	0.0	-70.42	435.57	3.73	-66.69
CC[N@@H+]1CCCCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819039	0	55	0.0	-68.61	422.90	3.00	-65.61
CC[N@H+]1CCCCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819039	1	55	0.0	-67.40	421.90	2.87	-64.53
C[N@H+](CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024819119	0	52	0.0	-70.01	419.11	3.06	-66.95
C[N@@H+](CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024819119	1	52	0.0	-71.11	419.06	3.09	-68.02
C[NH+]1CCC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024819143	0	52	0.0	-73.07	412.26	2.74	-70.33
C[N@@H+]1CCC[C@@H]1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819165	0	49	0.0	-70.86	395.70	1.78	-69.08
C[N@H+]1CCC[C@@H]1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819165	1	49	0.0	-68.81	402.02	2.08	-66.73
C#CC[N@H+]1CCC[C@H]1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819182	1	51	0.0	-70.47	417.84	2.82	-67.65
C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819182	1	51	0.0	-70.12	420.38	3.12	-67.00
C[N@@H+]1CCCC1CCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819187	0	55	0.0	-73.12	439.13	3.67	-69.45
C[N@H+]1CCCC1CCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819187	1	55	0.0	-70.61	434.28	3.36	-67.25
C[N@@H+]1CCCCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819250	0	52	0.0	-66.82	416.28	2.77	-64.05
C[N@H+]1CCCCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819250	1	52	0.0	-68.27	417.02	2.78	-65.49
CC1C(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024819299	0	52	0.0	-72.27	413.56	2.20	-70.07
CC1C(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024819299	1	52	0.0	-72.00	422.94	2.63	-69.37
CC(C)(C)[N@@H+]1CCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819349	0	55	0.0	-67.58	420.17	2.17	-65.41
CC(C)(C)[N@H+]1CCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819349	1	55	0.0	-68.10	417.42	2.11	-65.99
C[C@@H](C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024819362	0	48	0.0	-69.85	386.11	1.43	-68.42
C=CCC(C)(C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024819374	0	55	0.0	-65.38	416.78	2.49	-62.89
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)CC[NH+]1CCCC1)C1CC1	REAL300024819386	0	52	0.0	-72.19	419.85	2.98	-69.21
C[N@H+](CCO)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819394	1	49	0.0	-72.00	402.79	-1.43	-73.43
C[N@@H+](CCO)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819394	1	49	0.0	-72.66	400.97	-1.48	-74.14
C[N@H+]1CC=C(CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024819440	0	53	0.0	-71.46	431.89	3.44	-68.02
C[N@@H+]1CC=C(CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024819440	1	53	0.0	-69.49	431.90	3.43	-66.06
C[N@@H+]1CC(O)CC1(C)C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819458	0	53	0.0	-72.69	406.87	-1.62	-74.31
C[N@H+]1CC(O)CC1(C)C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819458	1	53	0.0	-73.68	412.58	-1.32	-75.00
CC1C[NH+](CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024819484	1	49	0.0	-70.61	401.74	2.30	-68.31
CC[N@@H+]1CCCC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024819490	0	55	0.0	-68.38	430.30	3.33	-65.05
CC[N@H+]1CCCC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024819490	1	55	0.0	-68.18	432.25	3.34	-64.84
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1CCC[N@@H+]1C1CC1)C1CC1	REAL300024819501	0	53	0.0	-68.81	427.01	3.13	-65.68
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1CCC[N@H+]1C1CC1)C1CC1	REAL300024819501	1	53	0.0	-69.36	426.18	3.06	-66.30
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C=CC[NH+]1CCCC1)C1CC1	REAL300024819522	0	53	0.0	-74.25	435.37	3.78	-70.47
CC[N@H+](C)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819559	0	48	0.0	-71.34	392.43	1.79	-69.55
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)CN1CC2C=CC1C2)C1CC1	REAL300024819588	0	51	0.0	-68.97	412.91	3.33	-65.64
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C[N@@H+]1CC2C=CC1C2)C1CC1	REAL300024819588	1	51	0.0	-69.73	413.66	3.11	-66.62
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C[N@H+]1CC2C=CC1C2)C1CC1	REAL300024819588	1	51	0.0	-69.73	413.66	3.11	-66.62
COCCN(C)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819663	0	52	0.0	-72.90	425.24	0.96	-71.94
COCC[N@H+](C)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819663	1	52	0.0	-74.38	423.16	0.95	-73.43
COCC[N@@H+](C)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819663	1	52	0.0	-74.38	423.16	0.95	-73.43
CC(CCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024819666	0	54	0.0	-78.52	426.27	2.86	-75.66
CC[N@H+](CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024819679	0	52	0.0	-67.39	418.08	3.09	-64.30
C[N@@H+]1CC2CC1(C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300024819704	0	50	0.0	-71.48	401.57	2.03	-69.45
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C[N@@H+]1CC2CCC1C2)C1CC1	REAL300024819711	0	53	0.0	-67.91	418.28	3.26	-64.65
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C[N@H+]1CC2CCC1C2)C1CC1	REAL300024819711	1	53	0.0	-67.91	418.28	3.26	-64.65
CC(C[NH+](C)C)C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819724	0	51	0.0	-68.49	411.17	2.45	-66.04
CCN1CCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819752	0	49	0.0	-69.46	395.48	1.75	-67.71
CC[N@@H+]1CCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819752	1	49	0.0	-70.81	406.26	2.12	-68.69
CC[N@H+]1CCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819752	1	49	0.0	-70.81	406.26	2.12	-68.69
CCC(C)(C)[NH2+]C(C)C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819758	0	57	0.0	-65.61	436.40	1.62	-63.99
CCCC(C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024819788	0	54	0.0	-70.90	421.40	2.77	-68.13
C[NH+](C)C(C)(C)C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819792	0	51	0.0	-74.56	392.06	1.39	-73.17
CC(CC[NH+](C)C)C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819805	0	54	0.0	-69.64	430.45	3.01	-66.63
C[N@@H+]1CC(C)(C)CC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819853	0	55	0.0	-69.17	437.70	3.16	-66.01
C[N@H+]1CC(C)(C)CC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819853	1	55	0.0	-69.17	437.70	3.16	-66.01
C[NH+](C)CCCCCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819855	0	57	0.0	-74.96	459.60	4.04	-70.92
CN1CCN(CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024819862	0	54	0.0	-71.06	430.69	0.65	-70.41
C[NH+]1CCN(CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024819862	1	54	0.0	-71.06	430.69	0.65	-70.41
CC1CN(C)CC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300024819903	0	53	0.0	-75.47	424.93	1.98	-73.49
CC1C[N@H+](C)CC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300024819903	1	53	0.0	-75.75	424.91	2.03	-73.72
CC1C[N@@H+](C)CC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300024819903	1	53	0.0	-75.75	424.91	2.03	-73.72
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C[NH+]1CC2CC2C1)C1CC1	REAL300024819930	0	50	0.0	-71.61	410.14	3.01	-68.60
C[N@@H+]1CCCCC1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024819947	0	52	0.0	-68.27	417.02	2.78	-65.49
C[N@@H+]1CCC(=CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024820005	0	50	0.0	-76.65	409.37	2.69	-73.96
C[N@H+]1CCC(=CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024820005	1	50	0.0	-76.65	409.37	2.69	-73.96
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)CNC1=CC=[NH+]C=C1)C1CC1	REAL300024820007	0	48	0.0	-73.37	408.47	0.36	-73.01
C[NH+](C)C1(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCCC1	REAL300024820057	0	55	0.0	-72.55	415.80	2.41	-70.14
C[N@@H+]1CCC[C@H]1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820073	0	49	0.0	-69.95	393.91	1.65	-68.30
C[N@H+]1CCC[C@H]1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820073	1	49	0.0	-69.95	393.91	1.65	-68.30
C[NH+](C)[C@H]1C[C@H](C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024820151	0	52	0.0	-74.33	424.98	2.92	-71.41
C[NH+](C)CCC1(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024820159	0	55	0.0	-76.83	448.67	3.53	-73.30
C[N@@H+]1CC=CCC1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820160	0	53	0.0	-75.82	426.30	3.25	-72.57
C[N@H+]1CC=CCC1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820160	1	53	0.0	-66.83	423.60	3.25	-63.58
C[NH+](C)CCOCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820188	0	52	0.0	-71.79	428.62	2.22	-69.57
[NH2+]=C1SC=CN1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820212	0	45	0.0	-67.22	399.82	1.26	-65.96
C[N@@H+]1CCCC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024820268	0	52	0.0	-65.72	406.47	2.89	-62.83
C[N@H+]1CCCC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024820268	1	52	0.0	-65.72	406.47	2.89	-62.83
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C[NH+]1CCCCCC1)C1CC1	REAL300024820269	0	55	0.0	-71.56	429.63	3.63	-67.93
CN1C=C[N+](CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1	REAL300024820272	0	47	0.0	-69.08	403.98	4.58	-64.50
C[N@H+](CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024820292	0	49	0.0	-70.57	402.23	2.52	-68.05
CC(CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024820310	0	54	0.0	-77.20	429.35	3.10	-74.10
CN1CCOCC1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820327	0	53	0.0	-79.56	425.34	1.00	-78.56
C[N@@H+]1CCOCC1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820327	1	53	0.0	-67.06	416.12	0.77	-66.29
C[N@H+]1CCOCC1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820327	1	53	0.0	-67.06	416.12	0.77	-66.29
CC1(O)CC[N@H+](CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024820388	0	53	0.0	-72.14	429.86	-0.27	-72.41
C[NH+]1CC(CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024820409	0	49	0.0	-70.80	404.33	2.10	-68.70
C[N@H+](CCO)CCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820432	0	52	0.0	-74.26	423.23	-0.90	-75.16
C[N@@H+](CCO)CCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820432	1	52	0.0	-74.26	423.23	-0.90	-75.16
C[N@@H+]1CCCCC1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820447	0	55	0.0	-71.73	430.82	3.39	-68.34
C[N@H+]1CCCCC1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820447	1	55	0.0	-71.73	430.82	3.39	-68.34
CC1CCN1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820459	0	49	0.0	-67.57	397.51	1.96	-65.61
CC1CC[N@@H+]1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820459	1	49	0.0	-71.76	404.01	2.14	-69.62
CC1CC[N@H+]1CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820459	1	49	0.0	-71.76	404.01	2.14	-69.62
C[NH+](C)CC=CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820465	0	49	0.0	-75.53	409.04	2.58	-72.95
CC1(C)CN(CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024820470	0	52	0.0	-71.21	423.82	2.94	-68.27
CC1(C)C[NH+](CC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024820470	1	52	0.0	-71.21	423.82	2.94	-68.27
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C[N@H+]1CCCC1CO)C1CC1	REAL300024820504	0	53	0.0	-69.07	421.18	-0.76	-69.83
CC[NH+](CC)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820506	0	51	0.0	-70.36	408.45	2.42	-67.94
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)CN1CCC1)C1CC1	REAL300024820515	0	46	0.0	-70.26	381.94	1.62	-68.64
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C[NH+]1CCC1)C1CC1	REAL300024820515	1	46	0.0	-70.26	381.94	1.62	-68.64
CC[NH+](CC)CCC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820543	0	54	0.0	-69.90	429.33	3.19	-66.71
CCC(CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024820598	0	57	0.0	-74.83	443.66	3.63	-71.20
C[NH+](C)CC(C)(C)C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820603	0	54	0.0	-73.56	412.23	2.12	-71.44
C[N@@H+]1CCCC[C@@H]1C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820632	0	52	0.0	-66.78	416.31	2.77	-64.01
C[NH+](C)CC(O)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820651	0	52	0.0	-78.10	425.38	0.23	-77.87
C=CCC(C(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024820671	0	52	0.0	-66.93	417.26	2.93	-64.00
C[NH+]1CCC(C)(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024820682	0	55	0.0	-68.10	422.61	2.59	-65.51
NC(=[NH2+])SCC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820703	0	43	0.0	-74.41	383.03	-1.91	-76.32
C[NH+](C)CCC1(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024820726	0	55	0.0	-80.63	449.17	3.79	-76.84
C[N@@H+]1CC=CCC1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820727	0	53	0.0	-73.53	422.90	3.28	-70.25
C[N@H+]1CC=CCC1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820727	1	53	0.0	-73.53	422.90	3.28	-70.25
CCC1C[NH+](CC(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024820808	1	52	0.0	-72.29	427.16	3.08	-69.21
C[N@H+]1CCC[C@H]1C(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820813	1	49	0.0	-72.75	392.76	1.71	-71.04
O=C(C[NH+]1CCCCC1)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820830	0	52	0.0	-70.51	415.09	3.28	-67.23
CC1C(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024820835	0	52	0.0	-73.64	414.99	2.80	-70.84
CC1C(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024820835	1	52	0.0	-71.77	414.35	2.60	-69.17
CN1CCOCC1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820863	0	53	0.0	-69.29	414.84	0.91	-68.38
C[N@@H+]1CCOCC1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820863	1	53	0.0	-64.47	416.27	1.07	-63.40
C[N@H+]1CCOCC1CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024820863	1	53	0.0	-69.29	414.84	0.91	-68.38
CCOCC(N=[N+]=[N-])C(=O)NCCN(C(=O)CSC1=NC(=O)NN1)C1CC1	REAL300024820870	0	49	0.0	-23.07	424.71	-2.37	-25.44
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024821073	0	45	0.0	-72.13	368.17	0.34	-71.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024821073	1	45	0.0	-68.70	371.58	0.68	-68.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CCO1	REAL300024821097	0	46	0.0	-85.16	382.45	0.09	-85.07
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300024821097	1	46	0.0	-70.39	375.02	-0.08	-70.47
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300024821097	1	46	0.0	-85.16	382.45	0.09	-85.07
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821272	1	52	0.0	-67.40	433.96	2.98	-64.42
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300024821279	0	54	0.0	-68.16	417.41	2.54	-65.62
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821281	0	54	0.0	-66.19	411.54	2.04	-64.15
CC(C)[N@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821281	1	54	0.0	-65.05	419.95	2.27	-62.78
CC(C)[N@@H+]1CCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821307	0	51	0.0	-67.47	404.02	1.74	-65.73
CC(C)[N@H+]1CCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821307	1	51	0.0	-68.56	395.60	1.85	-66.71
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024821331	0	52	0.0	-71.88	412.55	2.35	-69.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024821331	1	52	0.0	-75.21	415.22	2.42	-72.79
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821358	1	49	0.0	-67.04	414.47	2.54	-64.50
CC1=[NH+]C=CN1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821405	1	43	0.0	-68.92	377.98	1.39	-67.53
CC(C[NH+]1CCOCC1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821407	0	52	0.0	-74.54	415.21	0.26	-74.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCCC1	REAL300024821426	0	54	0.0	-73.59	433.86	3.04	-70.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300024821449	0	54	0.0	-71.16	411.02	2.12	-69.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCC1CC2	REAL300024821463	0	49	0.0	-75.93	386.53	1.34	-74.59
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300024821513	0	52	0.0	-67.79	401.45	1.96	-65.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC2CCC[N@H+]21	REAL300024821513	1	52	0.0	-64.87	408.58	2.37	-62.50
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300024821515	0	51	0.0	-80.98	428.16	0.92	-80.06
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300024821525	0	51	0.0	-87.04	430.73	1.64	-85.40
C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024821531	0	48	0.0	-73.43	382.89	1.05	-72.38
C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024821531	1	48	0.0	-74.65	390.62	1.05	-73.60
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821534	1	52	0.0	-67.48	434.77	3.06	-64.42
CC[C@@H]1[C@@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024821537	0	51	0.0	-73.73	405.01	1.39	-72.34
CC[C@@H]1[C@@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024821537	1	51	0.0	-73.48	410.15	1.87	-71.61
CC[N@@H+]1CCOC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024821560	1	49	0.0	-80.41	399.87	0.74	-79.67
CC[N@H+]1CCOC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024821560	1	49	0.0	-77.00	391.88	0.52	-76.48
CC[NH+](CC)CC(F)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821612	0	50	0.0	-74.93	411.17	1.82	-73.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(C[NH+](C)C)C=CS1	REAL300024821613	0	48	0.0	-72.12	422.04	2.28	-69.84
CC1CCC(C)[NH+]1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821704	0	51	0.0	-67.68	405.55	1.68	-66.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCC1	REAL300024821710	0	51	0.0	-73.39	418.65	2.38	-71.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C[NH+](C)C)=CC=C1	REAL300024821711	0	51	0.0	-74.85	424.94	2.95	-71.90
C#CC[NH+]1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024821717	0	50	0.0	-78.20	413.13	2.37	-75.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCC1	REAL300024821718	0	51	0.0	-73.23	412.36	2.23	-71.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC=C1C[NH+](C)C	REAL300024821722	0	51	0.0	-61.88	421.76	2.94	-58.94
CC[N@@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821728	0	51	0.0	-67.71	394.97	1.55	-66.16
CC[N@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821728	1	51	0.0	-67.70	394.98	1.55	-66.15
CC(C)C(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024821729	0	57	0.0	-69.29	434.40	3.49	-65.80
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300024821732	1	51	0.0	-68.16	416.41	3.01	-65.15
CC(C)C[N@@H+]1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024821752	0	54	0.0	-72.09	433.48	2.73	-69.36
CC(C)C[N@H+]1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024821752	1	54	0.0	-74.39	430.93	2.62	-71.77
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300024821756	0	48	0.0	-75.92	380.65	1.03	-74.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300024821757	1	51	0.0	-65.41	415.79	1.24	-64.17
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821762	0	54	0.0	-65.96	417.49	2.37	-63.59
CC(C)[N@H+]1CCCC1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821762	1	54	0.0	-63.08	417.89	2.36	-60.72
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300024821763	0	55	0.0	-70.27	418.70	2.90	-67.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C1CCCC1	REAL300024821763	1	55	0.0	-68.69	431.09	3.19	-65.50
CC(C)[C@@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024821779	0	50	0.0	-68.99	391.12	1.41	-67.58
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300024821833	0	48	0.0	-69.90	394.93	1.77	-68.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300024821833	1	48	0.0	-69.78	394.77	1.76	-68.02
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300024821906	0	54	0.0	-65.66	418.57	2.12	-63.54
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300024821967	0	50	0.0	-69.46	423.56	1.51	-67.95
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821975	1	47	0.0	-67.75	394.21	1.56	-66.19
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024821975	1	47	0.0	-68.85	397.19	1.85	-67.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL300024821982	0	51	0.0	-71.70	410.75	1.87	-69.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL300024821982	1	51	0.0	-76.68	416.20	2.33	-74.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+](CCC1)C2	REAL300024821994	0	52	0.0	-73.22	396.18	1.49	-71.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300024822001	0	52	0.0	-67.36	408.27	2.27	-65.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCCC[N@H+]21	REAL300024822001	1	52	0.0	-68.69	409.62	2.28	-66.41
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+]1CCCC1	REAL300024822026	0	54	0.0	-74.12	440.14	3.16	-70.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300024822028	1	51	0.0	-76.24	425.52	3.40	-72.84
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300024822028	1	51	0.0	-76.21	425.47	3.40	-72.81
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024822042	0	48	0.0	-76.95	389.78	1.28	-75.67
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024822092	1	47	0.0	-80.40	404.17	1.11	-79.29
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=CC2=C[NH+]=CN21	REAL300024822093	0	46	0.0	-76.94	401.92	3.56	-73.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024822128	0	48	0.0	-68.93	377.23	0.90	-68.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024822128	1	48	0.0	-72.60	381.63	1.02	-71.58
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024822153	0	54	0.0	-69.68	432.92	2.81	-66.87
CC(C)C[N@H+]1CCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024822153	1	54	0.0	-69.36	429.60	2.81	-66.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024822273	0	43	0.0	-77.37	383.61	3.17	-74.20
CC1=[NH+]C=CN1CCCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024822283	1	49	0.0	-70.13	419.79	2.75	-67.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300024822291	0	51	0.0	-82.65	423.76	2.94	-79.71
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCOCC1	REAL300024822292	1	49	0.0	-76.53	403.82	-0.15	-76.68
CC1=C[NH+]=CN1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024822328	1	43	0.0	-70.40	377.53	2.10	-68.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=[NH+]C2=C1CCCC2	REAL300024822335	1	50	0.0	-69.40	420.41	3.87	-65.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300024822373	0	57	0.0	-79.20	421.63	3.03	-76.17
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300024822379	0	57	0.0	-75.00	447.23	3.44	-71.56
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300024822379	1	57	0.0	-74.70	447.23	3.43	-71.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+]1CCC2	REAL300024822381	0	49	0.0	-67.05	386.41	1.17	-65.88
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC([NH+](C)C)C1	REAL300024822418	0	54	0.0	-67.45	416.21	2.21	-65.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300024822421	0	48	0.0	-74.92	395.26	1.44	-73.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300024822421	1	48	0.0	-75.07	395.08	1.43	-73.64
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024822433	0	47	0.0	-80.46	400.19	-0.40	-80.86
CCC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024822438	0	47	0.0	-69.89	379.42	0.91	-68.98
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1([NH+](C)C)CCCC1	REAL300024822455	0	54	0.0	-75.53	412.64	2.27	-73.26
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024822504	1	43	0.0	-78.76	375.87	2.97	-75.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300024822568	0	50	0.0	-75.47	414.18	1.98	-73.49
CC(C)C(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024822588	0	50	0.0	-69.65	392.63	1.70	-67.95
CCC[N@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024822590	0	50	0.0	-74.58	410.41	1.81	-72.77
CCC[N@@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024822590	1	50	0.0	-74.81	410.14	1.79	-73.02
CCC[N@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024822596	0	47	0.0	-71.63	388.04	1.21	-70.42
CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024822596	1	47	0.0	-71.64	388.05	1.21	-70.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@H+](C1)CCC2	REAL300024822623	0	49	0.0	-81.17	380.94	0.60	-80.57
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300024822623	1	49	0.0	-80.31	380.83	0.64	-79.67
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024822670	0	45	0.0	-69.47	371.24	0.66	-68.81
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024822670	1	45	0.0	-71.58	367.66	0.34	-71.24
CC1CC2CCC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C[N@@H+]2C1	REAL300024822694	0	55	0.0	-70.26	432.07	2.86	-67.40
CC1CC2CCC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C[N@H+]2C1	REAL300024822694	1	55	0.0	-70.33	432.15	2.85	-67.48
CCCCCC[N@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024822738	0	56	0.0	-73.12	452.26	3.54	-69.58
CCCCCC[N@@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024822738	1	56	0.0	-73.03	452.27	3.54	-69.49
CC[NH+](CC)C(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024822744	0	56	0.0	-67.60	428.76	2.41	-65.19
CC[NH+](CC)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024822753	0	47	0.0	-69.95	380.13	0.86	-69.09
CCC[N@@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024822786	0	54	0.0	-66.47	421.43	2.74	-63.73
CCC[N@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024822786	1	54	0.0	-71.86	427.59	2.56	-69.30
CC(C)[N@@H+]1CCOC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024822807	0	52	0.0	-68.37	409.61	1.08	-67.29
CC(C)[N@H+]1CCOC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024822807	1	52	0.0	-74.84	408.62	1.03	-73.81
CC1CC[NH+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024822842	0	51	0.0	-72.20	411.61	2.28	-69.92
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COC1CC[NH+](C)CC1	REAL300024822876	0	52	0.0	-79.50	428.77	1.97	-77.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300024822891	0	48	0.0	-69.46	397.12	1.39	-68.07
CC1=[NH+]C=C2CCC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)CN21	REAL300024822892	1	50	0.0	-67.62	414.16	2.34	-65.28
CC(C)[NH+]1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024822981	0	54	0.0	-75.39	420.75	2.24	-73.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024823003	0	48	0.0	-76.95	389.78	1.28	-75.67
CC(C)[C@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024823023	0	50	0.0	-69.92	393.03	1.58	-68.34
CCC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024823057	0	53	0.0	-65.85	409.82	1.95	-63.90
CC[N@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823130	0	47	0.0	-73.90	388.91	1.07	-72.83
CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823130	1	47	0.0	-74.03	388.64	1.05	-72.98
CC[NH+](CC)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824151	0	50	0.0	-73.19	402.42	1.48	-71.71
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[NH+](C)CC1	REAL300024824167	0	49	0.0	-72.76	401.64	2.10	-70.66
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024824180	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	REAL300024824186	0	57	0.0	-74.36	455.36	3.83	-70.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024824217	0	49	0.0	-71.69	405.36	-1.79	-73.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)(O)C1	REAL300024824217	1	49	0.0	-71.68	405.22	-1.81	-73.49
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024824226	0	45	0.0	-76.78	384.95	1.06	-75.72
CC(OCC[NH+](C)C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824250	0	51	0.0	-73.70	420.88	1.40	-72.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCOCC[NH+](C)C	REAL300024824261	0	51	0.0	-73.90	425.64	0.63	-73.27
COCC[N@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824262	1	48	0.0	-71.57	398.65	-0.39	-71.96
COCC[N@@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824262	1	48	0.0	-72.25	398.88	-0.38	-72.63
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCCC1	REAL300024824310	0	51	0.0	-73.45	389.83	1.43	-72.02
CC(CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024824313	0	50	0.0	-72.18	406.17	1.59	-70.59
CC[N@@H+]1CCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824323	0	45	0.0	-71.51	378.68	0.67	-70.84
CC[N@H+]1CCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824323	1	45	0.0	-71.36	378.95	0.68	-70.68
CC(C)[N@@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024824334	0	54	0.0	-65.64	416.59	2.52	-63.12
CC(C)[N@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024824334	1	54	0.0	-71.28	424.18	2.41	-68.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCCC1CO	REAL300024824348	0	49	0.0	-71.14	403.45	-1.53	-72.67
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCCC1CO	REAL300024824348	1	49	0.0	-70.65	403.66	-1.64	-72.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024824374	0	52	0.0	-71.88	412.55	2.35	-69.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024824374	1	52	0.0	-75.21	415.22	2.42	-72.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC[NH+](C)CC1	REAL300024824381	0	51	0.0	-73.54	396.83	1.37	-72.17
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024824387	0	49	0.0	-78.33	410.84	1.36	-76.97
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300024824405	0	52	0.0	-74.15	417.52	-1.40	-75.55
C=CCC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024824417	0	48	0.0	-66.93	389.73	1.18	-65.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024824434	0	51	0.0	-68.22	406.68	1.47	-66.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300024824434	1	51	0.0	-71.57	407.17	1.49	-70.08
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCCC[NH+](C)C	REAL300024824438	0	53	0.0	-74.88	435.68	2.76	-72.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024824448	0	46	0.0	-71.68	384.16	1.67	-70.01
CC1C[N@@H+]2CCN1C(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024824482	0	51	0.0	-75.34	398.43	-1.51	-76.85
CC1C[N@H+]2CCN1C(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024824482	1	51	0.0	-81.91	398.04	-1.52	-83.43
CCCC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024824483	0	50	0.0	-68.35	397.78	1.46	-66.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024824488	0	47	0.0	-72.88	369.02	0.53	-72.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024824533	0	48	0.0	-68.93	377.23	0.90	-68.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024824533	1	48	0.0	-72.60	381.63	1.02	-71.58
CN(CCNC(=O)CSC1=NC(=O)NN1)C(=O)CCC(F)(F)CN=[N+]=[N-]	REAL300024824545	0	44	0.0	-23.47	400.71	-2.19	-25.66
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@H+](C)CC1	REAL300024824580	0	49	0.0	-71.43	407.96	2.17	-69.26
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300024824580	1	49	0.0	-69.53	407.95	2.17	-67.36
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300024824589	0	52	0.0	-70.09	412.80	2.51	-67.58
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300024824641	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	REAL300024824641	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	REAL300024824646	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	REAL300024824646	1	48	0.0	-81.73	409.56	1.62	-80.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300024824665	0	49	0.0	-75.49	408.55	2.11	-73.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300024824690	0	52	0.0	-73.47	414.48	2.47	-71.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024824713	0	48	0.0	-73.31	397.14	1.56	-71.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCN1CC2	REAL300024824755	0	48	0.0	-76.17	381.71	-2.11	-78.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024824765	0	46	0.0	-74.94	375.66	0.77	-74.17
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300024824779	0	49	0.0	-69.58	394.96	1.89	-67.69
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2CCC1C2	REAL300024824779	1	49	0.0	-69.58	394.96	1.89	-67.69
CC(C)[NH+]1CCC(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024824790	0	57	0.0	-69.51	442.69	3.17	-66.34
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300024824837	0	50	0.0	-68.24	404.13	2.21	-66.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC2C=CC1C2	REAL300024824848	0	47	0.0	-68.67	387.35	1.64	-67.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024824848	1	47	0.0	-70.05	388.03	1.77	-68.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300024824848	1	47	0.0	-70.05	388.03	1.77	-68.28
CC(C[NH+](C)C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824907	0	47	0.0	-74.22	382.04	0.80	-73.42
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@@H+]1C	REAL300024824996	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	REAL300024824996	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	REAL300024825016	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	REAL300024825016	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	REAL300024825021	0	45	0.0	-69.64	374.60	0.60	-69.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(O)C[NH+](C)C	REAL300024825026	0	48	0.0	-77.57	401.41	-1.13	-78.70
CC1CN(C)CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024825059	0	49	0.0	-86.60	394.96	0.38	-86.22
CC1C[N@H+](C)CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024825059	1	49	0.0	-82.48	396.65	0.41	-82.07
CC1C[N@@H+](C)CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024825059	1	49	0.0	-82.48	396.65	0.41	-82.07
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCC(O)CC1	REAL300024825070	0	52	0.0	-76.41	423.90	-1.07	-77.48
CCC[N@@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024825073	0	54	0.0	-71.85	420.98	2.48	-69.37
CCC[N@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024825073	1	54	0.0	-71.85	420.98	2.48	-69.37
CC[NH+]1CCN(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024825078	0	56	0.0	-74.64	447.15	0.49	-74.15
CCN1CC[NH+](CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024825078	1	56	0.0	-74.64	447.15	0.49	-74.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300024825081	0	55	0.0	-66.48	418.58	3.00	-63.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300024825081	1	55	0.0	-66.48	418.58	3.00	-63.48
CC(C)C[NH+]1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024825122	0	57	0.0	-77.75	445.03	3.30	-74.45
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC([NH+](C)C)CC1	REAL300024825147	0	56	0.0	-72.18	442.15	0.49	-71.69
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024825167	0	48	0.0	-74.87	398.09	1.54	-73.33
CC(CC[NH+](C)C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024825175	0	50	0.0	-74.39	403.67	1.42	-72.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300024825201	0	52	0.0	-70.44	419.54	-0.99	-71.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300024825201	1	52	0.0	-67.20	419.29	-0.80	-68.00
C#CC[N@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024825210	1	50	0.0	-68.80	413.66	2.52	-66.28
C#CC[N@@H+]1CCCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024825210	1	50	0.0	-67.30	414.49	2.57	-64.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC[NH+](C)CC1	REAL300024825214	1	50	0.0	-72.01	407.95	-0.69	-72.70
CC[NH+]1CCN(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024825224	0	53	0.0	-70.98	425.30	-0.05	-71.03
CN(CCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825401	0	45	0.0	-69.82	368.85	0.43	-69.39
CN(CCNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825401	1	45	0.0	-72.88	368.50	0.41	-72.47
CN(CCNC(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825427	1	46	0.0	-85.71	385.93	0.31	-85.40
CN(CCNC(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825427	1	46	0.0	-85.51	386.22	0.33	-85.18
CC1=[NH+]C=CN1CCCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825590	1	49	0.0	-71.77	419.79	2.78	-68.99
CN(CCNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825598	0	51	0.0	-83.74	426.74	3.35	-80.39
CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825599	1	49	0.0	-76.90	404.08	-0.12	-77.02
CN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825631	0	49	0.0	-75.09	393.47	1.87	-73.22
CN(CCNC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825646	1	43	0.0	-79.42	378.99	3.37	-76.05
CN(CCNC(=O)C1CCCC([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825712	0	54	0.0	-68.18	420.86	2.53	-65.65
CN(CCNC(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825715	0	48	0.0	-76.92	395.14	1.47	-75.45
CN(CCNC(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825715	1	48	0.0	-75.85	395.36	1.47	-74.38
CN(C)C1=CC=[NH+]C=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825727	0	47	0.0	-80.95	399.57	0.68	-80.27
CCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024825732	0	47	0.0	-68.23	379.47	0.87	-67.36
CC1CC2CCC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C[N@@H+]2C1	REAL300024825782	0	55	0.0	-66.58	430.78	3.40	-63.18
CC1CC2CCC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C[N@H+]2C1	REAL300024825782	1	55	0.0	-64.07	430.77	3.44	-60.63
CN(CCNC(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825809	0	50	0.0	-76.48	414.18	2.01	-74.47
CC(C)C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024825831	0	50	0.0	-71.84	397.87	2.13	-69.71
CCC[N@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825833	0	50	0.0	-75.24	410.14	1.81	-73.43
CCC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825833	1	50	0.0	-75.23	410.41	1.83	-73.40
CCC[N@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825839	0	47	0.0	-72.23	388.04	1.29	-70.94
CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825839	1	47	0.0	-72.19	387.78	1.26	-70.93
CN(CCNC(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825866	0	49	0.0	-77.43	390.48	1.09	-76.34
CN(CCNC(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825866	1	49	0.0	-80.64	390.48	1.09	-79.55
CCCCCC[N@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825907	0	56	0.0	-73.45	452.54	3.63	-69.82
CCCCCC[N@@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825907	1	56	0.0	-73.39	452.54	3.62	-69.77
CC[NH+](CC)C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024825913	0	56	0.0	-68.80	428.71	3.01	-65.79
CC1CC[NH+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024825949	0	51	0.0	-72.58	411.78	2.37	-70.21
CN(CCNC(=O)COC1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825983	0	52	0.0	-80.85	428.77	1.97	-78.88
CN(CCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826045	0	52	0.0	-73.99	415.96	2.54	-71.45
CN(CCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826045	1	52	0.0	-71.96	416.05	2.61	-69.35
CN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826057	0	48	0.0	-78.18	399.20	1.57	-76.61
CC1=[NH+]C=C2CCC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)CN21	REAL300024826058	1	50	0.0	-68.10	416.89	2.62	-65.48
CC(C)[NH+]1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024826070	0	54	0.0	-75.68	424.07	2.49	-73.19
CC[N@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826097	0	47	0.0	-74.50	388.64	1.08	-73.42
CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826097	1	47	0.0	-74.49	388.91	1.09	-73.40
CN(CCNC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826126	0	54	0.0	-72.40	417.92	2.83	-69.57
CN(CCNC(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826140	0	49	0.0	-80.79	390.18	1.67	-79.12
CN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826223	0	48	0.0	-78.64	393.40	1.54	-77.10
CC(C)[C@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024826243	0	50	0.0	-71.35	393.62	1.41	-69.94
CN(CCNC(=O)C1CC[NH+](CC2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826316	0	55	0.0	-78.54	442.33	3.73	-74.81
CC[NH+](CC)CC(F)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826356	0	50	0.0	-71.63	408.09	1.61	-70.02
CN(CCNC(=O)C1=C(C[NH+](C)C)C=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826357	0	48	0.0	-61.82	413.94	2.50	-59.32
CC(C)C[N@@H+]1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024826395	0	54	0.0	-73.40	433.92	2.84	-70.56
CC(C)C[N@H+]1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024826395	1	54	0.0	-73.50	433.52	2.79	-70.71
CN(CCNC(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826399	0	48	0.0	-77.24	379.39	1.40	-75.84
CCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024826433	0	53	0.0	-65.87	411.41	1.89	-63.98
CC1CCC[N@@H+]1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826456	0	48	0.0	-68.70	387.52	1.26	-67.44
CC1CCC[N@H+]1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826456	1	48	0.0	-69.25	393.98	1.65	-67.60
CC(C)C1=[NH+]C=CN1CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826534	1	52	0.0	-67.89	434.23	3.03	-64.86
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300024826541	0	54	0.0	-68.44	419.64	2.64	-65.80
CC(C)[N@@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826543	0	54	0.0	-66.97	421.91	2.37	-64.60
CC(C)[N@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826543	1	54	0.0	-67.11	421.61	2.35	-64.76
CC(C)[N@@H+]1CCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826569	0	51	0.0	-67.27	410.64	2.09	-65.18
CC(C)[N@H+]1CCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826569	1	51	0.0	-68.77	400.98	2.13	-66.64
CN(CCNC(=O)C(CN1C=CC=N1)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826574	1	51	0.0	-65.93	417.72	1.45	-64.48
CC(C)[N@@H+]1CCCC1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826579	0	54	0.0	-63.16	418.03	2.41	-60.75
CC(C)[N@H+]1CCCC1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826579	1	54	0.0	-71.45	428.15	2.50	-68.95
CN(CCNC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826580	0	55	0.0	-72.30	424.81	3.23	-69.07
CN(CCNC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826580	1	55	0.0	-70.18	434.79	3.26	-66.92
CC(C)[C@@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024826596	0	50	0.0	-69.23	398.11	2.12	-67.11
CC1CC[N@H+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024826619	0	48	0.0	-71.54	394.42	1.62	-69.92
CC1CC[N@@H+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024826619	1	48	0.0	-71.51	394.57	1.59	-69.92
CC1=[NH+]C=C2CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300024826621	1	50	0.0	-72.61	417.77	2.61	-70.00
CN(CCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826624	0	51	0.0	-71.48	414.38	2.13	-69.35
CN(CCNC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826624	1	51	0.0	-71.51	414.39	2.13	-69.38
CN(CCNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826625	0	53	0.0	-71.77	418.33	2.41	-69.36
CN(CCNC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826625	1	53	0.0	-72.29	416.38	2.26	-70.03
CC[C@@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024826636	0	47	0.0	-68.14	378.79	0.88	-67.26
CN(CCNC(=O)CCN(C)C1=CC=[NH+]C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826783	0	50	0.0	-70.35	423.28	1.53	-68.82
CC1=[NH+]C=CN1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826883	1	43	0.0	-69.58	378.25	1.49	-68.09
CC(C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826885	0	52	0.0	-75.21	420.13	0.61	-74.60
CN(CCNC(=O)CCC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826904	0	54	0.0	-74.61	433.60	3.05	-71.56
CN(CCNC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826924	1	47	0.0	-81.59	406.65	0.83	-80.76
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=CC2=C[NH+]=CN21	REAL300024826925	0	46	0.0	-74.36	401.14	3.62	-70.74
CC(C)C1=[NH+]C=CN1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826961	1	49	0.0	-68.06	414.19	2.58	-65.48
CN(CCNC(=O)C1CCCC2CCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827009	0	52	0.0	-65.11	413.45	2.71	-62.40
CN(CCNC(=O)C1CCCC2CCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827009	1	52	0.0	-65.83	413.33	2.70	-63.13
CC[N@@H+]1CCOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024827041	1	49	0.0	-71.30	396.59	0.80	-70.50
CC[N@H+]1CCOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024827041	1	49	0.0	-80.85	403.71	0.95	-79.90
CN(CCNC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827102	0	43	0.0	-74.36	378.71	3.35	-71.01
CC1=C[NH+]=CN1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827107	1	43	0.0	-71.25	377.26	2.16	-69.09
CN(CCNC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827110	0	51	0.0	-82.17	432.86	1.36	-80.81
CN(CCNC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827120	0	51	0.0	-87.18	433.23	1.37	-85.81
C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024827126	0	48	0.0	-76.00	385.14	0.83	-75.17
C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024827126	1	48	0.0	-72.59	390.89	1.37	-71.22
CCC1=[NH+]C=CN1C(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827129	1	52	0.0	-68.20	434.50	3.06	-65.14
CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024827132	0	51	0.0	-75.34	406.24	1.57	-73.77
CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024827132	1	51	0.0	-73.17	409.83	2.09	-71.08
CC1CCC(C)[NH+]1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827149	0	51	0.0	-68.27	405.58	1.74	-66.53
CN(CCNC(=O)CCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827155	0	51	0.0	-74.37	418.38	2.39	-71.98
CN(CCNC(=O)C1=CC(C[NH+](C)C)=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827156	0	51	0.0	-77.31	426.71	3.34	-73.97
C#CC[NH+]1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024827163	0	50	0.0	-78.45	418.32	2.73	-75.72
CN(CCNC(=O)CC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827164	0	51	0.0	-73.89	412.10	2.26	-71.63
CN(CCNC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827169	0	51	0.0	-60.63	419.63	3.61	-57.02
CC[N@@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827175	0	51	0.0	-69.40	398.91	1.95	-67.45
CC[N@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827175	1	51	0.0	-69.38	399.16	1.96	-67.42
CC(C)C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024827176	0	57	0.0	-67.67	434.19	3.84	-63.83
CN(CCNC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827179	1	51	0.0	-71.62	423.24	3.35	-68.27
CN(CCNC(=O)CN1C=[NH+]C2=C1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827184	1	50	0.0	-70.19	420.41	3.95	-66.24
CN(CCNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827223	0	57	0.0	-78.99	437.02	3.23	-75.76
CN(CCNC(=O)CC[N@H+](C)C1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827229	0	57	0.0	-75.68	446.96	3.46	-72.22
CN(CCNC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827229	1	57	0.0	-75.31	446.95	3.44	-71.87
CN(CCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827230	0	54	0.0	-76.47	412.38	2.28	-74.19
CN(CCNC(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827424	0	48	0.0	-70.08	394.66	1.83	-68.25
CN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827424	1	48	0.0	-70.08	395.03	1.86	-68.22
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300024827454	0	54	0.0	-66.01	418.17	2.36	-63.65
CN(CCNC(=O)CCCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827469	0	54	0.0	-75.13	439.87	3.17	-71.96
CN(CCNC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827471	1	51	0.0	-76.53	425.52	3.46	-73.07
CN(CCNC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827471	1	51	0.0	-76.83	425.20	3.45	-73.38
CN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827485	0	48	0.0	-78.64	393.40	1.54	-77.10
CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827540	0	45	0.0	-69.58	374.89	0.93	-68.65
CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827540	1	45	0.0	-69.81	368.84	0.43	-69.38
C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827564	1	47	0.0	-70.82	395.48	1.66	-69.16
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827564	1	47	0.0	-69.21	401.35	2.16	-67.05
CN(CCNC(=O)CCC1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827571	0	51	0.0	-72.53	410.77	1.90	-70.63
CN(CCNC(=O)CCC1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827571	1	51	0.0	-75.59	416.20	2.37	-73.22
CN(CCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827583	0	52	0.0	-73.67	405.93	2.06	-71.61
CN(CCNC(=O)C1CCC2CCCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827590	0	52	0.0	-69.91	410.54	2.37	-67.54
CN(CCNC(=O)C1CCC2CCCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827590	1	52	0.0	-67.91	409.61	2.34	-65.57
CCC[N@@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024827673	0	54	0.0	-72.92	432.29	2.88	-70.04
CCC[N@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024827673	1	54	0.0	-65.51	426.04	3.08	-62.43
CC(C)[N@@H+]1CCOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024827694	0	52	0.0	-69.81	413.32	1.33	-68.48
CC(C)[N@H+]1CCOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024827694	1	52	0.0	-81.43	420.48	1.47	-79.96
CN(CCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827729	0	48	0.0	-70.79	381.49	1.29	-69.50
CN(CCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827729	1	48	0.0	-70.73	381.46	1.29	-69.44
CC(C)C[N@@H+]1CCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827755	0	54	0.0	-69.23	427.47	2.51	-66.72
CC(C)C[N@H+]1CCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827755	1	54	0.0	-69.46	433.18	3.07	-66.39
CN(CCNC(=O)C[NH+]1CCC(CO)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827773	0	52	0.0	-73.82	422.34	-0.96	-74.78
CN(CCNC(=O)C=C1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827808	0	53	0.0	-72.34	421.86	2.82	-69.52
CC1C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024827826	0	48	0.0	-73.03	389.71	1.09	-71.94
CC1C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024827826	1	48	0.0	-70.81	390.02	1.08	-69.73
CN(CCNC(=O)CCC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827828	0	54	0.0	-72.91	429.57	2.77	-70.14
CN(CCNC(=O)CCC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827828	1	54	0.0	-72.00	429.90	2.79	-69.21
CN(CCNC(=O)CCC(F)(F)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024827922	0	44	0.0	-23.53	400.71	-2.15	-25.68
CN(CCNC(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827939	0	51	0.0	-69.02	394.33	1.09	-67.93
CN(CCNC(=O)C1CC[N@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827939	1	51	0.0	-69.27	393.03	1.40	-67.87
C[C@@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024827960	0	44	0.0	-69.91	366.65	0.25	-69.66
CN(CCNC(=O)C1=CC=NC(C[NH+](C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827979	1	50	0.0	-74.21	422.68	1.51	-72.70
C=CCC(C)(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024827983	0	51	0.0	-76.73	402.43	2.77	-73.96
CN(CCNC(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828013	0	48	0.0	-74.02	396.87	1.59	-72.43
CN(CCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828023	1	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	REAL300024828023	1	45	0.0	-72.99	376.68	-2.70	-75.69
CN(CCNC(=O)C1C[N@@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828066	0	51	0.0	-77.66	393.31	-1.06	-78.72
CN(CCNC(=O)C1C[N@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828066	1	51	0.0	-84.74	395.35	-0.34	-85.08
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300024828094	1	49	0.0	-72.31	404.19	1.72	-70.59
CN(CCNC(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828137	0	49	0.0	-72.37	407.69	2.19	-70.18
CN(CCNC(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828137	1	49	0.0	-70.50	407.68	2.19	-68.31
CN(CCNC(=O)C(O)CC[S+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828153	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	REAL300024828175	0	49	0.0	-79.34	396.69	-1.70	-81.04
CN(CCNC(=O)C1(C)CC(O)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828175	1	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	REAL300024828190	0	53	0.0	-70.91	421.20	0.05	-70.86
CN(CCNC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828190	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	REAL300024828191	0	52	0.0	-68.16	419.68	-1.24	-69.40
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCCC(O)C1	REAL300024828191	1	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	REAL300024828230	0	52	0.0	-69.97	418.87	0.21	-69.76
CN(CCNC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828230	1	52	0.0	-70.25	409.16	0.01	-70.24
CC1C[NH+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024828236	1	45	0.0	-72.39	379.82	0.95	-71.44
CC[N@@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024828243	0	51	0.0	-72.25	410.79	2.14	-70.11
CC[N@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024828243	1	51	0.0	-71.75	410.79	2.14	-69.61
CN(CCNC(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828266	0	49	0.0	-72.26	401.27	1.88	-70.38
CN(CCNC(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828266	1	49	0.0	-69.05	399.24	1.73	-67.32
CN(CCNC(=O)C=CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828315	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	REAL300024828340	0	52	0.0	-74.53	417.99	2.73	-71.80
CC[N@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828390	0	44	0.0	-71.88	366.28	0.53	-71.35
CN(CCNC(=O)CN1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828455	0	47	0.0	-70.38	387.93	1.84	-68.54
CN(CCNC(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828455	1	47	0.0	-67.99	387.91	1.74	-66.25
CN(CCNC(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828455	1	47	0.0	-67.99	387.91	1.74	-66.25
CC1=CC=C(NCCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024828479	0	50	0.0	-69.86	427.68	1.27	-68.59
CC1=CC=C(NCCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)[NH+]=C1	REAL300024828479	1	50	0.0	-69.86	427.68	1.27	-68.59
CN(CCNC(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828555	0	48	0.0	-82.12	384.82	-1.68	-83.80
CN(CCNC(=O)C12CCC[N@@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828605	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	REAL300024828605	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	REAL300024828616	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	REAL300024828616	1	50	0.0	-74.79	394.82	2.75	-72.04
CC(OCC[NH+](C)C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828627	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	REAL300024828639	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	REAL300024828641	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	REAL300024828641	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	REAL300024828641	1	48	0.0	-72.67	399.15	-0.29	-72.96
CC(CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024828648	0	50	0.0	-73.20	406.10	1.60	-71.60
CC[N@H+](CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024828681	0	48	0.0	-70.69	389.94	1.76	-68.93
CC1C[N@@H+]2CCN1C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024828698	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	REAL300024828698	1	51	0.0	-82.02	401.80	-1.07	-83.09
CN(CCNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828729	0	46	0.0	-76.26	380.86	1.07	-75.19
CC1=NC(N)=CC=C1C=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828739	0	48	0.0	-73.44	413.53	0.52	-72.92
CC1=[NH+]C(N)=CC=C1C=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828739	1	48	0.0	-73.44	413.53	0.52	-72.92
CN(CCNC(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828747	0	49	0.0	-68.95	392.71	1.76	-67.19
CN(CCNC(=O)C[N@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828747	1	49	0.0	-68.95	392.71	1.76	-67.19
CC(C)[NH+]1CCC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024828761	0	57	0.0	-70.42	442.68	3.19	-67.23
CC(C[NH+](C)C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828775	0	47	0.0	-68.95	387.01	1.24	-67.71
CCN1CCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828831	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	REAL300024828831	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	REAL300024828831	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	REAL300024828845	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	REAL300024828845	1	54	0.0	-64.53	421.45	2.87	-61.66
CCC(C)(C)[NH2+]C(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828864	0	53	0.0	-71.29	414.25	0.51	-70.78
C#CCN1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828916	0	50	0.0	-67.64	416.09	2.67	-64.97
C#CC[N@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828916	1	50	0.0	-68.59	406.68	2.52	-66.07
C#CC[N@@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828916	1	50	0.0	-68.59	406.68	2.52	-66.07
CCCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024828931	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	REAL300024828939	0	47	0.0	-76.56	376.28	1.03	-75.53
CC(CC[NH+](C)C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828963	0	50	0.0	-75.02	408.86	1.76	-73.26
CN(CCNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829017	0	55	0.0	-66.92	423.22	3.34	-63.58
CN(CCNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829017	1	55	0.0	-66.92	423.22	3.34	-63.58
CN(CCNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829051	0	50	0.0	-73.47	405.81	3.37	-70.10
CN(CCNC(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829100	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	REAL300024829100	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	REAL300024829105	0	53	0.0	-75.96	435.68	2.80	-73.16
CN(CCNC(=O)CC[NH+]1CCC(O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829110	0	52	0.0	-77.67	423.18	-1.09	-78.76
CCC[N@@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829116	0	54	0.0	-67.40	429.84	2.83	-64.57
CCC[N@H+]1CCCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829116	1	54	0.0	-67.40	429.84	2.83	-64.57
CC[NH+]1CCN(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829125	0	56	0.0	-75.03	447.42	0.53	-74.50
CCN1CC[NH+](CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829125	1	56	0.0	-75.03	447.42	0.53	-74.50
CN(CCNC(=O)CN1CCN(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829128	0	50	0.0	-73.17	407.95	-0.63	-73.80
CN(CCNC(=O)CN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829128	1	50	0.0	-73.17	407.95	-0.63	-73.80
CN(CCNC(=O)CC[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830175	0	54	0.0	-75.47	422.84	2.50	-72.97
CN(CCNC(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830179	0	48	0.0	-71.79	390.65	1.74	-70.05
CN(CCNC(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830181	0	48	0.0	-73.45	393.11	1.47	-71.98
CN(CCNC(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830181	1	48	0.0	-73.33	393.41	1.50	-71.83
CN(CCNC(=O)C[NH+]1CCC(CO)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830182	0	52	0.0	-73.82	422.34	-0.96	-74.78
CN(CCNC(=O)C[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830188	0	51	0.0	-71.63	399.89	1.93	-69.70
CN(CCNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830195	0	43	0.0	-70.86	379.78	3.37	-67.49
CN(CCNC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830212	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	REAL300024830212	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	REAL300024830217	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	REAL300024830224	0	50	0.0	-80.06	422.50	1.49	-78.57
CN(CCNC(=O)C[NH+]1CCC(O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830241	1	49	0.0	-76.84	401.36	-1.62	-78.46
CN(CCNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830247	0	45	0.0	-69.63	377.95	1.26	-68.37
CN(CCNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830247	1	45	0.0	-69.90	377.95	1.26	-68.64
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024830249	1	53	0.0	-73.50	422.08	-0.29	-73.79
CN(CCNC(=O)CC[N@@H+]1CCC(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830253	0	48	0.0	-78.59	402.86	1.63	-76.96
CN(CCNC(=O)CC[N@H+]1CCC(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830253	1	48	0.0	-76.77	403.42	1.69	-75.08
COC1C[N@H+](C)C(C)(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024830268	0	52	0.0	-74.73	417.20	0.41	-74.32
COC1C[N@@H+](C)C(C)(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024830268	1	52	0.0	-72.95	419.22	0.33	-72.62
CCOCC(N=[N+]=[N-])C(=O)NCCN(C)C(=O)CSC1=NC(=O)NN1	REAL300024830282	0	45	0.0	-24.24	402.00	-3.84	-28.08
CC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024830290	0	50	0.0	-79.35	405.96	1.85	-77.50
CN(CCNC(=O)C1CC[N@@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830312	0	50	0.0	-69.09	403.92	0.19	-68.90
CN(CCNC(=O)C1CC[N@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830312	1	50	0.0	-71.04	403.77	0.18	-70.86
CC1=[NH+]C=C2C=CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300024830318	0	46	0.0	-70.87	400.13	3.13	-67.74
CN(CCNC(=O)CC1COCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830338	1	49	0.0	-66.80	391.95	-0.45	-67.25
CN(CCNC(=O)CC1COCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830338	1	49	0.0	-66.88	391.68	-0.47	-67.35
CC[NH+]1CCN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024830349	0	53	0.0	-71.97	425.30	0.04	-71.93
CN(CCNC(=O)C[N@@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830472	0	49	0.0	-72.07	405.03	-1.72	-73.79
CN(CCNC(=O)C[N@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830472	1	49	0.0	-73.00	404.95	-1.74	-74.74
CN(CCNC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830480	0	51	0.0	-69.04	428.31	1.32	-67.72
CN(CCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830513	0	45	0.0	-73.36	380.26	0.70	-72.66
CN(CCNC(=O)C1CC[N@@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830519	0	52	0.0	-72.81	421.25	2.84	-69.97
CN(CCNC(=O)C1CC[N@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830519	1	52	0.0	-70.88	414.87	2.32	-68.56
CN(CCNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830527	0	41	0.0	-72.57	348.82	-0.13	-72.70
CN(CCNC(=O)CC[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830564	0	48	0.0	-74.71	398.99	-2.15	-76.86
CN(CCNC(=O)CC[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830564	1	48	0.0	-73.60	399.25	-2.15	-75.75
C[C@@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024830565	0	44	0.0	-69.91	366.65	0.25	-69.66
CN(CCNC(=O)CC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830589	0	51	0.0	-76.09	408.07	2.06	-74.03
CN(CCNC(=O)CC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830589	1	51	0.0	-75.33	408.05	2.07	-73.26
CC1=C2C=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024830617	1	46	0.0	-77.53	400.90	3.94	-73.59
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024830618	0	48	0.0	-71.72	398.89	1.52	-70.20
CC1CC[N@@H+]1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830623	1	45	0.0	-70.24	374.33	0.67	-69.57
CC1CC[N@H+]1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830623	1	45	0.0	-71.43	380.15	0.95	-70.48
CN(CCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830640	0	45	0.0	-77.33	386.04	1.13	-76.20
CN(CCNC(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830654	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	REAL300024830668	0	57	0.0	-75.38	455.09	3.85	-71.53
CC1=C(C)[NH+]=C(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024830681	1	49	0.0	-68.67	419.05	1.16	-67.51
CN(CCNC(=O)C1(C2CC[NH+](C)CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830690	0	55	0.0	-66.95	436.83	3.54	-63.41
CC1=C2C=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024830698	1	46	0.0	-77.53	400.90	3.94	-73.59
CN(CCNC(=O)CSCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830709	0	48	0.0	-79.68	415.71	1.81	-77.87
CN(CCNC(=O)C[N@@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830737	0	49	0.0	-71.50	401.82	-1.57	-73.07
CN(CCNC(=O)C[N@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830737	1	49	0.0	-71.28	403.39	-1.60	-72.88
CC[NH+](CC)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830741	0	47	0.0	-70.28	380.40	0.95	-69.33
CN(CCNC(=O)C[N@H+](C)C1CCSC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830752	0	49	0.0	-77.50	408.15	2.10	-75.40
CN(CCNC(=O)C[N@@H+](C)C1CCSC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830752	1	49	0.0	-77.91	409.27	2.09	-75.82
CN(CCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830754	1	42	0.0	-72.66	358.92	0.30	-72.36
CC[NH+](CC)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830811	0	50	0.0	-74.01	402.42	1.52	-72.49
CN(CCNC(=O)C[NH+]1CCC(C(N)=O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830834	0	52	0.0	-82.79	426.20	-1.60	-84.39
CN(CCNC(=O)C1=CC(C[NH+](C)C)=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830886	0	49	0.0	-79.34	415.19	1.15	-78.19
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300024830907	0	52	0.0	-74.62	419.44	-1.25	-75.87
CN(CCNC(=O)C1CC2COCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830914	0	50	0.0	-71.24	406.97	0.24	-71.00
CN(CCNC(=O)C1CC2COCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830914	1	50	0.0	-74.70	407.28	0.18	-74.52
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024830932	1	45	0.0	-71.55	378.82	0.81	-70.74
CCC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024830942	0	53	0.0	-68.97	424.05	2.49	-66.48
CN(CCNC(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830951	0	50	0.0	-70.44	396.35	1.57	-68.87
CN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831022	0	48	0.0	-67.55	390.75	1.46	-66.09
CN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831022	1	48	0.0	-70.83	381.19	1.28	-69.55
CC1CN2CC[N@@H+]1CC2C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831039	0	51	0.0	-79.78	401.63	-1.13	-80.91
CC1CN2CC[N@H+]1CC2C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831039	1	51	0.0	-73.99	401.62	-1.16	-75.15
CN(CCNC(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831066	0	48	0.0	-78.89	401.52	-1.12	-80.01
CN(CCNC(=O)C1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831069	0	52	0.0	-70.52	391.76	2.42	-68.10
C=CCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024831110	0	48	0.0	-67.47	392.49	1.35	-66.12
CN(CCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831122	0	52	0.0	-73.99	415.96	2.54	-71.45
CN(CCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831122	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	REAL300024831136	0	51	0.0	-74.28	406.07	1.95	-72.33
CN(CCNC(=O)CC1(O)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831140	0	52	0.0	-76.55	419.09	0.18	-76.37
CN(CCNC(=O)CC1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831163	0	55	0.0	-76.58	414.50	2.33	-74.25
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300024831177	0	39	0.0	-74.67	357.34	-3.25	-77.92
CC[N@@H+]1CCOCC1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024831221	0	52	0.0	-76.56	416.69	0.33	-76.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CC[NH+](C)C)CCCC1	REAL300024831239	0	57	0.0	-81.42	441.17	2.88	-78.54
CC1CCCC(C)[NH+]1CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024831241	0	57	0.0	-71.01	439.13	2.93	-68.08
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC([NH+](C)C)CC1	REAL300024831244	0	54	0.0	-78.67	422.72	2.36	-76.31
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CC[NH+](C)C)CC1	REAL300024831245	0	51	0.0	-79.01	418.48	2.09	-76.92
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024831247	0	54	0.0	-65.10	415.92	2.21	-62.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@@H+]1C	REAL300024831248	0	49	0.0	-64.21	394.99	1.84	-62.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@H+]1C	REAL300024831248	1	49	0.0	-64.21	394.99	1.84	-62.37
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024831273	0	51	0.0	-72.65	421.61	1.41	-71.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300024831305	0	52	0.0	-72.95	385.70	1.84	-71.11
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300024831441	1	49	0.0	-73.21	400.02	1.51	-71.70
CCC1C[NH+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024831443	0	48	0.0	-72.53	401.48	1.65	-70.88
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300024831445	0	53	0.0	-78.66	430.53	0.69	-77.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300024831447	0	52	0.0	-70.44	404.65	2.08	-68.36
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024831456	0	45	0.0	-69.06	367.62	0.33	-68.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024831456	1	45	0.0	-68.50	373.45	0.64	-67.86
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+]1CCC(F)C1	REAL300024831465	1	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	REAL300024831473	1	52	0.0	-76.15	406.70	-0.28	-76.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCCC1	REAL300024831486	0	54	0.0	-75.13	422.57	2.46	-72.67
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300024831488	0	48	0.0	-71.27	390.65	1.68	-69.59
CC1C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024831498	0	48	0.0	-73.94	391.03	1.05	-72.89
CC1C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024831498	1	48	0.0	-72.93	385.48	1.08	-71.85
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@@H+]1C	REAL300024831500	0	54	0.0	-75.41	422.77	2.59	-72.82
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@H+]1C	REAL300024831500	1	54	0.0	-71.89	429.89	2.76	-69.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300024831533	0	50	0.0	-76.02	404.21	-0.04	-76.06
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]2CCOCC12	REAL300024831533	1	50	0.0	-70.35	398.80	-0.02	-70.37
CC1=[NH+]C=C2C=CC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300024831538	0	46	0.0	-70.22	397.04	2.71	-67.51
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCCN1C	REAL300024831557	0	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	REAL300024831557	1	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	REAL300024831557	1	49	0.0	-66.56	391.95	-0.49	-67.05
CC1=C(C)[NH+]=C(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024831566	1	49	0.0	-68.09	418.78	1.11	-66.98
CCOCC(N=[N+]=[N-])C(=O)N(C)CCNC(=O)CSC1=NC(=O)NN1	REAL300024831572	0	45	0.0	-25.65	398.71	-4.03	-29.68
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024831580	0	57	0.0	-66.80	438.88	3.42	-63.38
CC(C)C[N@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024831580	1	57	0.0	-65.53	439.88	3.50	-62.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300024831621	0	51	0.0	-68.25	422.96	0.96	-67.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300024831664	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=[NH+]1	REAL300024831672	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	REAL300024831682	0	48	0.0	-78.90	415.71	1.79	-77.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300024831692	0	50	0.0	-74.43	404.37	-0.02	-74.45
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2COCC[N@H+]2C1	REAL300024831692	1	50	0.0	-74.56	403.45	-0.04	-74.60
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300024831796	0	55	0.0	-68.18	427.36	3.15	-65.03
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300024831796	1	55	0.0	-72.21	417.81	2.60	-69.61
CCC(C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024831896	0	57	0.0	-70.80	429.27	3.10	-67.70
CCC[N@H+](C)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024831901	0	57	0.0	-71.24	443.83	3.72	-67.52
CCC[N@@H+](C)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024831901	1	57	0.0	-74.20	438.70	3.45	-70.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	REAL300024831909	0	55	0.0	-70.81	420.92	2.82	-67.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	REAL300024831909	1	55	0.0	-68.22	423.13	2.85	-65.37
CC[NH+](CC)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024831914	0	57	0.0	-69.05	440.62	3.67	-65.38
CC[N@H+](C)CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024831970	0	57	0.0	-75.75	439.62	3.29	-72.46
CC[N@@H+](C)CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024831970	1	57	0.0	-73.00	444.69	3.58	-69.42
CC[C@@H](C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024831973	0	57	0.0	-69.05	434.28	3.29	-65.76
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)CC1	REAL300024831991	0	51	0.0	-71.68	404.64	2.32	-69.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)[NH+]2CCC2)CC1	REAL300024831995	0	55	0.0	-71.69	427.19	2.94	-68.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CC2)CC1	REAL300024832001	1	55	0.0	-68.38	433.88	3.71	-64.67
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2C[NH+](C)C2)CC1	REAL300024832007	0	55	0.0	-73.26	435.94	3.19	-70.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300024832014	0	54	0.0	-69.83	421.36	2.72	-67.11
CC(NC(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])CC1	REAL300024832017	0	45	0.0	-25.48	381.62	-2.09	-27.57
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300024832035	0	54	0.0	-69.83	421.36	2.72	-67.11
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024832053	1	52	0.0	-71.49	414.70	2.72	-68.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1	REAL300024832064	0	54	0.0	-72.17	415.46	2.37	-69.80
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)C2)CC1	REAL300024832070	1	55	0.0	-71.30	435.94	3.40	-67.90
CC[N@@H+](C)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832087	1	54	0.0	-73.76	417.18	2.71	-71.05
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+](C)C)CC1	REAL300024832103	0	55	0.0	-75.69	440.81	3.57	-72.12
CC[N@H+]1CCC1C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832109	1	55	0.0	-71.25	422.58	2.68	-68.57
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)[NH+](C)C)CC1	REAL300024832122	0	57	0.0	-74.08	425.60	3.02	-71.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CC2)CC1	REAL300024832144	0	55	0.0	-75.05	426.87	3.08	-71.97
CC(C[NH+](C)C)C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832166	0	57	0.0	-77.28	441.07	3.38	-73.90
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC2C)CC1	REAL300024832175	0	55	0.0	-70.26	435.96	3.40	-66.86
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC2C)CC1	REAL300024832175	1	55	0.0	-72.86	430.78	3.13	-69.73
CC(NC(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832284	0	55	0.0	-70.37	425.76	3.21	-67.16
CC(NC(=O)C1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832284	1	55	0.0	-70.06	425.67	3.07	-66.99
CCC(C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024832355	0	57	0.0	-70.29	430.14	3.14	-67.15
CCC[N@H+](C)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832359	0	57	0.0	-73.62	439.22	3.53	-70.09
CCC[N@@H+](C)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832359	1	57	0.0	-73.57	443.87	3.82	-69.75
CC[N@H+](C)CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832376	0	57	0.0	-75.61	444.73	3.63	-71.98
CC[N@@H+](C)CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832376	1	57	0.0	-75.15	440.11	3.32	-71.83
CC[C@@H](C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024832416	0	57	0.0	-71.04	430.70	3.12	-67.92
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832462	0	55	0.0	-70.34	424.56	3.21	-67.13
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832462	1	55	0.0	-71.94	419.93	2.66	-69.28
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832516	0	54	0.0	-72.49	418.15	2.53	-69.96
CC(NC(=O)C[NH+]1CC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832540	1	55	0.0	-73.67	435.93	3.51	-70.16
CC[N@H+](C)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832558	0	54	0.0	-73.25	422.37	3.09	-70.16
CC[N@@H+](C)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832558	1	54	0.0	-73.23	422.37	3.09	-70.14
CC(C[NH+](C)C)C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832588	0	57	0.0	-74.44	437.88	3.41	-71.03
CC(NC(=O)C1([NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832591	0	55	0.0	-77.61	423.17	3.16	-74.45
CC(NC(=O)[C@@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832595	0	54	0.0	-71.59	422.80	2.84	-68.75
CC[N@@H+]1CCC1C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832598	1	55	0.0	-71.12	424.84	2.84	-68.28
CC[N@H+]1CCC1C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832598	1	55	0.0	-70.78	424.02	2.80	-67.98
CC(NC(=O)C(C)(C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832606	0	57	0.0	-77.42	426.94	3.28	-74.14
CC(NC(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024832652	0	45	0.0	-24.21	376.45	-2.25	-26.46
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832665	0	55	0.0	-71.74	419.49	2.71	-69.03
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832665	1	55	0.0	-70.76	430.56	3.43	-67.33
CC(NC(=O)C[N@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832702	0	55	0.0	-71.16	434.05	3.84	-67.32
CC(NC(=O)C[N@@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832702	1	55	0.0	-71.16	428.86	3.56	-67.60
CC(NC(=O)CC1C[NH+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832730	0	55	0.0	-73.98	430.92	2.95	-71.03
CC(NC(=O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832733	0	51	0.0	-73.97	399.48	2.13	-71.84
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832736	0	54	0.0	-72.49	418.15	2.53	-69.96
CC(NC(=O)C[N@@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832743	1	55	0.0	-71.93	430.79	3.24	-68.69
CC(NC(=O)C[N@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832743	1	55	0.0	-72.29	430.76	3.24	-69.05
CC(NC(=O)C=CC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832744	0	55	0.0	-77.39	436.70	3.39	-74.00
CC[NH+](CC)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832750	0	57	0.0	-71.90	431.07	3.22	-68.68
CC(NC(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832751	1	52	0.0	-73.65	414.76	2.83	-70.82
CC(NC(=O)C(C)[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832773	1	55	0.0	-72.03	429.45	3.09	-68.94
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300024832841	0	55	0.0	-72.71	417.91	2.57	-70.14
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300024832841	1	55	0.0	-71.08	422.76	2.86	-68.22
CC(C)N(CCCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833017	0	54	0.0	-66.26	425.04	2.69	-63.57
CC(C)N(CCCNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833017	1	54	0.0	-67.46	423.22	2.48	-64.98
CC1=[NH+]C=CN1CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024833168	1	52	0.0	-65.41	434.65	3.76	-61.65
CC(C)N(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833186	0	57	0.0	-73.81	441.21	3.10	-70.71
CC(C)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833186	1	57	0.0	-71.25	446.96	3.52	-67.73
CC(C)N(CCCNC(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833203	0	57	0.0	-71.79	434.06	3.47	-68.32
CC(C)N(CCCNC(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833213	0	57	0.0	-68.05	449.34	3.90	-64.15
CC(C)N(CCCNC(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833213	1	57	0.0	-66.44	451.43	4.13	-62.31
CC(C)N(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833234	0	57	0.0	-73.54	447.81	3.59	-69.95
CC(C)N(CCCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833240	0	57	0.0	-67.09	435.76	3.35	-63.74
CC(C)N(CCCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833240	1	57	0.0	-67.16	435.85	3.35	-63.81
CC1=C[NH+]=CN1CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024833257	1	52	0.0	-70.34	431.93	4.24	-66.10
CC(C)N(CCCNC(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833266	0	57	0.0	-71.54	451.54	3.75	-67.79
CC(C)N(CCCNC(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833266	1	57	0.0	-71.80	451.57	3.74	-68.06
CCC(C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024833269	0	56	0.0	-66.74	435.64	3.17	-63.57
CCC[N@H+](C)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024833285	0	56	0.0	-69.65	442.80	3.32	-66.33
CCC[N@@H+](C)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024833285	1	56	0.0	-69.82	442.44	3.33	-66.49
CC(C)N(CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833299	0	54	0.0	-66.89	429.17	2.97	-63.92
CC(C)N(CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833299	1	54	0.0	-67.51	423.25	2.49	-65.02
CC[NH+](CC)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024833311	0	56	0.0	-66.83	440.82	3.49	-63.34
CC(C)N(CCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833363	0	57	0.0	-67.84	453.87	3.64	-64.20
CC(C)N(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833384	0	57	0.0	-73.54	447.81	3.59	-69.95
CC[N@H+](C)CCC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024833421	0	56	0.0	-71.70	443.31	3.15	-68.55
CC[N@@H+](C)CCC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024833421	1	56	0.0	-70.71	445.31	3.36	-67.35
CC(C)N(CCCNC(=O)C[N@@H+]1CCCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833429	0	57	0.0	-66.11	447.89	3.68	-62.43
CC(C)N(CCCNC(=O)C[N@H+]1CCCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833429	1	57	0.0	-66.54	449.61	3.57	-62.97
CC(C)N(CCCNC(=O)C[N@@H+]1CCC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833430	0	57	0.0	-68.67	448.60	3.61	-65.06
CC(C)N(CCCNC(=O)C[N@H+]1CCC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833430	1	57	0.0	-68.92	449.28	3.67	-65.25
CC[C@@H](C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024833432	0	56	0.0	-67.53	433.45	2.95	-64.58
CC(C)N(CCCNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833463	0	50	0.0	-69.17	405.21	2.14	-67.03
CC(C)N(CCCNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833464	0	52	0.0	-67.62	434.45	5.44	-62.18
CC(C)N(CCCNC(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833467	0	57	0.0	-64.07	442.02	3.75	-60.32
CC(C)N(CCCNC(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833467	1	57	0.0	-70.92	447.80	3.55	-67.37
CC(C)N(CCCNC(=O)C(C)[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833474	1	54	0.0	-66.04	435.41	3.12	-62.92
CC(C)N(CCCNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833482	0	54	0.0	-67.58	432.62	3.33	-64.25
CC(C)N(CCCNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833482	1	54	0.0	-67.34	432.62	3.33	-64.01
CC(C)N(CCCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833492	0	54	0.0	-71.61	436.66	2.97	-68.64
CC(C)N(CCCNC(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833503	0	53	0.0	-69.10	421.32	2.32	-66.78
CC(C)N(CCCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024833510	0	44	0.0	-23.46	380.55	-2.49	-25.95
CC(C)N(CCCNC(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833541	0	53	0.0	-69.10	421.32	2.32	-66.78
CC(C)N(CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833544	0	57	0.0	-64.25	446.94	3.72	-60.53
CC(C)N(CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833544	1	57	0.0	-68.22	435.86	3.35	-64.87
CC(C)N(CCCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833569	1	51	0.0	-68.83	415.31	2.57	-66.26
CC(C)N(CCCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833576	0	55	0.0	-74.33	442.06	3.47	-70.86
CC(C)N(CCCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833576	1	55	0.0	-74.70	441.11	3.49	-71.21
CC(C)N(CCCNC(=O)[C@@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833593	0	53	0.0	-67.61	421.38	2.33	-65.28
CC(C)N(CCCNC(=O)C[NH+]1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833607	1	54	0.0	-69.95	434.48	3.02	-66.93
CC(C)N(CCCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833620	1	54	0.0	-70.04	433.30	-0.42	-70.46
CC(C)N(CCCNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833620	1	54	0.0	-69.54	431.12	-0.63	-70.17
CC[N@H+](C)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024833632	0	53	0.0	-69.48	420.95	2.59	-66.89
CC[N@@H+](C)CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024833632	1	53	0.0	-69.48	420.94	2.60	-66.88
CC[N@H+](CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C)C1CC1	REAL300024833642	0	57	0.0	-66.02	448.46	3.73	-62.29
CC[N@@H+](CC(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C)C1CC1	REAL300024833642	1	57	0.0	-68.12	444.61	3.83	-64.29
CC(C)N(CCCNC(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833654	1	57	0.0	-70.05	453.82	3.55	-66.50
CC(C)N(CCCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833661	0	54	0.0	-74.94	442.44	3.40	-71.54
CC[N@@H+]1CCC1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024833678	1	54	0.0	-65.67	428.23	2.80	-62.87
CC[N@H+]1CCC1C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024833678	1	54	0.0	-68.84	434.85	2.95	-65.89
C=CCC(C(=O)NCCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024833697	0	57	0.0	-66.62	448.58	3.62	-63.00
CC(C)N(CCCNC(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833704	0	55	0.0	-69.60	438.56	3.81	-65.79
CC(C)N(CCCNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833709	0	56	0.0	-72.04	432.74	3.16	-68.88
CC(C)N(CCCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833719	0	57	0.0	-67.09	435.76	3.35	-63.74
CC(C)N(CCCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833719	1	57	0.0	-67.16	435.85	3.35	-63.81
CC(C)N(CCCNC(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833751	0	54	0.0	-70.62	425.64	3.63	-66.99
CC(C)N(CCCNC(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833752	0	57	0.0	-71.20	451.54	3.66	-67.54
CC(C)N(CCCNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833762	0	55	0.0	-72.88	435.15	3.45	-69.43
CC(C)N(CCCNC(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833762	1	55	0.0	-69.93	435.62	3.11	-66.82
CC(C)N(CCCNC(=O)C(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833796	0	56	0.0	-63.08	443.05	3.50	-59.58
CC(C)N(CCCNC(=O)C(C)[NH+]1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833815	0	57	0.0	-67.29	453.56	3.59	-63.70
CC(C)N(CCCNC(=O)C[N@@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833816	1	54	0.0	-68.32	434.55	3.01	-65.31
CC(C)N(CCCNC(=O)C[N@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833816	1	54	0.0	-67.66	429.00	2.74	-64.92
CC(C)N(CCCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833844	0	57	0.0	-72.68	453.31	3.67	-69.01
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024834004	0	54	0.0	-71.38	421.94	2.35	-69.03
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024834004	1	54	0.0	-68.32	423.79	2.58	-65.74
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300024834169	0	57	0.0	-75.71	449.54	3.49	-72.22
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300024834169	1	57	0.0	-75.87	449.75	3.49	-72.38
CCC(C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024834172	0	56	0.0	-68.20	434.14	3.03	-65.17
CCC[N@H+](C)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024834183	0	56	0.0	-70.26	442.67	3.40	-66.86
CCC[N@@H+](C)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024834183	1	56	0.0	-72.59	442.44	3.25	-69.34
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300024834211	0	57	0.0	-66.12	434.14	3.25	-62.87
CC[N@H+](C)CCC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024834215	0	56	0.0	-71.36	445.31	3.32	-68.04
CC[N@@H+](C)CCC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024834215	1	56	0.0	-74.66	443.32	3.11	-71.55
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024834230	0	57	0.0	-72.67	444.59	3.50	-69.17
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCCC1C	REAL300024834262	0	57	0.0	-67.17	447.99	3.67	-63.50
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCCC1C	REAL300024834262	1	57	0.0	-69.72	448.47	3.63	-66.09
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)C1	REAL300024834277	0	57	0.0	-69.03	448.38	3.69	-65.34
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)C1	REAL300024834277	1	57	0.0	-71.73	449.34	3.57	-68.16
CC[C@@H](C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024834279	0	56	0.0	-66.80	430.15	2.93	-63.87
CC1=[NH+]C=CN1CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024834311	1	52	0.0	-67.11	432.66	3.61	-63.50
CC1=C[NH+]=CN1CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024834326	1	52	0.0	-71.37	431.92	4.14	-67.23
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024834327	0	57	0.0	-77.25	438.02	2.85	-74.40
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024834327	1	57	0.0	-75.69	445.17	3.14	-72.55
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300024834347	0	57	0.0	-70.57	450.24	3.85	-66.72
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300024834347	1	57	0.0	-68.09	449.66	3.98	-64.11
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024834352	0	57	0.0	-72.67	444.59	3.50	-69.17
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024834361	0	54	0.0	-66.94	428.44	2.94	-64.00
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024834361	1	54	0.0	-70.60	421.36	2.41	-68.19
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+](C)C1C	REAL300024834417	0	57	0.0	-72.27	440.68	2.90	-69.37
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+](C)C1C	REAL300024834417	1	57	0.0	-68.71	442.68	3.13	-65.58
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL300024834448	0	53	0.0	-70.90	418.61	2.16	-68.74
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024834465	0	57	0.0	-74.16	451.54	3.62	-70.54
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024834470	1	54	0.0	-70.89	431.87	-0.56	-71.45
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024834470	1	54	0.0	-70.28	431.67	-0.57	-70.85
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)C1	REAL300024834505	1	54	0.0	-70.04	436.45	3.16	-66.88
CC[N@H+](C)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024834528	0	53	0.0	-72.24	420.94	2.52	-69.72
CC[N@@H+](C)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024834528	1	53	0.0	-72.24	420.95	2.51	-69.73
CC[N@H+](CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C)C1CC1	REAL300024834572	0	57	0.0	-67.16	451.36	4.09	-63.07
CC[N@@H+](CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C)C1CC1	REAL300024834572	1	57	0.0	-70.92	445.15	3.77	-67.15
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)C[NH+](C)C	REAL300024834590	0	56	0.0	-66.39	440.47	3.25	-63.14
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H](C)[NH+](C)C	REAL300024834601	0	53	0.0	-70.67	417.21	2.15	-68.52
CC[N@@H+]1CCC1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024834604	0	54	0.0	-70.71	423.25	2.36	-68.35
CC[N@H+]1CCC1C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024834604	1	54	0.0	-67.31	428.47	2.67	-64.64
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[NH+]=CC=C1N	REAL300024834613	0	50	0.0	-73.67	411.40	-0.29	-73.96
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024834676	0	55	0.0	-70.02	440.50	3.93	-66.09
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024834681	0	57	0.0	-69.87	430.57	2.82	-67.05
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024834681	1	57	0.0	-69.83	430.34	2.82	-67.01
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024834697	0	55	0.0	-73.23	440.42	3.39	-69.84
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024834697	1	55	0.0	-73.36	439.56	3.42	-69.94
CC(C)N(CCCNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024834702	0	44	0.0	-23.38	380.72	-2.53	-25.91
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024834715	0	54	0.0	-71.86	421.89	2.38	-69.48
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024834715	1	54	0.0	-69.24	421.96	2.53	-66.71
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024834745	0	57	0.0	-74.06	452.20	3.58	-70.48
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300024834776	0	57	0.0	-69.48	446.20	3.90	-65.58
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300024834777	0	57	0.0	-74.26	447.09	3.38	-70.88
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300024834777	1	57	0.0	-69.97	443.95	3.41	-66.56
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024834778	0	52	0.0	-69.82	434.45	5.36	-64.46
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024834787	0	54	0.0	-70.26	433.20	3.24	-67.02
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024834787	1	54	0.0	-67.80	434.57	3.45	-64.35
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024834828	0	54	0.0	-73.80	434.66	2.70	-71.10
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024834834	0	50	0.0	-72.98	403.88	1.86	-71.12
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL300024834842	0	53	0.0	-70.90	418.61	2.16	-68.74
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1CC(C)C1	REAL300024834852	0	57	0.0	-67.53	451.62	3.55	-63.98
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC1C	REAL300024834853	0	54	0.0	-68.80	436.51	3.20	-65.60
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC1C	REAL300024834853	1	54	0.0	-70.28	429.58	2.69	-67.59
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024834854	0	54	0.0	-73.03	440.74	3.33	-69.70
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024834857	1	57	0.0	-72.81	454.05	3.52	-69.29
CC[NH+](CC)CC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024834869	0	56	0.0	-70.70	435.48	2.93	-67.77
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024834874	1	51	0.0	-72.84	413.31	2.26	-70.58
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1CCC1	REAL300024834904	0	54	0.0	-68.32	424.37	2.52	-65.80
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024834920	0	57	0.0	-68.52	441.44	3.32	-65.20
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300024834920	1	57	0.0	-68.03	433.06	3.08	-64.95
C=CCC(C(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024834936	0	57	0.0	-69.45	449.04	3.60	-65.85
CC(C)N(CCCNC(=O)CSC(N)=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024834954	0	48	0.0	-71.06	413.74	-0.98	-72.04
CCC1C[NH+](CC(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C)C1	REAL300024835003	1	57	0.0	-70.71	455.88	3.78	-66.93
CC(C)N(CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024835007	0	54	0.0	-70.05	423.26	2.48	-67.57
CC(C)N(CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024835007	1	54	0.0	-66.56	429.28	2.96	-63.60
CC(C)N(CCCNC(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024835013	0	57	0.0	-69.30	445.32	3.82	-65.48
CC(C)N(CCCNC(=O)C1CC[N@H+](C)C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024835017	0	57	0.0	-68.46	444.38	3.16	-65.30
CC(C)N(CCCNC(=O)C1CC[N@@H+](C)C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024835017	1	57	0.0	-70.14	449.69	3.33	-66.81
CCCN(C(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835163	0	55	0.0	-70.17	427.27	4.19	-65.98
CCCN(C(=O)C1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835163	1	55	0.0	-69.41	425.76	4.10	-65.31
CCCN(C(=O)C(CC)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835254	0	57	0.0	-68.43	429.42	4.35	-64.08
CCCN(C(=O)C[N@H+](C)CCC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835258	0	57	0.0	-73.16	445.39	4.99	-68.17
CCCN(C(=O)C[N@@H+](C)CCC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835258	1	57	0.0	-73.07	445.40	5.00	-68.07
CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835264	0	55	0.0	-69.92	426.73	4.09	-65.83
CCCN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835264	1	55	0.0	-69.75	421.09	3.73	-66.02
CCCN(C(=O)C[NH+](CC)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835267	0	57	0.0	-71.69	442.42	4.94	-66.75
CCCN(C(=O)CC[N@H+](C)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835307	0	57	0.0	-73.95	446.32	4.85	-69.10
CCCN(C(=O)CC[N@@H+](C)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835307	1	57	0.0	-73.99	446.31	4.85	-69.14
CCCN(C(=O)[C@H](CC)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835310	0	57	0.0	-73.36	433.59	4.51	-68.85
CCCN(C(=O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835325	0	51	0.0	-73.41	406.16	3.58	-69.83
CCCN(C(=O)C(C)[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835329	1	55	0.0	-70.33	431.52	4.41	-65.92
CCCN(C(=O)C[N@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835335	0	55	0.0	-69.99	435.65	4.99	-65.00
CCCN(C(=O)C[N@@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835335	1	55	0.0	-69.08	435.48	5.00	-64.08
CCCN(C(=O)CC1C[NH+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835340	0	55	0.0	-73.11	437.13	4.39	-68.72
CCCN(C(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835347	0	54	0.0	-70.60	419.62	3.82	-66.78
CCCN(C(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024835350	0	45	0.0	-22.76	383.13	-0.82	-23.58
CCCN(C(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835365	0	54	0.0	-70.60	419.62	3.82	-66.78
CCCN(C(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835381	1	52	0.0	-73.06	416.51	4.05	-69.01
CCCN(C(=O)[C@@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835389	0	54	0.0	-70.54	423.39	3.97	-66.57
CCCN(C(=O)C[NH+]1CC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835395	1	55	0.0	-73.10	436.34	4.73	-68.37
CCCN(C(=O)C[N@H+](C)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835409	0	54	0.0	-72.77	423.90	4.25	-68.52
CCCN(C(=O)C[N@@H+](C)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835409	1	54	0.0	-72.73	423.89	4.24	-68.49
CCCN(C(=O)C=CC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835423	0	55	0.0	-76.83	442.67	4.84	-71.99
CCCN(C(=O)C1CC[N@@H+]1CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835428	1	55	0.0	-72.01	432.77	4.21	-67.80
CCCN(C(=O)C1CC[N@H+]1CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835428	1	55	0.0	-73.26	433.12	4.13	-69.13
CCCN(C(=O)C(C)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835469	0	57	0.0	-74.64	442.11	4.63	-70.01
CCCN(C(=O)C[N@@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835477	1	55	0.0	-71.57	437.57	4.64	-66.93
CCCN(C(=O)C[N@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835477	1	55	0.0	-70.15	431.96	4.39	-65.76
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300024835584	0	55	0.0	-66.95	428.19	4.47	-62.48
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C)C1	REAL300024835584	1	55	0.0	-66.81	427.10	4.34	-62.47
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(CC)[NH+](C)C)C1	REAL300024835655	0	57	0.0	-70.77	435.31	4.59	-66.18
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CCC)C1	REAL300024835659	0	57	0.0	-69.82	445.41	5.01	-64.81
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CCC)C1	REAL300024835659	1	57	0.0	-69.63	445.47	5.03	-64.60
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[N@H+](C)CC)C1	REAL300024835676	0	57	0.0	-72.90	446.26	4.86	-68.04
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[N@@H+](C)CC)C1	REAL300024835676	1	57	0.0	-72.65	446.26	4.84	-67.81
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](CC)[NH+](C)C)C1	REAL300024835716	0	57	0.0	-67.58	435.85	4.60	-62.98
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300024835762	0	55	0.0	-67.11	428.23	4.47	-62.64
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300024835762	1	55	0.0	-66.61	424.83	4.07	-62.54
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300024835816	0	54	0.0	-68.09	422.93	3.93	-64.16
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)C2)C1	REAL300024835840	1	55	0.0	-70.26	437.52	4.70	-65.56
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CC)C1	REAL300024835858	0	54	0.0	-69.56	423.91	4.27	-65.29
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CC)C1	REAL300024835858	1	54	0.0	-69.39	423.97	4.28	-65.11
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)C[NH+](C)C)C1	REAL300024835888	0	57	0.0	-74.25	444.31	4.72	-69.53
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CC2)C1	REAL300024835891	0	55	0.0	-70.64	426.64	4.14	-66.50
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300024835895	0	54	0.0	-66.77	422.01	3.88	-62.89
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@@H+]2CC)C1	REAL300024835898	1	55	0.0	-69.85	437.86	4.59	-65.26
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@H+]2CC)C1	REAL300024835898	1	55	0.0	-70.07	437.75	4.54	-65.53
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300024835906	0	57	0.0	-72.90	423.53	4.40	-68.50
CCCN(C(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])C1	REAL300024835952	0	45	0.0	-23.35	383.17	-0.81	-24.16
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300024835965	0	55	0.0	-66.02	424.16	4.06	-61.96
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300024835965	1	55	0.0	-67.18	427.98	4.40	-62.78
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CC2)C1	REAL300024836002	0	55	0.0	-67.19	435.61	5.02	-62.17
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300024836002	1	55	0.0	-67.03	435.43	5.01	-62.02
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2C[NH+](C)C2)C1	REAL300024836030	0	55	0.0	-71.80	437.45	4.44	-67.36
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)C1	REAL300024836033	0	51	0.0	-70.46	406.24	3.61	-66.85
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300024836036	0	54	0.0	-68.09	422.93	3.93	-64.16
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300024836043	1	55	0.0	-68.58	437.51	4.66	-63.92
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC2C)C1	REAL300024836043	1	55	0.0	-69.31	437.05	4.63	-64.68
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+](C)C)C1	REAL300024836044	0	55	0.0	-77.46	442.70	4.83	-72.63
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](CC)CC)C1	REAL300024836050	0	57	0.0	-68.60	442.23	4.96	-63.64
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024836051	1	52	0.0	-70.49	416.52	4.08	-66.41
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300024836073	0	55	0.0	-64.56	427.76	4.18	-60.38
CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836137	0	55	0.0	-72.41	422.63	3.80	-68.61
CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836137	1	55	0.0	-69.88	424.53	4.05	-65.83
C[N@@H+]1CCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836315	0	52	0.0	-74.75	415.81	2.00	-72.75
C[N@H+]1CCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836315	1	52	0.0	-73.57	415.86	1.99	-71.58
C[N@@H+]1CCOC(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024836339	1	53	0.0	-77.61	425.97	1.72	-75.89
C[N@H+]1CCOC(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024836339	1	53	0.0	-80.49	425.94	1.73	-78.76
CC1=[NH+]C=CN1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836478	1	50	0.0	-71.84	425.30	3.06	-68.78
C[C@@H]1[C@H](C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024836496	0	55	0.0	-76.48	433.21	2.63	-73.85
C[C@@H]1[C@H](C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024836496	1	55	0.0	-75.53	438.06	2.88	-72.65
C[NH+](C)C1(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024836516	0	55	0.0	-80.34	430.96	2.95	-77.39
CC(C)[C@@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024836518	0	57	0.0	-72.25	442.12	3.95	-68.30
C[N@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024836527	0	55	0.0	-72.50	442.08	3.43	-69.07
C[N@@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024836527	1	55	0.0	-72.97	441.98	3.43	-69.54
C[NH+]1CCC(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024836551	0	55	0.0	-80.06	440.46	3.11	-76.95
C[N@@H+]1CCCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836557	0	55	0.0	-72.02	428.49	2.86	-69.16
C[N@H+]1CCCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836557	1	55	0.0	-72.05	428.35	2.87	-69.18
CC1=C[NH+]=CN1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836574	1	50	0.0	-74.76	424.58	3.74	-71.02
C[N@@H+]1CCC(CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024836584	0	55	0.0	-77.76	442.89	3.01	-74.75
C[N@H+]1CCC(CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024836584	1	55	0.0	-78.71	442.41	3.04	-75.67
CCC(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024836587	0	54	0.0	-71.19	426.52	2.44	-68.75
C[NH+](C)CCCCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836601	0	57	0.0	-78.51	461.24	3.59	-74.92
CC(C)C(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024836604	0	57	0.0	-73.49	444.93	3.71	-69.78
CCC[N@H+](C)CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836605	0	57	0.0	-77.64	457.46	3.40	-74.24
CCC[N@@H+](C)CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836605	1	57	0.0	-77.69	457.47	3.40	-74.29
CCC[N@H+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836606	0	54	0.0	-74.74	435.09	2.86	-71.88
CCC[N@@H+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836606	1	54	0.0	-74.75	435.10	2.86	-71.89
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836621	0	52	0.0	-73.57	416.09	2.01	-71.56
C[N@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836621	1	52	0.0	-71.90	422.00	2.50	-69.40
CC[NH+](CC)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836633	0	54	0.0	-73.18	431.97	2.81	-70.37
C[NH+](C)CC1(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024836687	0	55	0.0	-76.43	447.66	3.21	-73.22
C[NH+]1CCC(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024836709	0	55	0.0	-80.06	440.46	3.11	-76.95
CC(C)[C@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024836724	0	57	0.0	-72.45	445.49	3.51	-68.94
CC[N@H+](C)CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836751	0	54	0.0	-76.85	435.96	2.67	-74.18
CC[N@@H+](C)CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836751	1	54	0.0	-76.90	435.96	2.67	-74.23
CC1CCC[N@@H+]1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836761	0	55	0.0	-71.46	434.78	2.84	-68.62
CC1CCC[N@H+]1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836761	1	55	0.0	-72.28	441.02	3.22	-69.06
CC1CC[N@H+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024836762	0	55	0.0	-73.76	442.33	3.10	-70.66
CC1CC[N@@H+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024836762	1	55	0.0	-74.29	441.32	3.20	-71.09
CC[C@@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024836764	0	54	0.0	-73.20	430.11	3.04	-70.16
C[NH+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836800	0	48	0.0	-75.06	395.87	1.44	-73.62
CN1C=C[N+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024836801	0	50	0.0	-72.57	427.10	4.95	-67.62
C[N@@H+]1CCCC(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024836804	0	55	0.0	-76.15	440.26	3.05	-73.10
C[N@H+]1CCCC(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024836804	1	55	0.0	-75.86	440.23	3.04	-72.82
CC(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024836811	1	52	0.0	-73.02	426.18	2.40	-70.62
C[NH+](C)CC(C)(C)C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836814	0	57	0.0	-71.53	443.40	3.14	-68.39
C[N@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024836821	0	52	0.0	-71.74	425.14	2.85	-68.89
C[N@@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024836821	1	52	0.0	-71.82	425.12	2.85	-68.97
C[NH+]1CC(CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024836832	0	52	0.0	-75.86	427.32	2.27	-73.59
C[C@@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024836844	0	51	0.0	-73.67	413.76	1.85	-71.82
[N-]=[N+]=NCC(=O)NCCC1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024836851	0	42	0.0	-26.23	373.06	-2.95	-29.18
C[C@@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024836882	0	51	0.0	-73.67	413.76	1.85	-71.82
C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836885	0	55	0.0	-72.57	428.34	2.85	-69.72
C[N@H+]1CCCC[C@@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836885	1	55	0.0	-72.02	437.82	3.03	-68.99
O=C(C[NH+]1CCC1)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836912	1	49	0.0	-75.03	405.96	1.87	-73.16
C[N@@H+]1CCC(=CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024836921	0	53	0.0	-78.81	434.52	2.97	-75.84
C[N@H+]1CCC(=CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024836921	1	53	0.0	-78.99	434.55	2.98	-76.01
C[C@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024836939	0	51	0.0	-72.97	413.88	1.85	-71.12
CC1C[NH+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024836955	1	52	0.0	-75.07	427.13	2.54	-72.53
C[N@H+](CCO)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836968	1	52	0.0	-75.24	423.95	-1.13	-76.37
C[N@@H+](CCO)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836968	1	52	0.0	-75.42	423.73	-1.13	-76.55
CC(CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024836980	0	57	0.0	-77.36	453.06	3.44	-73.92
CC[N@H+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836982	0	51	0.0	-74.42	413.60	2.12	-72.30
CC[N@@H+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836982	1	51	0.0	-74.41	413.59	2.11	-72.30
CC[N@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024836992	0	55	0.0	-70.92	441.11	3.25	-67.67
CC[N@@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024836992	1	55	0.0	-71.93	442.23	3.42	-68.51
CC[NH+](CC)CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836998	0	57	0.0	-76.46	449.47	3.09	-73.37
CC1(C)C[NH+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024837006	1	55	0.0	-75.15	446.49	3.06	-72.09
C[NH+](C)CC=CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837013	0	52	0.0	-79.76	431.84	2.66	-77.10
CC(CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024837030	0	57	0.0	-75.61	453.22	3.20	-72.41
CC[N@@H+]1CCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837034	1	52	0.0	-73.03	419.54	2.27	-70.76
CC[N@H+]1CCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837034	1	52	0.0	-72.94	418.94	1.99	-70.95
C=CCC(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024837055	0	55	0.0	-70.82	439.54	2.92	-67.90
O=C(C[NH+]1CC2CC2C1)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837063	0	53	0.0	-74.97	431.19	3.32	-71.65
CCCC(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024837068	0	57	0.0	-72.16	447.77	3.22	-68.94
C[NH+](C)C(C)(C)C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837070	0	54	0.0	-79.86	423.34	2.61	-77.25
C[N@@H+]1CCCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837080	0	55	0.0	-72.02	428.49	2.86	-69.16
C[N@H+]1CCCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837080	1	55	0.0	-72.05	428.35	2.87	-69.18
C[NH+](C)C1(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024837116	0	52	0.0	-79.89	419.58	2.55	-77.34
O=C(CC[NH+]1CCCC1)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837117	0	55	0.0	-76.91	442.59	3.05	-73.86
C[N@@H+]1CC2CC1(C(=O)NCCC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024837127	0	53	0.0	-79.47	426.62	2.58	-76.89
C[N@H+]1CC2CC1(C(=O)NCCC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024837127	1	53	0.0	-78.85	426.96	2.57	-76.28
CC(C[NH+](C)C)C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837162	0	54	0.0	-76.70	434.28	2.72	-73.98
CC(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024837182	0	55	0.0	-72.45	443.48	3.19	-69.26
CC1CC[N@@H+]1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837183	1	52	0.0	-72.60	421.86	2.27	-70.33
CC1CC[N@H+]1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837183	1	52	0.0	-73.65	426.99	2.51	-71.14
C[NH+](C)[C@H]1C[C@H](C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024837214	0	55	0.0	-77.14	445.80	3.17	-73.97
CC(CC[NH+](C)C)C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837215	0	57	0.0	-76.97	455.91	3.33	-73.64
C[N@@H+]1CCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837384	0	52	0.0	-68.79	417.41	2.17	-66.62
C[N@H+]1CCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837384	1	52	0.0	-69.15	417.91	2.27	-66.88
C[N@@H+]1CCOC(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024837410	1	53	0.0	-87.04	428.59	1.69	-85.35
C[N@H+]1CCOC(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024837410	1	53	0.0	-79.02	420.93	1.51	-77.51
C[N@@H+]1CCC(CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024837560	0	55	0.0	-75.86	442.62	3.03	-72.83
C[N@H+]1CCC(CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024837560	1	55	0.0	-75.89	442.40	3.04	-72.85
CCC(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024837563	0	54	0.0	-70.46	426.46	2.53	-67.93
C[NH+](C)CCCCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837573	0	57	0.0	-75.92	461.30	3.58	-72.34
CC(C)C(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024837576	0	57	0.0	-69.44	436.31	2.80	-66.64
CCC[N@H+](C)CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837577	0	57	0.0	-74.83	457.36	3.41	-71.42
CCC[N@@H+](C)CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837577	1	57	0.0	-74.92	457.53	3.40	-71.52
CCC[N@H+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837578	0	54	0.0	-72.00	435.32	2.84	-69.16
CCC[N@@H+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837578	1	54	0.0	-71.95	435.34	2.83	-69.12
C[NH+](C)CC1(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024837617	0	55	0.0	-72.81	443.54	3.00	-69.81
CC[N@H+](C)CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837623	0	54	0.0	-74.30	436.18	2.67	-71.63
CC[N@@H+](C)CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837623	1	54	0.0	-74.06	435.86	2.66	-71.40
C[NH+]1CCC(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024837645	0	55	0.0	-76.87	440.16	2.94	-73.93
CC(C)[C@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024837660	0	57	0.0	-71.13	438.58	2.95	-68.18
C[NH+](C)C1(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024837682	0	55	0.0	-72.70	422.75	2.34	-70.36
CC1CCC[N@@H+]1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837706	0	55	0.0	-68.65	442.13	3.08	-65.57
CC1CCC[N@H+]1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837706	1	55	0.0	-69.07	441.23	3.19	-65.88
CC(C)[C@@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024837717	0	57	0.0	-69.34	436.14	2.80	-66.54
CC1CC[N@H+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024837725	0	55	0.0	-70.86	441.26	3.09	-67.77
CC1CC[N@@H+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024837725	1	55	0.0	-71.18	442.11	3.14	-68.04
CC[C@@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024837727	0	54	0.0	-70.33	423.82	2.40	-67.93
CC1=[NH+]C=CN1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837764	1	50	0.0	-69.34	424.48	3.00	-66.34
CC1=C[NH+]=CN1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837782	1	50	0.0	-71.64	424.51	3.71	-67.93
C[C@@H]1[C@H](C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024837783	0	55	0.0	-76.25	431.86	2.35	-73.90
C[C@@H]1[C@H](C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024837783	1	55	0.0	-75.26	437.46	2.62	-72.64
C[N@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024837813	0	55	0.0	-69.81	442.33	3.41	-66.40
C[N@@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024837813	1	55	0.0	-69.81	441.95	3.39	-66.42
C[NH+]1CCC(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024837819	0	55	0.0	-76.87	440.16	2.94	-73.93
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837832	0	52	0.0	-70.62	414.54	1.89	-68.73
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837832	1	52	0.0	-69.27	418.07	2.27	-67.00
C[N@@H+]1CCCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837875	0	55	0.0	-72.06	428.23	2.66	-69.40
C[N@H+]1CCCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837875	1	55	0.0	-69.00	435.48	2.92	-66.08
CC1C(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024837904	0	55	0.0	-73.13	436.91	2.93	-70.20
CC1C(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024837904	1	55	0.0	-73.15	436.51	2.95	-70.20
C[C@@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024837945	0	51	0.0	-70.26	411.60	1.75	-68.51
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024837963	0	55	0.0	-73.70	444.42	3.17	-70.53
C[N@H+](CCO)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837968	1	52	0.0	-72.51	424.20	-1.14	-73.65
C[N@@H+](CCO)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024837968	1	52	0.0	-72.39	423.96	-1.14	-73.53
CC1C[NH+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024838011	1	52	0.0	-72.14	427.39	2.52	-69.62
CC[N@H+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838043	0	51	0.0	-71.59	413.82	2.10	-69.49
CC[N@@H+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838043	1	51	0.0	-71.57	413.84	2.09	-69.48
CC(CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024838096	0	57	0.0	-76.17	449.23	3.17	-73.00
CC[N@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024838101	0	55	0.0	-68.18	444.53	3.44	-64.74
CC[N@@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024838101	1	55	0.0	-68.40	445.47	3.48	-64.92
C[N@@H+]1CC2CC1(C(=O)N1CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024838114	0	53	0.0	-73.82	421.87	2.72	-71.10
C[N@H+]1CC2CC1(C(=O)N1CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024838114	1	53	0.0	-73.80	419.11	2.57	-71.23
CC(C[NH+](C)C)C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838123	0	54	0.0	-75.13	434.86	2.56	-72.57
C[NH+](C)C1(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024838129	0	52	0.0	-73.55	416.46	1.97	-71.58
C[C@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024838139	0	51	0.0	-70.93	412.01	1.72	-69.21
CC[N@@H+]1CCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838142	0	52	0.0	-70.24	415.81	2.00	-68.24
CC[N@H+]1CCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838142	1	52	0.0	-69.43	419.14	2.00	-67.43
NC1=CC=[NH+]C=C1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838153	0	48	0.0	-76.66	404.06	-0.64	-77.30
CCCC(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024838157	0	57	0.0	-70.92	446.35	3.18	-67.74
C[NH+](C)C(C)(C)C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838160	0	54	0.0	-72.59	415.21	1.80	-70.79
CC(CC[NH+](C)C)C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838169	0	57	0.0	-75.86	456.48	3.17	-72.69
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024838228	0	53	0.0	-71.79	431.58	3.32	-68.47
C[N@@H+]1CCCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838236	0	55	0.0	-72.06	428.23	2.66	-69.40
C[N@H+]1CCCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838236	1	55	0.0	-69.00	435.48	2.92	-66.08
C[N@@H+]1CCC(=CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024838261	0	53	0.0	-79.07	433.79	2.89	-76.18
C[N@H+]1CCC(=CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024838261	1	53	0.0	-79.06	433.80	2.90	-76.16
[N-]=[N+]=NCC(=O)N1CCC(CCNC(=O)CSC2=NC(=O)NN2)C1	REAL300024838268	0	42	0.0	-26.41	373.07	-3.01	-29.42
CCC1C[NH+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024838284	0	55	0.0	-72.91	448.39	3.22	-69.69
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838289	0	52	0.0	-68.62	417.44	2.15	-66.47
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838289	1	52	0.0	-71.20	414.74	1.89	-69.31
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024838329	0	55	0.0	-74.24	445.25	3.15	-71.09
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024838370	0	55	0.0	-71.18	437.67	3.28	-67.90
C[N@@H+]1CCCC(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024838371	0	55	0.0	-70.43	432.03	3.07	-67.36
C[N@H+]1CCCC(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024838371	1	55	0.0	-66.36	429.49	3.02	-63.34
CN1C=C[N+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024838372	0	50	0.0	-69.95	427.06	4.93	-65.02
C[N@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024838382	0	52	0.0	-68.84	425.03	2.82	-66.02
C[N@@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024838382	1	52	0.0	-69.41	425.34	2.84	-66.57
CC(CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024838390	0	57	0.0	-75.08	453.12	3.44	-71.64
C[NH+]1CC(CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024838439	0	52	0.0	-73.94	427.23	2.26	-71.68
C[NH+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838446	0	48	0.0	-72.33	395.94	1.42	-70.91
C[C@@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024838454	0	51	0.0	-70.26	411.60	1.75	-68.51
CC(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024838468	0	55	0.0	-69.99	443.45	2.96	-67.03
CC1CC[N@@H+]1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838469	0	52	0.0	-70.75	427.09	2.48	-68.27
CC1CC[N@H+]1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838469	1	52	0.0	-70.63	427.16	2.50	-68.13
C[NH+](C)CC=CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838471	0	52	0.0	-80.28	432.15	2.61	-77.67
CC1(C)C[NH+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024838475	1	55	0.0	-71.90	446.15	2.99	-68.91
CC[NH+](CC)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838488	0	54	0.0	-70.10	427.52	2.49	-67.61
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024838493	1	49	0.0	-72.17	406.08	1.90	-70.27
CC[NH+](CC)CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838511	0	57	0.0	-73.47	449.39	3.08	-70.39
CC(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024838539	0	52	0.0	-69.74	413.38	1.94	-67.80
C[NH+](C)CC(C)(C)C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838543	0	57	0.0	-73.23	434.95	2.82	-70.41
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838563	0	55	0.0	-71.57	428.49	2.67	-68.90
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838563	1	55	0.0	-68.98	435.48	2.92	-66.06
C=CCC(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024838582	0	55	0.0	-68.19	437.01	2.81	-65.38
NC(=[NH2+])SCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838605	0	46	0.0	-77.80	404.40	-1.68	-79.48
CCC1C[NH+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024838660	1	55	0.0	-76.00	448.52	3.29	-72.71
C[N@@H+]1CCC[C@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838664	0	52	0.0	-71.16	421.82	2.41	-68.75
C[N@H+]1CCC[C@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838664	1	52	0.0	-73.49	415.63	1.98	-71.51
O=C(C[NH+]1CCCCC1)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024838671	0	55	0.0	-74.59	437.96	3.32	-71.27
CC1C(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024838675	0	55	0.0	-75.58	437.98	2.90	-72.68
CC1C(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024838675	1	55	0.0	-76.33	433.70	2.63	-73.70
CN(CCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[NH+](C)C	REAL300024838806	0	53	0.0	-72.64	419.29	1.08	-71.56
C[C@@H](C(=O)N(C)CCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024838811	0	56	0.0	-70.44	434.73	1.40	-69.04
CN(CCN1CCN(C(=O)CSC2=NC(=O)NN2)CC1)C(=O)CN=[N+]=[N-]	REAL300024838813	0	47	0.0	-24.42	396.26	-3.32	-27.74
C[C@@H](C(=O)N(C)CCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024838821	0	56	0.0	-70.44	434.73	1.40	-69.04
CN(CCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[NH+]1CCC1	REAL300024838828	1	54	0.0	-72.68	429.39	1.49	-71.19
C[C@H](C(=O)N(C)CCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024838833	0	56	0.0	-70.68	435.85	1.48	-69.20
CC[N@H+](C)CC(=O)N(C)CCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024838843	0	56	0.0	-71.97	438.39	1.94	-70.03
CC[N@@H+](C)CC(=O)N(C)CCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024838843	1	56	0.0	-72.02	438.39	1.93	-70.09
C[C@@H](C(=O)N1CCN(CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024838958	0	56	0.0	-73.53	437.49	1.65	-71.88
CC[N@H+](C)CC(=O)N1CCN(CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024838974	0	56	0.0	-75.42	438.39	1.91	-73.51
CC[N@@H+](C)CC(=O)N1CCN(CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024838974	1	56	0.0	-75.35	438.38	1.91	-73.44
C[C@H](C(=O)N1CCN(CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024838986	0	56	0.0	-73.78	436.73	1.58	-72.20
CN(CCN1CCN(C(=O)CN=[N+]=[N-])CC1)C(=O)CSC1=NC(=O)NN1	REAL300024839004	0	47	0.0	-24.94	396.55	-3.35	-28.29
CN(CCN1CCN(C(=O)C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839027	0	53	0.0	-70.75	419.29	1.05	-69.70
C[C@@H](C(=O)N1CCN(CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024839030	0	56	0.0	-73.53	437.49	1.65	-71.88
CN(CCN1CCN(C(=O)C[NH+]2CCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839037	1	54	0.0	-76.09	430.75	1.67	-74.42
CN(CC1CCN(C(=O)C2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839219	0	52	0.0	-64.48	410.93	3.62	-60.86
CN(CC1CCN(C(=O)C2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839219	1	52	0.0	-73.12	408.58	3.15	-69.97
CN(CC1CCN(C(=O)C2C[N@H+](C)CCO2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839243	1	53	0.0	-87.01	421.93	3.02	-83.99
CN(CC1CCN(C(=O)C2C[N@@H+](C)CCO2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839243	1	53	0.0	-78.85	414.34	2.82	-76.03
CC1=[NH+]C=CN1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839382	1	50	0.0	-70.27	418.32	4.26	-66.01
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024839400	0	55	0.0	-78.75	425.99	3.69	-75.06
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024839400	1	55	0.0	-70.00	430.50	3.97	-66.03
CN(CC1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839420	0	55	0.0	-65.94	415.44	3.73	-62.21
CC(C)[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024839422	0	57	0.0	-70.48	433.55	4.21	-66.27
CN(CC1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839431	0	55	0.0	-64.94	434.79	4.74	-60.20
CN(CC1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839431	1	55	0.0	-70.35	436.14	4.67	-65.68
CN(CC1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839455	0	55	0.0	-80.06	432.13	4.27	-75.79
CN(CC1CCN(C(=O)C2CCCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839461	0	55	0.0	-64.39	427.94	4.26	-60.13
CN(CC1CCN(C(=O)C2CCCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839461	1	55	0.0	-67.41	429.42	4.17	-63.24
CC1=C[NH+]=CN1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839478	1	50	0.0	-71.65	418.64	4.98	-66.67
CN(CC1CCN(C(=O)CC2CC[N@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839488	0	55	0.0	-76.22	437.50	4.35	-71.87
CN(CC1CCN(C(=O)CC2CC[N@@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839488	1	55	0.0	-77.72	437.73	4.35	-73.37
CCC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024839491	0	54	0.0	-65.34	418.88	3.82	-61.52
CN(CC1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839505	0	57	0.0	-77.11	454.94	4.88	-72.23
CC(C)C(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024839508	0	57	0.0	-68.27	433.08	4.20	-64.07
CCC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839509	0	57	0.0	-75.64	451.17	4.69	-70.95
CCC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839509	1	57	0.0	-75.72	451.17	4.68	-71.04
CCC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839510	0	54	0.0	-66.76	427.56	4.19	-62.57
CCC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839510	1	54	0.0	-72.29	429.18	4.09	-68.20
CN(CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839525	0	52	0.0	-70.28	412.06	3.56	-66.72
CN(CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839525	1	52	0.0	-66.28	407.72	3.24	-63.04
CC[NH+](CC)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839537	0	54	0.0	-70.38	421.17	3.78	-66.60
CN(CC1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839591	0	55	0.0	-68.53	435.47	4.28	-64.25
CN(CC1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839613	0	55	0.0	-80.06	432.13	4.27	-75.79
CC(C)[C@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024839628	0	57	0.0	-66.74	432.17	4.23	-62.51
CC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839655	0	54	0.0	-74.87	429.67	3.94	-70.93
CC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839655	1	54	0.0	-74.88	429.30	3.97	-70.91
CC1CCC[N@@H+]1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839665	0	55	0.0	-69.00	437.29	4.40	-64.60
CC1CCC[N@H+]1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839665	1	55	0.0	-69.48	434.33	4.49	-64.99
CC1CC[N@H+](CC(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024839666	0	55	0.0	-71.15	436.06	4.42	-66.73
CC1CC[N@@H+](CC(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024839666	1	55	0.0	-71.32	435.21	4.44	-66.88
CC[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024839668	0	54	0.0	-65.31	419.37	3.79	-61.52
CN(CC1CCN(C(=O)C[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839704	0	48	0.0	-72.84	389.58	2.71	-70.13
CN(CC1CCN(C(=O)C[N+]2=CN(C)C=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839705	0	50	0.0	-69.83	420.47	6.24	-63.59
CN(CC1CCN(C(=O)C2CCC[N@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839708	0	55	0.0	-62.60	421.77	4.37	-58.23
CN(CC1CCN(C(=O)C2CCC[N@@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839708	1	55	0.0	-66.01	424.96	4.42	-61.59
CC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024839715	0	52	0.0	-70.48	406.91	3.24	-67.24
CN(CC1CCN(C(=O)C(C)(C)C[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839718	0	57	0.0	-77.51	428.69	4.12	-73.39
CN(CC1CCN(C(=O)C[N@H+](C)C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839725	0	52	0.0	-64.63	418.50	4.19	-60.44
CN(CC1CCN(C(=O)C[N@@H+](C)C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839725	1	52	0.0	-69.50	418.84	4.11	-65.39
CN(CC1CCN(C(=O)CC2C[NH+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839736	0	52	0.0	-69.56	420.23	3.52	-66.04
C[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024839748	0	51	0.0	-69.67	404.25	3.01	-66.66
CN(CC1CCN(C(=O)CN=[N+]=[N-])C1)C(=O)CSC1=NC(=O)NN1	REAL300024839755	0	42	0.0	-25.91	365.35	-1.68	-27.59
C[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024839786	0	51	0.0	-69.67	404.25	3.01	-66.66
CN(CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839789	0	55	0.0	-67.28	429.97	4.24	-63.04
CN(CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839789	1	55	0.0	-65.38	420.58	4.01	-61.37
CN(CC1CCN(C(=O)C[NH+]2CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839816	1	49	0.0	-72.76	399.48	3.21	-69.55
CN(CC1CCN(C(=O)C=C2CC[N@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839825	0	53	0.0	-77.24	428.34	4.25	-72.99
CN(CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839825	1	53	0.0	-79.90	427.00	4.24	-75.66
C[C@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024839843	0	51	0.0	-66.16	404.32	3.07	-63.09
CC1C[NH+](CC(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024839859	1	52	0.0	-66.97	420.40	3.86	-63.11
CN(CC1CCN(C(=O)C[N@H+](C)CCO)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839872	1	52	0.0	-72.71	418.04	0.12	-72.59
CN(CC1CCN(C(=O)C[N@@H+](C)CCO)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839872	1	52	0.0	-67.13	416.20	0.20	-66.93
CC(CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024839884	0	57	0.0	-76.43	446.60	4.74	-71.69
CC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839886	0	51	0.0	-66.45	406.06	3.44	-63.01
CC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839886	1	51	0.0	-72.02	407.68	3.35	-68.67
CC[N@H+](CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024839896	0	55	0.0	-69.13	438.73	4.74	-64.39
CC[N@@H+](CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024839896	1	55	0.0	-70.40	430.92	4.61	-65.79
CC[NH+](CC)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839902	0	57	0.0	-68.42	442.69	4.43	-63.99
CN(CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839910	1	55	0.0	-66.74	438.70	4.34	-62.40
CN(CC1CCN(C(=O)C=CC[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839917	0	52	0.0	-81.67	425.25	3.94	-77.73
CC(CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024839934	0	57	0.0	-70.46	442.53	4.52	-65.94
CC[N@@H+]1CCC1C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839938	0	52	0.0	-69.67	412.77	3.40	-66.27
CC[N@H+]1CCC1C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024839938	1	52	0.0	-70.33	413.69	3.36	-66.97
C=CCC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024839959	0	55	0.0	-63.36	430.05	4.13	-59.23
CN(CC1CCN(C(=O)C[NH+]2CC3CC3C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839967	0	53	0.0	-72.27	425.42	4.58	-67.69
CCCC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024839972	0	57	0.0	-65.82	439.36	4.52	-61.30
CN(CC1CCN(C(=O)C(C)(C)[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839974	0	54	0.0	-76.85	408.46	3.38	-73.47
CN(CC1CCN(C(=O)C2CCCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839984	0	55	0.0	-64.39	427.94	4.26	-60.13
CN(CC1CCN(C(=O)C2CCCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839984	1	55	0.0	-67.41	429.42	4.17	-63.24
CN(CC1CCN(C(=O)C2([NH+](C)C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024840020	0	52	0.0	-73.27	409.55	3.27	-70.00
CN(CC1CCN(C(=O)CC[NH+]2CCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024840021	0	55	0.0	-68.63	437.42	4.51	-64.12
CN(CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024840031	0	53	0.0	-66.60	412.38	3.92	-62.68
CN(CC1CCN(C(=O)C23CC(C2)C[N@H+]3C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024840031	1	53	0.0	-77.08	415.57	3.86	-73.22
CC(C[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840066	0	54	0.0	-75.32	428.55	3.84	-71.48
CC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024840086	0	55	0.0	-64.93	437.85	4.27	-60.66
CC1CC[N@@H+]1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840087	0	52	0.0	-65.61	419.98	3.83	-61.78
CC1CC[N@H+]1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840087	1	52	0.0	-71.46	421.73	3.84	-67.62
CN(CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024840118	0	55	0.0	-68.96	438.39	4.48	-64.48
CC(CC[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840119	0	57	0.0	-75.72	450.21	4.47	-71.25
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@@H+]1C	REAL300024840288	0	52	0.0	-67.55	414.57	3.54	-64.01
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@H+]1C	REAL300024840288	1	52	0.0	-69.13	408.23	3.21	-65.92
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1C[N@H+](C)CCO1	REAL300024840314	1	53	0.0	-81.16	421.74	2.91	-78.25
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1C[N@@H+](C)CCO1	REAL300024840314	1	53	0.0	-68.09	415.62	2.73	-65.36
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1CC[N@H+](C)C1	REAL300024840464	0	55	0.0	-70.88	434.82	4.32	-66.56
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1CC[N@@H+](C)C1	REAL300024840464	1	55	0.0	-71.77	436.08	4.28	-67.49
CCC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024840467	0	54	0.0	-67.30	421.88	3.80	-63.50
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CCCC[NH+](C)C	REAL300024840477	0	57	0.0	-73.21	454.12	4.88	-68.33
CC(C)C(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024840480	0	57	0.0	-66.92	434.56	4.58	-62.34
CCC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840481	0	57	0.0	-71.67	450.34	4.69	-66.98
CCC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840481	1	57	0.0	-71.64	450.36	4.69	-66.95
CCC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840482	0	54	0.0	-68.85	427.98	4.12	-64.73
CCC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840482	1	54	0.0	-68.56	427.98	4.12	-64.44
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1(C[NH+](C)C)CC1	REAL300024840521	0	55	0.0	-66.28	436.44	4.31	-61.97
CC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840527	0	54	0.0	-71.01	428.86	3.94	-67.07
CC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840527	1	54	0.0	-70.97	428.86	3.95	-67.02
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CC[NH+](C)CC1	REAL300024840549	0	55	0.0	-76.86	429.45	4.18	-72.68
CC(C)[C@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024840564	0	57	0.0	-68.43	427.94	4.03	-64.40
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1([NH+](C)C)CCC1	REAL300024840586	0	55	0.0	-68.73	415.08	3.63	-65.10
CC1CCC[N@@H+]1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840610	0	55	0.0	-66.02	435.24	4.31	-61.71
CC1CCC[N@H+]1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840610	1	55	0.0	-66.20	427.55	4.05	-62.15
CC(C)[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024840621	0	57	0.0	-64.60	429.42	4.12	-60.48
CC1CC[N@H+](CC(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024840629	0	55	0.0	-68.33	434.52	4.39	-63.94
CC1CC[N@@H+](CC(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024840629	1	55	0.0	-68.58	434.39	4.43	-64.15
CC[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024840631	0	54	0.0	-64.41	415.44	3.55	-60.86
CC1=[NH+]C=CN1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840668	1	50	0.0	-65.79	418.97	4.24	-61.55
CC1=C[NH+]=CN1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840686	1	50	0.0	-66.17	417.46	4.99	-61.18
C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024840687	0	55	0.0	-71.08	424.13	3.57	-67.51
C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024840687	1	55	0.0	-73.63	427.90	4.39	-69.24
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+](C)C1CCC1	REAL300024840717	0	55	0.0	-66.52	434.87	4.66	-61.86
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+](C)C1CCC1	REAL300024840717	1	55	0.0	-67.13	434.97	4.66	-62.47
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CC[NH+](C)CC1	REAL300024840723	0	55	0.0	-76.86	429.45	4.18	-72.68
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024840736	0	52	0.0	-67.52	411.58	3.57	-63.95
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024840736	1	52	0.0	-71.01	408.38	3.21	-67.80
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCCC[N@@H+]1C	REAL300024840779	0	55	0.0	-70.89	422.54	3.90	-66.99
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCCC[N@H+]1C	REAL300024840779	1	55	0.0	-67.68	426.73	4.20	-63.48
CC1C(C(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024840808	0	55	0.0	-70.21	419.00	3.71	-66.50
CC1C(C(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024840808	1	55	0.0	-72.06	424.39	3.91	-68.15
C[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024840849	0	51	0.0	-66.08	404.05	3.04	-63.04
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC[NH+]1CCCC1	REAL300024840867	0	55	0.0	-70.28	437.08	4.45	-65.83
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+](C)CCO	REAL300024840872	1	52	0.0	-70.35	417.62	0.06	-70.29
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+](C)CCO	REAL300024840872	1	52	0.0	-70.13	418.39	0.10	-70.03
CC1C[NH+](CC(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024840915	1	52	0.0	-68.66	419.67	3.78	-64.88
CC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840947	0	51	0.0	-68.87	407.27	3.31	-65.56
CC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024840947	1	51	0.0	-68.28	406.49	3.36	-64.92
CC(CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024841000	0	57	0.0	-70.15	446.05	4.48	-65.67
CC[N@H+](CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024841005	0	55	0.0	-68.63	425.71	4.11	-64.52
CC[N@@H+](CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024841005	1	55	0.0	-66.26	434.85	4.71	-61.55
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024841018	0	53	0.0	-72.42	413.62	3.98	-68.44
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C12CC(C1)C[N@H+]2C	REAL300024841018	1	53	0.0	-75.37	415.49	3.69	-71.68
CC(C[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024841027	0	54	0.0	-71.62	424.01	3.70	-67.92
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1([NH+](C)C)CC1	REAL300024841033	0	52	0.0	-71.35	412.78	3.41	-67.94
C[C@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024841043	0	51	0.0	-68.55	405.60	3.02	-65.53
CC[N@@H+]1CCC1C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024841046	1	52	0.0	-68.77	420.01	3.49	-65.28
CC[N@H+]1CCC1C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024841046	1	52	0.0	-66.94	414.52	3.33	-63.61
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=C[NH+]=CC=C1N	REAL300024841057	0	48	0.0	-72.54	398.45	0.62	-71.92
CCCC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024841061	0	57	0.0	-69.01	440.00	4.40	-64.61
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C(C)(C)[NH+](C)C	REAL300024841064	0	54	0.0	-76.21	406.98	3.73	-72.48
CC(CC[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024841073	0	57	0.0	-72.08	445.65	4.32	-67.76
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CC2CC2C1	REAL300024841132	0	53	0.0	-68.83	424.10	4.56	-64.27
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCCC[N@@H+]1C	REAL300024841140	0	55	0.0	-70.89	422.54	3.90	-66.99
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCCC[N@H+]1C	REAL300024841140	1	55	0.0	-67.68	426.73	4.20	-63.48
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C=C1CC[N@H+](C)C1	REAL300024841165	0	53	0.0	-73.94	427.23	4.20	-69.74
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024841165	1	53	0.0	-73.86	426.27	4.22	-69.64
CN(CC1CCN(C(=O)CSC2=NC(=O)NN2)C1)C(=O)CN=[N+]=[N-]	REAL300024841172	0	42	0.0	-25.92	365.74	-1.71	-27.63
CCC1C[NH+](CC(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024841188	0	55	0.0	-70.05	441.37	4.57	-65.48
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024841193	0	52	0.0	-70.80	410.63	3.23	-67.57
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024841193	1	52	0.0	-68.74	413.31	3.51	-65.23
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024841233	0	55	0.0	-67.64	437.62	4.41	-63.23
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CCCCC1	REAL300024841274	0	55	0.0	-68.78	430.59	4.57	-64.21
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@H+](C)C1	REAL300024841275	0	55	0.0	-64.31	422.21	4.24	-60.07
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@@H+](C)C1	REAL300024841275	1	55	0.0	-70.71	430.24	4.09	-66.62
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N+]1=CN(C)C=C1	REAL300024841276	0	50	0.0	-64.92	419.99	6.21	-58.71
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+](C)C1CC1	REAL300024841286	0	52	0.0	-66.71	418.17	4.11	-62.60
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+](C)C1CC1	REAL300024841286	1	52	0.0	-65.47	418.03	4.10	-61.37
CC(CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024841294	0	57	0.0	-70.69	445.95	4.74	-65.95
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1C[NH+](C)C1	REAL300024841343	0	52	0.0	-70.13	421.97	3.54	-66.59
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+](C)C	REAL300024841350	0	48	0.0	-68.92	388.76	2.70	-66.22
C[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024841358	0	51	0.0	-66.08	404.05	3.04	-63.04
CC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024841372	0	55	0.0	-67.35	434.80	4.09	-63.26
CC1CC[N@@H+]1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024841373	1	52	0.0	-67.09	415.52	3.57	-63.52
CC1CC[N@H+]1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024841373	1	52	0.0	-66.68	414.17	3.49	-63.19
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C=CC[NH+](C)C	REAL300024841375	0	52	0.0	-75.56	425.16	3.97	-71.59
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024841379	1	55	0.0	-69.28	439.35	4.30	-64.98
CC[NH+](CC)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024841392	0	54	0.0	-67.71	420.35	3.76	-63.95
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CCC1	REAL300024841397	1	49	0.0	-69.73	399.04	3.10	-66.63
CC[NH+](CC)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024841415	0	57	0.0	-70.32	442.36	4.38	-65.94
CC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024841443	1	52	0.0	-66.19	411.98	3.46	-62.73
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C(C)(C)C[NH+](C)C	REAL300024841447	0	57	0.0	-61.84	422.64	3.85	-57.99
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024841467	0	55	0.0	-67.07	429.19	4.19	-62.88
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300024841467	1	55	0.0	-68.58	411.30	3.61	-64.97
C=CCC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024841486	0	55	0.0	-65.10	431.71	4.06	-61.04
CN(CC1CCN(C(=O)CSC(N)=[NH2+])C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841509	0	46	0.0	-77.73	397.29	-0.36	-78.09
CCC1C[NH+](CC(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024841564	0	55	0.0	-73.35	442.03	4.51	-68.84
CN(CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841568	0	52	0.0	-66.16	407.46	3.23	-62.93
CN(CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841568	1	52	0.0	-63.81	409.89	3.56	-60.25
CN(CC1CCN(C(=O)C[NH+]2CCCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841575	0	55	0.0	-65.95	430.41	4.62	-61.33
CC1C(C(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024841579	0	55	0.0	-75.82	430.65	4.17	-71.65
CC1C(C(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024841579	1	55	0.0	-68.82	429.27	4.30	-64.52
CN(CC1CCN(C(=O)C2CCC[N@@H+]2C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841727	0	55	0.0	-60.75	422.57	4.29	-56.46
CN(CC1CCN(C(=O)C2CCC[N@H+]2C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841727	1	55	0.0	-69.87	419.75	3.98	-65.89
CCC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024841827	0	57	0.0	-61.07	425.55	4.23	-56.84
CCC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024841832	0	57	0.0	-63.16	440.09	4.84	-58.32
CCC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024841832	1	57	0.0	-63.07	440.10	4.85	-58.22
CN(CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841840	0	55	0.0	-60.61	422.37	4.22	-56.39
CN(CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841840	1	55	0.0	-60.26	419.05	3.98	-56.28
CC[NH+](CC)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024841845	0	57	0.0	-61.61	432.50	4.52	-57.09
CC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024841901	0	57	0.0	-65.38	441.01	4.72	-60.66
CC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024841901	1	57	0.0	-65.18	441.01	4.70	-60.48
CC[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024841904	0	57	0.0	-61.06	425.25	4.24	-56.82
CN(CC1CCN(C(=O)C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841922	0	51	0.0	-63.93	400.91	3.45	-60.48
CC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024841926	0	55	0.0	-71.40	428.09	4.30	-67.10
CN(CC1CCN(C(=O)C[N@H+](C)C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841932	0	55	0.0	-61.17	430.32	4.86	-56.31
CN(CC1CCN(C(=O)C[N@@H+](C)C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841932	1	55	0.0	-70.34	430.38	4.85	-65.49
CN(CC1CCN(C(=O)CC2C[NH+](C)C2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841938	0	55	0.0	-74.62	432.43	4.31	-70.31
C[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024841945	0	54	0.0	-62.17	417.63	3.85	-58.32
CN(CC1CCN(C(=O)CN=[N+]=[N-])CC1)C(=O)CSC1=NC(=O)NN1	REAL300024841948	0	45	0.0	-25.53	377.61	-0.97	-26.50
C[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024841966	0	54	0.0	-62.17	417.63	3.85	-58.32
CN(CC1CCN(C(=O)C[NH+]2CCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841984	1	52	0.0	-73.88	411.20	3.86	-70.02
C[C@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024841995	0	54	0.0	-60.99	416.92	3.77	-57.22
CC1C[NH+](CC(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024842001	1	55	0.0	-63.21	432.19	4.54	-58.67
CC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842018	0	54	0.0	-62.85	418.60	4.11	-58.74
CC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842018	1	54	0.0	-62.78	418.59	4.10	-58.68
CN(CC1CCN(C(=O)C=CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024842034	0	55	0.0	-81.30	435.79	4.68	-76.62
CC[N@@H+]1CCC1C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842040	0	55	0.0	-72.89	431.81	4.36	-68.53
CC[N@H+]1CCC1C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842040	1	55	0.0	-74.36	432.09	4.42	-69.94
CN(CC1CCN(C(=O)C(C)(C)[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024842053	0	57	0.0	-58.33	420.72	3.96	-54.37
CN(CC1CCN(C(=O)C2([NH+](C)C)CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024842075	0	55	0.0	-60.82	419.92	3.89	-56.93
CC(C[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842097	0	57	0.0	-77.82	438.13	4.52	-73.30
CC1CC[N@@H+]1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842106	0	55	0.0	-71.79	432.45	4.51	-67.28
CC1CC[N@H+]1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842106	1	55	0.0	-61.34	427.06	4.32	-57.02
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1CCC[N@@H+]1C	REAL300024842215	0	55	0.0	-71.70	415.86	3.88	-67.82
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1CCC[N@H+]1C	REAL300024842215	1	55	0.0	-71.42	420.15	3.97	-67.45
CCC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024842286	0	57	0.0	-70.29	430.72	4.51	-65.78
CCC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842290	0	57	0.0	-72.18	440.33	4.88	-67.30
CCC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842290	1	57	0.0	-72.28	440.36	4.87	-67.41
CC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842307	0	57	0.0	-73.43	440.96	4.71	-68.72
CC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842307	1	57	0.0	-73.38	440.76	4.73	-68.65
CC[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024842347	0	57	0.0	-68.60	425.43	4.24	-64.36
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024842393	0	55	0.0	-69.13	423.32	4.33	-64.80
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024842393	1	55	0.0	-71.38	420.30	4.01	-67.37
C[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024842447	0	54	0.0	-70.21	413.47	3.70	-66.51
CC1C[NH+](CC(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024842471	1	55	0.0	-72.17	432.18	4.56	-67.61
CC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842489	0	54	0.0	-71.90	418.86	4.14	-67.76
CC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842489	1	54	0.0	-71.83	418.83	4.15	-67.68
CC(C[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842519	0	57	0.0	-73.65	437.44	4.57	-69.08
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1([NH+](C)C)CC1	REAL300024842522	0	55	0.0	-74.89	421.47	4.05	-70.84
C[C@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024842526	0	54	0.0	-70.32	417.54	3.82	-66.50
CC[N@@H+]1CCC1C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842529	1	55	0.0	-71.52	431.23	4.35	-67.17
CC[N@H+]1CCC1C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842529	1	55	0.0	-71.74	431.05	4.35	-67.39
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C(C)(C)[NH+](C)C	REAL300024842537	0	57	0.0	-73.85	419.57	4.52	-69.33
CN(CC1CCN(C(=O)CSC2=NC(=O)NN2)CC1)C(=O)CN=[N+]=[N-]	REAL300024842583	0	45	0.0	-23.39	378.06	-0.93	-24.32
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024842596	0	55	0.0	-71.22	416.38	3.89	-67.33
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024842596	1	55	0.0	-69.06	424.94	4.29	-64.77
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[N@H+](C)C1CC1	REAL300024842633	0	55	0.0	-69.39	430.27	4.86	-64.53
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[N@@H+](C)C1CC1	REAL300024842633	1	55	0.0	-69.26	430.37	4.88	-64.38
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)CC1C[NH+](C)C1	REAL300024842661	0	55	0.0	-73.02	432.54	4.33	-68.69
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[NH+](C)C	REAL300024842664	0	51	0.0	-72.57	401.10	3.47	-69.10
C[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024842667	0	54	0.0	-70.21	413.47	3.70	-66.51
CC1CC[N@@H+]1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842674	1	55	0.0	-69.51	427.28	4.35	-65.16
CC1CC[N@H+]1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842674	1	55	0.0	-69.96	426.91	4.26	-65.70
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C=CC[NH+](C)C	REAL300024842675	0	55	0.0	-76.33	437.50	4.75	-71.58
CC[NH+](CC)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024842681	0	57	0.0	-70.40	436.93	4.82	-65.58
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[NH+]1CCC1	REAL300024842682	1	52	0.0	-72.32	411.20	3.89	-68.43
CC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024842704	1	55	0.0	-69.82	427.80	4.38	-65.44
CN(CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024842772	0	55	0.0	-62.83	419.31	3.97	-58.86
CN(CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024842772	1	55	0.0	-70.34	426.44	4.36	-65.98
C[N@@H+]1CCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024842954	0	49	0.0	-70.99	392.24	1.67	-69.32
C[N@H+]1CCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024842954	1	49	0.0	-70.48	390.35	1.66	-68.82
C[N@@H+]1CCOC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024842978	1	50	0.0	-80.48	393.46	0.88	-79.60
C[N@H+]1CCOC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024842978	1	50	0.0	-78.84	393.87	0.91	-77.93
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843122	0	55	0.0	-68.75	424.02	2.69	-66.06
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843122	1	55	0.0	-71.73	417.42	3.02	-68.71
CC1=[NH+]C=CN1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843145	1	47	0.0	-70.46	396.95	2.43	-68.03
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024843165	0	53	0.0	-82.66	404.94	2.32	-80.34
C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024843193	0	52	0.0	-80.29	403.48	1.96	-78.33
C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024843193	1	52	0.0	-77.94	409.44	2.07	-75.87
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024843195	0	55	0.0	-77.05	420.18	2.37	-74.68
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024843195	1	55	0.0	-74.82	424.84	2.81	-72.01
CC[N@@H+]1CCOC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024843200	1	53	0.0	-79.36	411.26	1.52	-77.84
CC[N@H+]1CCOC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024843200	1	53	0.0	-77.73	411.67	1.55	-76.18
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843245	0	55	0.0	-70.83	426.68	2.85	-67.98
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024843247	0	55	0.0	-75.11	437.34	3.39	-71.72
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024843250	0	55	0.0	-75.45	431.56	3.30	-72.15
CC[N@@H+]1CCCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843253	0	55	0.0	-69.90	414.68	2.56	-67.34
CC[N@H+]1CCCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843253	1	55	0.0	-72.83	417.78	2.69	-70.14
C[NH+](C)C1(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024843263	0	52	0.0	-78.67	400.70	2.20	-76.47
CC(C)[C@@H](C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024843269	0	54	0.0	-74.15	407.57	2.33	-71.82
C[N@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024843287	0	52	0.0	-71.44	413.73	2.79	-68.65
C[N@@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024843287	1	52	0.0	-72.25	413.70	2.79	-69.46
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843341	1	51	0.0	-71.31	412.68	2.56	-68.75
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843341	1	51	0.0	-66.85	419.36	2.96	-63.89
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843346	0	55	0.0	-78.92	434.93	3.37	-75.55
C[N@H+]1CCCC1CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843346	1	55	0.0	-73.99	429.48	2.89	-71.10
C[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024843362	0	52	0.0	-74.64	410.59	2.34	-72.30
C[N@@H+]1CCCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843389	0	52	0.0	-70.62	407.94	2.40	-68.22
C[N@H+]1CCCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843389	1	52	0.0	-68.28	406.85	2.35	-65.93
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024843442	1	53	0.0	-78.75	422.78	0.87	-77.88
CC1=C[NH+]=CN1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843454	1	47	0.0	-74.09	397.31	3.17	-70.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024843470	0	53	0.0	-68.41	404.07	2.11	-66.30
C[N@@H+]1CCC(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024843475	0	52	0.0	-75.93	414.34	2.44	-73.49
C[N@H+]1CCC(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024843475	1	52	0.0	-76.67	413.99	2.47	-74.20
CCC(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024843481	0	51	0.0	-70.08	391.88	1.63	-68.45
C[NH+](C)CCCCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843528	0	54	0.0	-76.94	432.88	3.00	-73.94
CC(C)C(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024843539	0	54	0.0	-70.49	410.41	2.35	-68.14
CCC[N@H+](C)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843540	0	54	0.0	-76.88	429.14	2.83	-74.05
CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843540	1	54	0.0	-76.83	429.14	2.81	-74.02
CCC[N@H+](C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843543	0	51	0.0	-74.08	406.77	2.22	-71.86
CCC[N@@H+](C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843543	1	51	0.0	-74.18	406.77	2.21	-71.97
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024843556	0	53	0.0	-74.92	401.55	1.68	-73.24
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024843556	1	53	0.0	-77.07	401.80	1.71	-75.36
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843578	0	49	0.0	-72.19	386.72	1.36	-70.83
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843578	1	49	0.0	-70.47	389.03	1.59	-68.88
CC[NH+](CC)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843605	0	51	0.0	-71.82	403.54	2.17	-69.65
CC1CC[NH+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024843658	0	55	0.0	-74.56	430.12	3.30	-71.26
C[NH+](C)CC1(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024843676	0	52	0.0	-70.58	415.14	2.36	-68.22
C[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024843722	0	52	0.0	-74.64	410.59	2.34	-72.30
CC(C)[C@H](C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024843737	0	54	0.0	-70.57	410.63	2.36	-68.21
CCC(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024843764	0	57	0.0	-66.18	429.78	2.93	-63.25
CC[N@H+](C)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843794	0	51	0.0	-76.15	407.65	2.08	-74.07
CC[N@@H+](C)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843794	1	51	0.0	-76.02	407.65	2.07	-73.95
CC1CCC[N@@H+]1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843817	0	52	0.0	-70.72	413.58	2.48	-68.24
CC1CCC[N@H+]1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843817	1	52	0.0	-71.40	412.71	2.59	-68.81
CC1CC[N@H+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024843818	0	52	0.0	-72.98	413.80	2.47	-70.51
CC1CC[N@@H+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024843818	1	52	0.0	-72.98	412.90	2.51	-70.47
CC1(C)CC[N@H+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024843820	0	55	0.0	-73.45	432.75	3.05	-70.40
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024843820	1	55	0.0	-73.26	432.54	3.08	-70.18
C[N@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024843821	0	57	0.0	-73.74	437.17	3.31	-70.43
C[N@@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024843821	1	57	0.0	-73.99	437.71	3.39	-70.60
CC[C@@H](C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024843828	0	51	0.0	-70.08	391.89	1.63	-68.45
C[NH+](C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843900	0	45	0.0	-74.54	367.55	0.81	-73.73
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024843903	0	55	0.0	-72.94	418.63	2.86	-70.08
CN1C=C[N+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024843906	0	47	0.0	-71.52	398.78	4.33	-67.19
C[N@@H+]1CCCC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024843910	0	52	0.0	-65.41	402.38	2.45	-62.96
C[N@H+]1CCCC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024843910	1	52	0.0	-67.26	402.40	2.46	-64.80
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024843915	0	53	0.0	-74.49	419.47	2.74	-71.75
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024843915	1	53	0.0	-69.17	416.45	2.67	-66.50
CC(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024843927	1	49	0.0	-71.16	396.40	1.77	-69.39
CCC(CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024843931	0	57	0.0	-79.06	443.20	3.50	-75.56
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O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024843947	1	53	0.0	-78.95	420.67	-0.67	-79.62
C[N@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024843948	0	49	0.0	-70.73	396.83	2.22	-68.51
C[N@@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024843948	1	49	0.0	-71.74	396.95	2.22	-69.52
C[NH+]1CC(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024843962	0	49	0.0	-75.92	398.99	1.69	-74.23
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843972	0	55	0.0	-72.42	407.75	1.93	-70.49
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024843972	1	55	0.0	-70.98	428.47	2.50	-68.48
C[C@@H](C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024843982	0	48	0.0	-72.21	383.50	1.18	-71.03
[N-]=[N+]=NCC(=O)N1CCC[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024843989	0	39	0.0	-27.35	344.51	-3.58	-30.93
[NH2+]=C1SC=CN1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844031	0	45	0.0	-70.71	394.64	0.99	-69.72
C[N@H+](CCO)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844036	0	52	0.0	-75.42	418.00	-1.14	-76.56
C[N@@H+](CCO)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844036	1	52	0.0	-75.62	417.98	-1.16	-76.78
C[C@@H](C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024844037	0	48	0.0	-72.21	383.50	1.18	-71.03
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844040	0	52	0.0	-71.19	396.94	1.92	-69.27
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844040	1	52	0.0	-68.29	406.85	2.35	-65.94
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024844085	1	46	0.0	-74.19	377.65	1.23	-72.96
C[N@@H+]1CCC(=CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024844099	0	50	0.0	-79.66	404.46	2.41	-77.25
C[N@H+]1CCC(=CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024844099	1	50	0.0	-79.65	404.24	2.43	-77.22
C[NH+](C)CCOCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844119	0	52	0.0	-75.24	423.39	1.93	-73.31
C=CCC(C)(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024844130	0	55	0.0	-66.62	413.82	2.38	-64.24
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844147	0	53	0.0	-72.18	409.42	-1.68	-73.86
CC1C[NH+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024844164	1	49	0.0	-75.01	397.66	1.97	-73.04
C[N@H+](CCO)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844181	1	49	0.0	-75.17	395.62	-1.76	-76.93
C[N@@H+](CCO)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844181	1	49	0.0	-74.18	395.38	-1.76	-75.94
CC[N@@H+]1CCCC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024844200	0	55	0.0	-76.80	429.58	3.01	-73.79
CC[N@H+]1CCCC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024844200	1	55	0.0	-67.82	420.24	3.07	-64.75
CC(CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024844202	0	54	0.0	-75.88	424.56	2.88	-73.00
CC[N@H+](C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844205	0	48	0.0	-73.72	385.27	1.48	-72.24
CC[N@@H+](C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844205	1	48	0.0	-73.82	385.27	1.47	-72.35
CC[N@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024844229	0	52	0.0	-70.13	416.64	2.86	-67.27
CC[N@@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024844229	1	52	0.0	-70.94	413.92	2.84	-68.10
CC[NH+](CC)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844237	0	54	0.0	-75.64	420.99	2.49	-73.15
C[NH+]1CCC(=CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024844244	0	53	0.0	-75.45	419.96	3.10	-72.35
CC1(C)C[NH+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024844251	1	52	0.0	-74.43	418.06	2.44	-71.99
CC1(O)CC[N@H+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024844267	0	53	0.0	-74.03	424.08	-0.76	-74.79
CC1(O)CC[N@@H+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024844267	1	53	0.0	-74.86	423.94	-0.77	-75.63
C[NH+](C)CC=CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844270	0	49	0.0	-81.48	403.67	2.07	-79.41
COCC[N@H+](C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844283	1	52	0.0	-73.82	417.63	0.64	-73.18
COCC[N@@H+](C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844283	1	52	0.0	-75.47	417.91	0.65	-74.82
C[NH+](C)C1(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024844300	0	55	0.0	-66.84	407.14	1.88	-64.96
CC(CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024844302	0	54	0.0	-79.67	421.20	2.60	-77.07
CC[N@@H+]1CCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844308	1	49	0.0	-73.40	398.19	1.72	-71.68
CC[N@H+]1CCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844308	1	49	0.0	-73.59	398.65	1.74	-71.85
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024844318	0	53	0.0	-70.97	413.39	-0.64	-71.61
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300024844318	1	53	0.0	-72.98	417.16	-1.10	-74.08
C[NH+]1CCC(C)(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024844334	0	55	0.0	-69.71	415.20	2.29	-67.42
C=CCC(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024844350	0	52	0.0	-71.55	411.40	2.36	-69.19
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844357	0	55	0.0	-70.73	433.08	2.86	-67.87
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844357	1	55	0.0	-73.22	426.50	2.42	-70.80
C[NH+](C)CCCCCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844359	0	57	0.0	-75.96	454.38	3.78	-72.18
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024844364	0	50	0.0	-74.15	403.14	2.69	-71.46
CCCC(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024844376	0	54	0.0	-70.14	416.96	2.51	-67.63
C[NH+](C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844379	0	51	0.0	-71.97	387.35	1.34	-70.63
C[N@@H+]1CCCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844402	0	52	0.0	-70.62	407.94	2.40	-68.22
C[N@H+]1CCCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844402	1	52	0.0	-68.28	406.85	2.35	-65.93
C[N@H+]1CC=C(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024844421	0	53	0.0	-73.70	426.69	3.19	-70.51
C[N@@H+]1CC=C(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024844421	1	53	0.0	-71.21	426.71	3.18	-68.03
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024844451	0	53	0.0	-80.77	427.50	3.16	-77.61
C[NH+](C)C1(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024844477	0	49	0.0	-76.75	389.63	1.29	-75.46
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024844478	0	52	0.0	-75.79	414.85	2.51	-73.28
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300024844499	0	52	0.0	-78.02	400.29	-1.10	-79.12
C[N@@H+]1CC2CC1(C(=O)N1CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024844503	0	50	0.0	-73.53	394.84	1.73	-71.80
C[N@H+]1CC2CC1(C(=O)N1CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024844503	1	50	0.0	-75.98	394.22	1.73	-74.25
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024844508	0	53	0.0	-71.82	414.19	2.92	-68.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024844508	1	53	0.0	-71.33	411.51	2.70	-68.63
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024844543	1	51	0.0	-69.72	406.53	2.70	-67.02
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024844543	1	51	0.0	-72.16	406.77	2.78	-69.38
CC(C[NH+](C)C)C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844573	0	51	0.0	-70.77	405.55	1.92	-68.85
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844612	0	55	0.0	-68.45	419.31	2.93	-65.52
C[N@H+]1CCCCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844612	1	55	0.0	-77.54	426.70	3.06	-74.48
CC(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024844621	0	52	0.0	-67.85	416.01	2.31	-65.54
CC1CC[N@@H+]1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844623	1	49	0.0	-72.54	398.83	1.88	-70.66
CC1CC[N@H+]1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844623	1	49	0.0	-71.85	393.27	1.64	-70.21
C[NH+](C)CC(O)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844625	0	52	0.0	-79.72	420.12	-0.12	-79.84
CC1C[N@H+](C)CC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024844642	1	53	0.0	-85.04	415.38	1.42	-83.62
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024844642	1	53	0.0	-83.96	422.49	1.83	-82.13
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024844680	0	52	0.0	-76.55	416.65	2.57	-73.98
CC(CC[NH+](C)C)C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844684	0	54	0.0	-79.85	425.90	2.54	-77.31
C[NH+]1CCN(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024844699	1	54	0.0	-76.06	426.53	0.30	-75.76
C[N@@H+]1CCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844869	0	49	0.0	-69.93	393.19	1.87	-68.06
C[N@H+]1CCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024844869	1	49	0.0	-70.20	393.79	1.99	-68.21
C[N@@H+]1CCOC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024844895	1	50	0.0	-80.31	397.81	1.21	-79.10
C[N@H+]1CCOC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024844895	1	50	0.0	-76.54	397.86	1.20	-75.34
O=C(CC[NH+]1CCOCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845043	1	53	0.0	-78.58	422.81	0.92	-77.66
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024845051	0	53	0.0	-77.86	412.32	2.92	-74.94
C[N@@H+]1CCC(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024845074	0	52	0.0	-78.11	414.01	2.52	-75.59
C[N@H+]1CCC(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024845074	1	52	0.0	-77.19	413.88	2.52	-74.67
CCC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024845080	0	51	0.0	-70.15	398.29	1.86	-68.29
C[NH+](C)CCCCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845112	0	54	0.0	-77.87	432.91	3.06	-74.81
CC(C)C(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024845125	0	54	0.0	-70.08	411.16	2.45	-67.63
CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845126	0	54	0.0	-76.62	429.14	2.87	-73.75
CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845126	1	54	0.0	-76.58	429.17	2.86	-73.72
CCC[N@H+](C)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845129	0	51	0.0	-73.38	406.77	2.33	-71.05
CCC[N@@H+](C)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845129	1	51	0.0	-73.52	406.77	2.33	-71.19
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024845142	0	53	0.0	-82.87	409.47	2.14	-80.73
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024845142	1	53	0.0	-76.24	409.65	2.19	-74.05
CC1CC[NH+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024845167	0	55	0.0	-74.18	430.11	3.41	-70.77
C[NH+](C)CC1(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024845204	0	52	0.0	-77.34	419.99	2.69	-74.65
CC[N@H+](C)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845221	0	51	0.0	-75.78	407.65	2.12	-73.66
CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845221	1	51	0.0	-75.83	407.65	2.12	-73.71
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024845233	0	53	0.0	-80.54	408.88	2.69	-77.85
C[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024845271	0	52	0.0	-79.67	412.15	2.58	-77.09
CC(C)[C@H](C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024845286	0	54	0.0	-70.04	411.16	2.45	-67.59
C[NH+](C)C1(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024845349	0	52	0.0	-68.87	401.65	2.41	-66.46
CCC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024845376	0	57	0.0	-67.84	430.16	2.92	-64.92
CC1CCC[N@@H+]1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845385	0	52	0.0	-70.02	406.22	2.29	-67.73
CC1CCC[N@H+]1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845385	1	52	0.0	-69.91	406.24	2.29	-67.62
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845412	0	55	0.0	-71.55	415.03	2.89	-68.66
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845412	1	55	0.0	-72.77	419.90	3.12	-69.65
CC(C)[C@@H](C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024845419	0	54	0.0	-71.57	414.88	3.16	-68.41
CC1CC[N@H+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024845429	0	52	0.0	-73.00	413.58	2.65	-70.35
CC1CC[N@@H+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024845429	1	52	0.0	-73.05	413.47	2.68	-70.37
CC1(C)CC[N@H+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024845431	0	55	0.0	-72.72	432.48	3.18	-69.54
CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024845431	1	55	0.0	-72.65	432.65	3.17	-69.48
C[N@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024845432	0	57	0.0	-73.51	435.38	3.33	-70.18
C[N@@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024845432	1	57	0.0	-73.53	437.67	3.49	-70.04
CC[C@@H](C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024845439	0	51	0.0	-71.85	401.33	2.53	-69.32
CC1=[NH+]C=CN1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845519	1	47	0.0	-69.79	396.94	2.53	-67.26
CC[N@@H+]1CCOC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024845562	1	53	0.0	-79.48	415.60	1.86	-77.62
CC[N@H+]1CCOC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024845562	1	53	0.0	-76.15	415.65	1.84	-74.31
CC1=C[NH+]=CN1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845582	1	47	0.0	-73.45	397.27	3.26	-70.19
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024845587	0	52	0.0	-79.59	404.17	1.90	-77.69
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024845587	1	52	0.0	-76.02	409.63	2.41	-73.61
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024845589	0	55	0.0	-76.74	424.23	2.60	-74.14
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024845589	1	55	0.0	-74.40	428.26	3.18	-71.22
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845594	0	55	0.0	-72.17	415.18	2.53	-69.64
O=C(CCC[NH+]1CCCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845596	0	55	0.0	-75.01	436.65	3.40	-71.61
O=C(CC[NH+]1CCCCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845600	0	55	0.0	-75.10	431.54	3.34	-71.76
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845603	0	55	0.0	-70.07	427.35	3.15	-66.92
CC[N@H+]1CCCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845603	1	55	0.0	-70.31	417.91	2.99	-67.32
C[N@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024845683	0	52	0.0	-71.00	413.80	2.90	-68.10
C[N@@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024845683	1	52	0.0	-71.57	413.79	2.92	-68.65
C[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024845707	0	52	0.0	-79.67	412.15	2.58	-77.09
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845729	0	49	0.0	-72.16	387.56	1.47	-70.69
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845729	1	49	0.0	-70.21	393.79	1.99	-68.22
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845746	1	51	0.0	-72.31	414.18	2.70	-69.61
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845746	1	51	0.0	-71.56	420.09	3.21	-68.35
C[N@@H+]1CCCC1CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845751	0	55	0.0	-79.14	434.98	3.41	-75.73
C[N@H+]1CCCC1CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845751	1	55	0.0	-73.91	429.49	2.94	-70.97
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845814	0	52	0.0	-70.89	409.51	2.52	-68.37
C[N@H+]1CCCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845814	1	52	0.0	-71.45	400.16	2.34	-69.11
CC1C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024845863	0	52	0.0	-75.67	407.71	2.03	-73.64
CC1C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024845863	1	52	0.0	-72.57	408.75	2.12	-70.45
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845913	0	55	0.0	-70.68	429.04	2.62	-68.06
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845913	1	55	0.0	-70.66	412.84	2.06	-68.60
C[C@@H](C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024845926	0	48	0.0	-72.61	385.65	1.32	-71.29
C=CCC(C)(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024845938	0	55	0.0	-66.98	422.84	2.95	-64.03
O=C(CC[NH+]1CCCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845950	0	52	0.0	-75.33	415.84	2.64	-72.69
C[N@H+](CCO)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845958	1	49	0.0	-74.66	395.63	-1.65	-76.31
C[N@@H+](CCO)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024845958	1	49	0.0	-74.00	395.40	-1.65	-75.65
C[N@H+]1CC=C(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024846004	0	53	0.0	-72.27	426.69	3.24	-69.03
C[N@@H+]1CC=C(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024846004	1	53	0.0	-69.77	426.71	3.24	-66.53
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846022	0	53	0.0	-80.47	416.85	-0.93	-81.40
C[N@H+]1CC(O)CC1(C)C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846022	1	53	0.0	-83.65	415.08	-0.80	-84.45
CC1C[NH+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024846048	1	49	0.0	-73.70	398.80	2.06	-71.64
CC[N@@H+]1CCCC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024846054	0	55	0.0	-73.00	429.79	3.19	-69.81
CC[N@H+]1CCCC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024846054	1	55	0.0	-73.36	429.81	3.20	-70.16
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024846065	0	53	0.0	-77.02	420.44	3.02	-74.00
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024846065	1	53	0.0	-76.85	415.57	3.62	-73.23
O=C(C=CC[NH+]1CCCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846086	0	53	0.0	-78.48	429.85	3.34	-75.14
CC[N@H+](C)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846123	0	48	0.0	-73.24	385.27	1.58	-71.66
O=C(C[N@@H+]1CC2C=CC1C2)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846152	1	51	0.0	-69.30	406.40	2.78	-66.52
O=C(C[N@H+]1CC2C=CC1C2)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846152	1	51	0.0	-69.71	406.90	2.81	-66.90
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024846196	0	52	0.0	-81.78	403.90	-0.60	-82.38
COCC[N@H+](C)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846227	1	52	0.0	-73.61	417.66	0.75	-72.86
COCC[N@@H+](C)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846227	1	52	0.0	-74.90	417.88	0.76	-74.14
CC(CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024846230	0	54	0.0	-74.36	424.85	2.66	-71.70
C[NH+]1CCC(=CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024846238	0	53	0.0	-73.81	421.08	3.22	-70.59
CC[N@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024846243	0	52	0.0	-70.03	416.76	2.98	-67.05
CC[N@@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024846243	1	52	0.0	-70.88	413.56	2.93	-67.95
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024846268	0	50	0.0	-78.82	399.57	2.13	-76.69
C[N@H+]1CC2CC1(C(=O)N[C@H]1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024846268	1	50	0.0	-79.62	399.91	2.12	-77.50
O=C(C[N@@H+]1CC2CCC1C2)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846275	0	53	0.0	-70.34	411.74	2.82	-67.52
O=C(C[N@H+]1CC2CCC1C2)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846275	1	53	0.0	-71.84	413.98	3.01	-68.83
CC(C[NH+](C)C)C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846288	0	51	0.0	-75.48	405.96	2.19	-73.29
C[NH+](C)C1(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024846296	0	49	0.0	-79.80	391.03	2.01	-77.79
C[C@H](C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024846312	0	48	0.0	-71.65	385.72	1.33	-70.32
CC[N@@H+]1CCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846316	1	49	0.0	-71.15	392.40	1.65	-69.50
CC[N@H+]1CCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846316	1	49	0.0	-71.86	392.09	1.56	-70.30
CCC(C)(C)[NH2+]C(C)C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846322	0	57	0.0	-69.54	432.96	1.52	-68.02
NC1=CC=[NH+]C=C1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846345	0	45	0.0	-77.56	375.66	-0.58	-78.14
CCCC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024846352	0	54	0.0	-72.13	422.58	2.86	-69.27
C[NH+](C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846356	0	51	0.0	-79.71	394.74	2.09	-77.62
CC(CC[NH+](C)C)C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846369	0	54	0.0	-75.54	427.58	2.81	-72.73
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846417	0	55	0.0	-71.32	427.43	2.61	-68.71
C[N@H+]1CC(C)(C)CC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846417	1	55	0.0	-69.99	433.21	3.16	-66.83
C[NH+](C)CCCCCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846419	0	57	0.0	-77.22	454.41	3.83	-73.39
C[NH+]1CCN(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024846426	1	54	0.0	-74.51	426.59	0.41	-74.10
CC1C[N@H+](C)CC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024846467	1	53	0.0	-88.30	419.34	2.08	-86.22
CC1C[N@@H+](C)CC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024846467	1	53	0.0	-86.88	419.38	2.09	-84.79
O=C(C[NH+]1CC2CC2C1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846494	0	50	0.0	-73.85	402.88	2.80	-71.05
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846511	0	52	0.0	-70.89	409.51	2.52	-68.37
C[N@H+]1CCCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846511	1	52	0.0	-71.45	400.16	2.34	-69.11
C[N@@H+]1CCC(=CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024846569	0	50	0.0	-77.97	406.43	2.47	-75.50
C[N@H+]1CCC(=CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024846569	1	50	0.0	-77.87	405.44	2.51	-75.36
O=C(CNC1=CC=[NH+]C=C1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846571	0	48	0.0	-75.19	403.28	0.18	-75.01
[N-]=[N+]=NCC(=O)N[C@H]1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024846594	0	39	0.0	-26.75	344.51	-3.48	-30.23
C[NH+](C)C1(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024846621	0	55	0.0	-82.12	418.61	3.12	-79.00
CCC1C[NH+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024846628	1	52	0.0	-74.59	420.21	2.78	-71.81
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846637	0	49	0.0	-69.86	394.03	1.91	-67.95
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846637	1	49	0.0	-73.93	387.53	1.47	-72.46
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024846715	0	52	0.0	-74.51	417.28	2.64	-71.87
C[NH+](C)CCC1(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024846723	0	55	0.0	-78.26	442.15	3.46	-74.80
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846724	0	53	0.0	-67.42	413.80	2.90	-64.52
C[N@H+]1CC=CCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846724	1	53	0.0	-78.81	418.80	2.98	-75.83
C[NH+](C)CCOCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846752	0	52	0.0	-73.66	423.44	1.98	-71.68
[NH2+]=C1SC=CN1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846776	0	45	0.0	-70.31	394.57	1.10	-69.21
C[N@@H+]1CCCC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024846832	0	52	0.0	-75.09	412.13	2.53	-72.56
C[N@H+]1CCCC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024846832	1	52	0.0	-75.09	412.13	2.53	-72.56
O=C(C[NH+]1CCCCCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846833	0	55	0.0	-72.45	418.46	2.96	-69.49
CN1C=C[N+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024846836	0	47	0.0	-70.93	398.74	4.43	-66.50
O=C(CN1CCC(O)CC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846855	0	53	0.0	-77.73	420.35	-0.56	-78.29
O=C(C[NH+]1CCC(O)CC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846855	1	53	0.0	-77.73	420.35	-0.56	-78.29
C[N@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024846856	0	49	0.0	-71.16	396.98	2.32	-68.84
CC(CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024846874	0	54	0.0	-80.93	424.63	2.90	-78.03
CN1CCOCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846891	0	53	0.0	-70.19	410.68	0.59	-69.60
C[N@@H+]1CCOCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846891	1	53	0.0	-82.02	418.18	0.74	-81.28
C[N@H+]1CCOCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846891	1	53	0.0	-82.02	418.18	0.74	-81.28
CC1(O)CC[N@H+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024846952	0	53	0.0	-72.02	423.56	-0.67	-72.69
C[NH+]1CC(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024846973	0	49	0.0	-74.49	398.99	1.74	-72.75
C[N@H+](CCO)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846996	0	52	0.0	-75.19	417.98	-1.11	-76.30
C[N@@H+](CCO)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846996	1	52	0.0	-75.19	417.98	-1.11	-76.30
C[N@@H+]1CCCCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847011	0	55	0.0	-64.78	419.29	2.98	-61.80
C[N@H+]1CCCCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847011	1	55	0.0	-64.78	419.29	2.98	-61.80
CC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300024847021	0	52	0.0	-71.96	415.41	2.66	-69.30
CC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024847021	1	52	0.0	-71.96	415.41	2.66	-69.30
CC1CCN1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847023	0	49	0.0	-71.34	393.33	1.74	-69.60
CC1CC[N@@H+]1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847023	1	49	0.0	-72.77	398.81	1.99	-70.78
CC1CC[N@H+]1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847023	1	49	0.0	-72.77	398.81	1.99	-70.78
C[NH+](C)CC=CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847029	0	49	0.0	-79.70	404.77	2.18	-77.52
O=C(C[N@H+]1CCCC1CO)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847068	0	53	0.0	-72.51	417.15	-1.00	-73.51
CC[NH+](CC)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847070	0	51	0.0	-71.64	403.64	2.28	-69.36
O=C(CN1CCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847079	0	46	0.0	-73.89	377.64	1.34	-72.55
O=C(C[NH+]1CCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847079	1	46	0.0	-73.89	377.64	1.34	-72.55
CC[NH+](CC)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847107	0	54	0.0	-74.99	425.51	2.83	-72.16
CC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024847157	1	49	0.0	-71.86	397.52	1.86	-70.00
CCC(CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024847162	0	57	0.0	-81.94	442.73	3.53	-78.41
C[NH+](C)CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847167	0	54	0.0	-74.43	417.40	2.64	-71.79
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847196	0	52	0.0	-70.55	400.19	2.35	-68.20
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847196	1	52	0.0	-69.47	409.52	2.52	-66.95
C[NH+](C)CC(O)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847215	0	52	0.0	-80.15	420.12	-0.06	-80.21
C=CCC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024847235	0	52	0.0	-69.90	411.27	2.43	-67.47
C[NH+]1CCC(C)(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024847246	0	55	0.0	-74.30	424.79	2.99	-71.31
NC(=[NH2+])SCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847267	0	43	0.0	-78.70	376.07	-2.23	-80.93
C[NH+](C)CCC1(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024847290	0	55	0.0	-72.60	439.12	3.20	-69.40
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847291	0	53	0.0	-68.91	413.74	2.86	-66.05
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847291	1	53	0.0	-66.19	413.74	2.87	-63.32
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847377	0	49	0.0	-73.55	385.96	1.35	-72.20
CC1C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024847399	0	52	0.0	-74.55	409.58	2.15	-72.40
CC1C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024847399	1	52	0.0	-74.55	409.58	2.15	-72.40
CN1CCOCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847427	0	53	0.0	-71.79	410.71	0.54	-71.25
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847427	1	53	0.0	-81.35	418.05	0.67	-80.68
C[N@H+]1CCOCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847427	1	53	0.0	-81.35	418.05	0.67	-80.68
C[N@@H+]1CCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847639	0	49	0.0	-70.54	393.86	2.00	-68.54
CN1CCOC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024847663	0	50	0.0	-76.55	397.79	1.21	-75.34
C[N@@H+]1CCOC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024847663	1	50	0.0	-87.69	404.94	1.38	-86.31
C[N@H+]1CCOC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024847663	1	50	0.0	-87.69	404.94	1.38	-86.31
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847807	0	55	0.0	-71.58	415.49	2.80	-68.78
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847807	1	55	0.0	-71.58	415.49	2.80	-68.78
CC1=NC=CN1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847830	0	47	0.0	-70.43	397.02	2.54	-67.89
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847830	1	47	0.0	-70.43	397.02	2.54	-67.89
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024847850	0	53	0.0	-80.56	408.75	2.71	-77.85
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024847878	0	52	0.0	-77.19	410.41	2.18	-75.01
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024847878	1	52	0.0	-77.19	410.41	2.18	-75.01
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024847880	0	55	0.0	-75.08	429.45	2.96	-72.12
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024847880	1	55	0.0	-75.08	429.45	2.96	-72.12
CCN1CCOC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024847885	0	53	0.0	-86.84	422.75	2.02	-84.82
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024847885	1	53	0.0	-79.40	415.61	1.84	-77.56
CC[N@H+]1CCOC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024847885	1	53	0.0	-79.40	415.61	1.84	-77.56
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847930	0	55	0.0	-69.91	424.52	2.80	-67.11
O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847932	0	55	0.0	-75.08	436.35	3.38	-71.70
O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847935	0	55	0.0	-75.11	431.08	3.32	-71.79
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024847938	0	55	0.0	-69.55	417.91	2.99	-66.56
C[NH+](C)C1(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024847948	0	52	0.0	-81.13	400.19	2.47	-78.66
CC(C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024847954	0	54	0.0	-70.61	413.13	2.45	-68.16
C[N@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024847972	0	52	0.0	-71.35	413.78	2.92	-68.43
C[N@@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024847972	1	52	0.0	-71.35	413.78	2.92	-68.43
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848026	0	51	0.0	-71.02	414.20	2.70	-68.32
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848026	1	51	0.0	-71.14	419.99	3.21	-67.93
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848026	1	51	0.0	-71.14	419.99	3.21	-67.93
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848031	0	55	0.0	-79.07	431.11	3.27	-75.80
C[N@H+]1CCCC1CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848031	1	55	0.0	-79.07	431.11	3.27	-75.80
C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024848047	0	52	0.0	-80.49	412.12	2.58	-77.91
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848074	0	52	0.0	-70.54	400.21	2.36	-68.18
O=C(CCN1CCOCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848127	0	53	0.0	-78.27	422.81	0.92	-77.35
O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848127	1	53	0.0	-78.27	422.81	0.92	-77.35
CC1=CN=CN1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848139	0	47	0.0	-72.29	397.34	3.27	-69.02
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848139	1	47	0.0	-72.29	397.34	3.27	-69.02
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024848155	0	53	0.0	-78.63	412.15	2.91	-75.72
C[N@@H+]1CCC(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848160	0	52	0.0	-77.40	414.10	2.52	-74.88
C[N@H+]1CCC(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848160	1	52	0.0	-78.09	413.86	2.51	-75.58
CCC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024848166	0	51	0.0	-70.87	397.95	1.92	-68.95
C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848213	0	54	0.0	-77.83	432.90	3.06	-74.77
CC(C)C(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024848224	0	54	0.0	-72.49	416.57	3.14	-69.35
CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848225	0	54	0.0	-76.62	429.18	2.87	-73.75
CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848225	1	54	0.0	-76.66	429.14	2.87	-73.79
CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848228	0	51	0.0	-73.49	406.77	2.33	-71.16
CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848228	1	51	0.0	-73.37	406.74	2.32	-71.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024848241	0	53	0.0	-85.19	408.55	2.19	-83.00
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024848241	1	53	0.0	-75.59	409.09	2.12	-73.47
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848263	0	49	0.0	-74.02	387.58	1.49	-72.53
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848263	1	49	0.0	-70.13	393.30	1.97	-68.16
CC[NH+](CC)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848290	0	51	0.0	-71.73	399.13	2.00	-69.73
CC1CC[NH+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024848343	0	55	0.0	-74.22	430.11	3.41	-70.81
C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024848361	0	52	0.0	-79.75	416.86	2.88	-76.87
C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024848407	0	52	0.0	-80.49	412.12	2.58	-77.91
CC(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024848422	0	54	0.0	-72.82	417.24	2.98	-69.84
CCC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024848449	0	57	0.0	-67.37	430.14	2.93	-64.44
CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848479	0	51	0.0	-75.82	407.64	2.13	-73.69
CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848479	1	51	0.0	-75.83	407.64	2.12	-73.71
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848502	0	52	0.0	-69.95	406.24	2.30	-67.65
CC1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848502	1	52	0.0	-70.04	406.17	2.28	-67.76
CC1CC[N@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848503	0	52	0.0	-72.23	413.83	2.58	-69.65
CC1CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848503	1	52	0.0	-72.91	413.62	2.66	-70.25
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848505	0	55	0.0	-72.67	432.54	3.15	-69.52
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848505	1	55	0.0	-72.70	432.46	3.17	-69.53
C[N@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024848506	0	57	0.0	-73.55	437.14	3.39	-70.16
C[N@@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024848506	1	57	0.0	-73.17	437.65	3.47	-69.70
CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024848513	0	51	0.0	-69.49	398.20	1.92	-67.57
C[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848585	0	45	0.0	-73.84	367.59	0.92	-72.92
O=C(C[NH+]1CCCCCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848588	0	55	0.0	-72.91	418.67	2.98	-69.93
CN1C=C[N+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024848591	0	47	0.0	-70.97	398.77	4.43	-66.54
C[N@@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848595	0	52	0.0	-75.13	412.11	2.54	-72.59
C[N@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848595	1	52	0.0	-65.41	405.93	2.75	-62.66
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024848600	0	53	0.0	-76.13	417.89	2.93	-73.20
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024848600	1	53	0.0	-68.16	420.05	3.24	-64.92
CC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024848612	1	49	0.0	-71.19	395.75	2.00	-69.19
CCC(CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024848616	0	57	0.0	-77.29	438.89	3.40	-73.89
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848621	0	54	0.0	-70.10	415.12	2.63	-67.47
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848632	1	53	0.0	-77.33	420.39	-0.55	-77.88
C[N@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024848633	0	49	0.0	-70.39	396.78	2.31	-68.08
C[N@@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024848633	1	49	0.0	-70.93	396.93	2.31	-68.62
C[NH+]1CC(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848647	0	49	0.0	-75.75	398.69	1.66	-74.09
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848657	0	55	0.0	-72.49	408.66	2.39	-70.10
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848657	1	55	0.0	-70.37	429.05	2.66	-67.71
C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024848667	0	48	0.0	-71.59	385.65	1.32	-70.27
[N-]=[N+]=NCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024848674	0	39	0.0	-26.67	344.54	-3.48	-30.15
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848716	0	45	0.0	-69.42	394.65	1.11	-68.31
C[N@H+](CCO)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848721	0	52	0.0	-75.82	418.00	-1.10	-76.92
C[N@@H+](CCO)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848721	1	52	0.0	-74.88	417.95	-1.10	-75.98
C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024848722	0	48	0.0	-71.59	385.65	1.32	-70.27
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848725	0	52	0.0	-71.42	400.19	2.35	-69.07
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848725	1	52	0.0	-70.86	409.50	2.52	-68.34
O=C(C[NH+]1CCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848770	1	46	0.0	-73.77	377.86	1.44	-72.33
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848784	0	50	0.0	-77.66	406.43	2.47	-75.19
C[N@H+]1CCC(=CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848784	1	50	0.0	-78.03	406.39	2.47	-75.56
C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848804	0	52	0.0	-74.70	423.38	1.97	-72.73
C=CCC(C)(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024848815	0	55	0.0	-76.42	419.37	2.70	-73.72
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848832	0	53	0.0	-79.95	415.39	-0.79	-80.74
CC1CN(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848849	0	49	0.0	-73.72	398.51	2.00	-71.72
CC1C[NH+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848849	1	49	0.0	-73.72	398.51	2.00	-71.72
CN(CCO)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848866	0	49	0.0	-74.15	395.60	-1.66	-75.81
C[N@H+](CCO)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848866	1	49	0.0	-74.48	395.41	-1.65	-76.13
C[N@@H+](CCO)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848866	1	49	0.0	-74.48	395.41	-1.65	-76.13
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848885	0	55	0.0	-65.46	423.59	3.41	-62.05
CC[N@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848885	1	55	0.0	-65.46	423.59	3.41	-62.05
CC(CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024848887	0	54	0.0	-76.71	424.70	2.91	-73.80
CC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848890	0	48	0.0	-73.20	385.27	1.59	-71.61
CC[N@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024848914	0	52	0.0	-70.84	413.56	2.92	-67.92
CC[NH+](CC)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848922	0	54	0.0	-74.81	425.64	2.82	-71.99
CC1(O)CC[N@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024848952	0	53	0.0	-72.15	423.67	-0.67	-72.82
C[NH+](C)CC=CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848955	0	49	0.0	-78.95	403.50	2.15	-76.80
COCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848968	0	52	0.0	-74.25	417.66	0.75	-73.50
COCC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848968	1	52	0.0	-74.38	417.85	0.74	-73.64
COCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848968	1	52	0.0	-74.38	417.85	0.74	-73.64
C[NH+](C)C1(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024848985	0	55	0.0	-81.20	419.21	3.10	-78.10
CC(CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024848987	0	54	0.0	-74.18	424.83	2.64	-71.54
CCN1CCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848993	0	49	0.0	-73.25	399.17	1.94	-71.31
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848993	1	49	0.0	-73.09	399.18	1.94	-71.15
CC[N@H+]1CCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848993	1	49	0.0	-73.09	399.18	1.94	-71.15
O=C(C[N@H+]1CCCC1CO)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849003	0	53	0.0	-73.22	420.78	-0.46	-73.68
C[NH+]1CCC(C)(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024849019	0	55	0.0	-74.36	424.80	2.99	-71.37
C=CCC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024849035	0	52	0.0	-68.93	410.60	2.38	-66.55
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849042	0	55	0.0	-70.86	433.31	3.15	-67.71
C[NH+](C)CCCCCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849044	0	57	0.0	-77.24	454.41	3.83	-73.41
CCCC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024849061	0	54	0.0	-71.41	422.81	3.29	-68.12
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849064	0	51	0.0	-79.29	394.82	2.08	-77.21
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849087	0	52	0.0	-70.54	400.21	2.36	-68.18
C[N@H+]1CC=C(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024849106	0	53	0.0	-69.82	426.71	3.23	-66.59
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024849106	1	53	0.0	-69.82	426.71	3.23	-66.59
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849136	0	53	0.0	-77.75	428.45	3.27	-74.48
C[NH+](C)C1(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024849162	0	49	0.0	-80.37	391.04	1.97	-78.40
O=C(CC[NH+]1CCCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849163	0	52	0.0	-75.46	414.94	2.57	-72.89
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024849184	0	52	0.0	-84.09	403.84	-0.62	-84.71
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024849188	0	50	0.0	-79.45	399.76	2.07	-77.38
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024849188	1	50	0.0	-78.55	400.00	1.99	-76.56
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849193	0	53	0.0	-71.78	414.04	3.01	-68.77
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849193	1	53	0.0	-71.62	413.92	3.01	-68.61
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849228	1	51	0.0	-69.90	406.48	2.77	-67.13
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849228	1	51	0.0	-69.27	406.69	2.80	-66.47
CC(C[NH+](C)C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849258	0	51	0.0	-75.46	406.02	2.20	-73.26
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849297	0	55	0.0	-77.99	426.80	3.11	-74.88
C[N@H+]1CCCCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849297	1	55	0.0	-77.44	426.80	3.10	-74.34
CC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024849306	1	52	0.0	-70.97	416.49	2.62	-68.35
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849308	1	49	0.0	-72.87	398.90	2.01	-70.86
CC1CC[N@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849308	1	49	0.0	-71.31	393.29	1.71	-69.60
C[NH+](C)CC(O)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849310	0	52	0.0	-80.16	420.11	-0.08	-80.24
CC1C[N@H+](C)CC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024849327	1	53	0.0	-81.01	418.99	1.92	-79.09
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024849327	1	53	0.0	-89.68	426.14	2.11	-87.57
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024849365	0	52	0.0	-76.32	417.23	2.63	-73.69
CC(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849369	0	54	0.0	-75.50	427.60	2.80	-72.70
C[NH+]1CCN(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024849384	1	54	0.0	-73.38	426.56	0.43	-72.95
C[N@@H+]1CCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849554	0	49	0.0	-69.94	389.34	1.58	-68.36
C[N@H+]1CCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849554	1	49	0.0	-67.80	393.26	1.77	-66.03
C[N@@H+]1CCOC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024849580	1	50	0.0	-87.37	400.39	1.06	-86.31
C[N@H+]1CCOC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024849580	1	50	0.0	-81.76	401.08	1.08	-80.68
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024849728	1	53	0.0	-78.78	422.81	0.87	-77.91
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024849736	0	53	0.0	-68.38	404.14	2.13	-66.25
C[N@@H+]1CCC(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024849759	0	52	0.0	-76.82	414.09	2.48	-74.34
C[N@H+]1CCC(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024849759	1	52	0.0	-77.94	413.99	2.48	-75.46
CCC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024849765	0	51	0.0	-72.77	398.04	1.87	-70.90
C[NH+](C)CCCCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849797	0	54	0.0	-76.98	432.92	3.00	-73.98
CC(C)C(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024849810	0	54	0.0	-75.22	416.94	2.28	-72.94
CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849811	0	54	0.0	-76.84	429.14	2.83	-74.01
CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849811	1	54	0.0	-76.87	429.11	2.82	-74.05
CCC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849814	0	51	0.0	-74.15	406.81	2.23	-71.92
CCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849814	1	51	0.0	-74.04	406.80	2.24	-71.80
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024849827	0	53	0.0	-79.17	400.51	1.69	-77.48
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024849827	1	53	0.0	-75.72	401.25	1.66	-74.06
CC1CC[NH+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024849852	0	55	0.0	-74.47	430.12	3.30	-71.17
C[NH+](C)CC1(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024849889	0	52	0.0	-71.31	415.96	2.43	-68.88
CC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849906	0	51	0.0	-76.05	407.61	2.09	-73.96
CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849906	1	51	0.0	-76.11	407.64	2.08	-74.03
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024849918	0	53	0.0	-82.62	405.04	2.34	-80.28
C[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024849956	0	52	0.0	-79.57	411.48	2.39	-77.18
CC(C)[C@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024849971	0	54	0.0	-74.44	408.31	2.29	-72.15
C[NH+](C)C1(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024850034	0	52	0.0	-73.63	392.44	1.66	-71.97
CCC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024850061	0	57	0.0	-69.30	428.57	3.24	-66.06
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850070	0	52	0.0	-71.38	412.82	2.60	-68.78
CC1CCC[N@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850070	1	52	0.0	-70.41	406.24	2.20	-68.21
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850097	0	55	0.0	-72.42	418.09	3.22	-69.20
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850097	1	55	0.0	-70.28	414.38	3.01	-67.27
CC(C)[C@@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024850104	0	54	0.0	-69.33	403.50	2.35	-66.98
CC1CC[N@H+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024850114	0	52	0.0	-73.32	413.64	2.57	-70.75
CC1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024850114	1	52	0.0	-73.38	412.76	2.56	-70.82
CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024850116	0	55	0.0	-73.22	432.63	3.05	-70.17
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024850116	1	55	0.0	-73.19	432.46	3.06	-70.13
C[N@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024850117	0	57	0.0	-74.01	437.18	3.31	-70.70
C[N@@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024850117	1	57	0.0	-73.60	437.69	3.38	-70.22
CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024850124	0	51	0.0	-71.63	397.17	1.78	-69.85
CC1=[NH+]C=CN1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850204	1	47	0.0	-71.14	396.98	2.43	-68.71
CC[N@@H+]1CCOC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024850247	1	53	0.0	-85.36	418.17	1.69	-83.67
CC[N@H+]1CCOC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024850247	1	53	0.0	-79.43	411.28	1.52	-77.91
CC1=C[NH+]=CN1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850267	1	47	0.0	-73.06	397.31	3.16	-69.90
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024850272	0	52	0.0	-74.41	401.24	2.21	-72.20
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024850272	1	52	0.0	-73.62	404.87	2.44	-71.18
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024850274	0	55	0.0	-71.79	424.81	2.45	-69.34
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024850274	1	55	0.0	-74.57	424.95	2.65	-71.92
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850279	0	55	0.0	-69.91	424.25	2.67	-67.24
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024850281	0	55	0.0	-75.03	436.41	3.33	-71.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024850285	0	55	0.0	-75.40	431.55	3.30	-72.10
CC[N@@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850288	0	55	0.0	-68.22	425.94	3.06	-65.16
CC[N@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850288	1	55	0.0	-70.15	425.11	2.97	-67.18
C[N@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024850368	0	52	0.0	-71.94	413.67	2.80	-69.14
C[N@@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024850368	1	52	0.0	-71.88	413.70	2.79	-69.09
C[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024850392	0	52	0.0	-79.57	411.48	2.39	-77.18
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850414	0	49	0.0	-74.65	386.49	1.35	-73.30
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850414	1	49	0.0	-71.11	389.32	1.66	-69.45
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850431	1	51	0.0	-69.23	412.65	2.58	-66.65
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850431	1	51	0.0	-71.86	415.37	2.83	-69.03
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850436	0	55	0.0	-73.29	435.53	3.22	-70.07
C[N@H+]1CCCC1CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850436	1	55	0.0	-73.48	429.50	2.89	-70.59
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850499	0	52	0.0	-69.11	407.85	2.40	-66.71
C[N@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850499	1	52	0.0	-71.27	407.30	2.35	-68.92
CC1C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024850548	0	52	0.0	-77.00	407.68	2.46	-74.54
CC1C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024850548	1	52	0.0	-74.00	405.18	2.32	-71.68
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850598	0	55	0.0	-71.15	428.30	2.48	-68.67
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850598	1	55	0.0	-70.06	428.19	2.48	-67.58
C[C@@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024850611	0	48	0.0	-71.62	383.60	1.19	-70.43
C=CCC(C)(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024850623	0	55	0.0	-66.83	412.95	2.29	-64.54
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024850635	0	52	0.0	-75.53	415.87	2.59	-72.94
C[N@H+](CCO)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850643	1	49	0.0	-74.33	395.63	-1.75	-76.08
C[N@@H+](CCO)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850643	1	49	0.0	-74.79	395.41	-1.76	-76.55
C[N@H+]1CC=C(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024850689	0	53	0.0	-73.63	426.67	3.18	-70.45
C[N@@H+]1CC=C(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024850689	1	53	0.0	-71.30	426.69	3.18	-68.12
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850707	0	53	0.0	-79.85	404.73	-1.79	-81.64
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850707	1	53	0.0	-70.49	409.94	-1.68	-72.17
CC1C[NH+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024850733	1	49	0.0	-74.62	397.63	1.98	-72.64
CC[N@@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024850739	0	55	0.0	-69.80	419.28	2.87	-66.93
CC[N@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024850739	1	55	0.0	-72.62	428.35	2.96	-69.66
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024850750	0	53	0.0	-68.55	418.17	2.98	-65.57
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024850750	1	53	0.0	-72.46	416.56	2.67	-69.79
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024850771	0	53	0.0	-80.28	428.78	3.25	-77.03
CC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850808	0	48	0.0	-73.76	385.31	1.49	-72.27
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CN2CC3C=CC2C3)C1	REAL300024850837	0	51	0.0	-70.55	406.36	2.71	-67.84
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024850837	1	51	0.0	-69.64	406.72	2.69	-66.95
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024850837	1	51	0.0	-69.64	406.72	2.69	-66.95
COCCN(C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850912	0	52	0.0	-74.64	417.66	0.64	-74.00
COCC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850912	1	52	0.0	-74.60	417.89	0.65	-73.95
COCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850912	1	52	0.0	-74.60	417.89	0.65	-73.95
CC(CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024850915	0	54	0.0	-79.36	420.90	2.61	-76.75
CC[N@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024850928	0	52	0.0	-72.44	408.88	2.72	-69.72
C[N@@H+]1CC2CC1(C(=O)N1CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024850953	0	50	0.0	-73.50	394.46	1.72	-71.78
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024850960	0	53	0.0	-71.82	414.11	2.92	-68.90
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024850960	1	53	0.0	-71.82	414.11	2.92	-68.90
CC(C[NH+](C)C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024850973	0	51	0.0	-75.71	403.50	1.85	-73.86
CCN1CCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851001	0	49	0.0	-71.47	391.50	1.51	-69.96
CC[N@@H+]1CCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851001	1	49	0.0	-73.46	398.22	1.72	-71.74
CC[N@H+]1CCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851001	1	49	0.0	-73.46	398.22	1.72	-71.74
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851007	0	57	0.0	-70.15	430.66	1.23	-68.92
CCCC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024851037	0	54	0.0	-71.87	419.78	2.65	-69.22
C[NH+](C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851041	0	51	0.0	-73.07	388.86	1.23	-71.84
CC(CC[NH+](C)C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851054	0	54	0.0	-79.10	427.57	2.59	-76.51
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851102	0	55	0.0	-70.73	426.66	2.41	-68.32
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851102	1	55	0.0	-70.73	426.66	2.41	-68.32
C[NH+](C)CCCCCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851104	0	57	0.0	-75.97	454.42	3.78	-72.19
CN1CCN(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024851111	0	54	0.0	-75.07	426.56	0.32	-74.75
C[NH+]1CCN(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024851111	1	54	0.0	-75.07	426.56	0.32	-74.75
CC1C[N@H+](C)CC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024851152	1	53	0.0	-88.66	414.35	1.37	-87.29
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024851152	1	53	0.0	-72.14	413.76	1.60	-70.54
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024851179	0	50	0.0	-74.17	402.36	2.65	-71.52
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851196	0	52	0.0	-69.11	407.85	2.40	-66.71
C[N@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851196	1	52	0.0	-71.27	407.30	2.35	-68.92
C[N@@H+]1CCC(=CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024851254	0	50	0.0	-79.47	405.33	2.38	-77.09
C[N@H+]1CCC(=CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024851254	1	50	0.0	-80.41	405.34	2.38	-78.03
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024851256	0	48	0.0	-77.01	403.27	0.09	-76.92
[N-]=[N+]=NCC(=O)N1CCC[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024851279	0	39	0.0	-27.13	344.51	-3.58	-30.71
C[NH+](C)C1(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024851306	0	55	0.0	-75.41	411.92	2.25	-73.16
CCC1C[NH+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024851313	0	52	0.0	-75.28	419.98	2.62	-72.66
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851322	0	49	0.0	-69.87	389.41	1.59	-68.28
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851322	1	49	0.0	-71.70	386.16	1.35	-70.35
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024851400	0	52	0.0	-73.66	416.52	2.53	-71.13
C[NH+](C)CCC1(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024851408	0	55	0.0	-73.44	437.62	3.11	-70.33
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851409	0	53	0.0	-66.22	413.76	2.86	-63.36
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851409	1	53	0.0	-77.55	418.70	2.92	-74.63
C[NH+](C)CCOCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851437	0	52	0.0	-76.35	423.38	1.92	-74.43
[NH2+]=C1SC=CN1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851461	0	45	0.0	-69.72	394.60	0.99	-68.73
C[N@@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024851517	0	52	0.0	-75.23	411.52	2.35	-72.88
C[N@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024851517	1	52	0.0	-75.23	411.52	2.35	-72.88
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024851518	0	55	0.0	-73.62	418.67	2.86	-70.76
CN1C=C[N+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024851521	0	47	0.0	-71.55	398.78	4.33	-67.22
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CN2CCC(O)CC2)C1	REAL300024851540	0	53	0.0	-78.81	420.63	-0.65	-79.46
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024851540	1	53	0.0	-78.81	420.63	-0.65	-79.46
C[N@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024851541	0	49	0.0	-71.44	396.98	2.23	-69.21
CC(CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024851559	0	54	0.0	-76.56	424.53	2.88	-73.68
CN1CCOCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851576	0	53	0.0	-81.36	418.09	0.67	-80.69
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851576	1	53	0.0	-80.76	418.12	0.67	-80.09
C[N@H+]1CCOCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851576	1	53	0.0	-80.76	418.12	0.67	-80.09
CC1(O)CC[N@H+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024851637	0	53	0.0	-74.09	424.08	-0.77	-74.86
C[NH+]1CC(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024851658	0	49	0.0	-74.48	398.99	1.68	-72.80
C[N@H+](CCO)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851681	0	52	0.0	-75.11	417.98	-1.16	-76.27
C[N@@H+](CCO)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851681	1	52	0.0	-75.11	417.98	-1.16	-76.27
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851696	0	55	0.0	-76.82	426.73	3.03	-73.79
C[N@H+]1CCCCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851696	1	55	0.0	-76.82	426.73	3.03	-73.79
CC1CCN1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851708	0	49	0.0	-73.16	398.80	1.87	-71.29
CC1CC[N@@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851708	1	49	0.0	-71.54	393.90	1.69	-69.85
CC1CC[N@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851708	1	49	0.0	-71.54	393.90	1.69	-69.85
C[NH+](C)CC=CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851714	0	49	0.0	-81.34	402.44	2.04	-79.30
CC1(C)CN(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024851719	0	52	0.0	-74.36	418.15	2.43	-71.93
CC1(C)C[NH+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024851719	1	52	0.0	-74.36	418.15	2.43	-71.93
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024851753	0	53	0.0	-70.96	413.41	-0.63	-71.59
CC[NH+](CC)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851755	0	51	0.0	-72.13	399.13	1.88	-70.25
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CN2CCC2)C1	REAL300024851764	0	46	0.0	-74.19	377.85	1.28	-72.91
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024851764	1	46	0.0	-74.19	377.85	1.28	-72.91
CC[NH+](CC)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851792	0	54	0.0	-75.29	420.98	2.49	-72.80
CC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300024851842	0	49	0.0	-75.86	385.98	1.52	-74.34
CC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024851842	1	49	0.0	-75.86	385.98	1.52	-74.34
CCC(CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024851847	0	57	0.0	-75.62	440.37	3.68	-71.94
C[NH+](C)CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851852	0	54	0.0	-75.19	406.18	1.80	-73.39
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851881	0	52	0.0	-70.62	408.01	2.42	-68.20
C[NH+](C)CC(O)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851900	0	52	0.0	-79.44	420.02	-0.12	-79.56
C=CCC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024851920	0	52	0.0	-68.72	408.99	2.21	-66.51
C[NH+]1CCC(C)(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024851931	0	55	0.0	-76.34	415.92	2.30	-74.04
NC(=[NH2+])SCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851952	0	43	0.0	-77.20	376.04	-2.23	-79.43
C[NH+](C)CCC1(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024851975	0	55	0.0	-82.27	442.32	3.46	-78.81
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851976	0	53	0.0	-78.01	418.74	2.98	-75.03
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024851976	1	53	0.0	-78.01	418.74	2.98	-75.03
CCC1C[NH+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024852057	1	52	0.0	-74.84	420.21	2.78	-72.06
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852062	1	49	0.0	-72.04	387.48	1.46	-70.58
O=C(C[NH+]1CCCCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852079	0	52	0.0	-73.36	409.26	2.79	-70.57
CC1C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024852084	0	52	0.0	-75.94	409.66	2.39	-73.55
CC1C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024852084	1	52	0.0	-73.69	408.78	2.10	-71.59
CN1CCOCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852112	0	53	0.0	-81.41	418.17	0.74	-80.67
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852112	1	53	0.0	-82.02	418.15	0.72	-81.30
C[N@H+]1CCOCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852112	1	53	0.0	-81.41	418.17	0.74	-80.67
CCOCC(N=[N+]=[N-])C(=O)N[C@@H]1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024852119	0	49	0.0	-26.14	420.75	-2.79	-28.93
C[N@@H+]1CCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852324	0	49	0.0	-69.93	393.19	1.87	-68.06
C[N@H+]1CCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852324	1	49	0.0	-70.20	393.79	1.99	-68.21
C[N@@H+]1CCOC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024852348	1	50	0.0	-80.31	397.81	1.21	-79.10
C[N@H+]1CCOC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024852348	1	50	0.0	-76.54	397.86	1.20	-75.34
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852492	0	55	0.0	-71.55	415.03	2.89	-68.66
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852492	1	55	0.0	-72.77	419.90	3.12	-69.65
CC1=[NH+]C=CN1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852515	1	47	0.0	-69.79	396.94	2.53	-67.26
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024852535	0	53	0.0	-80.54	408.88	2.69	-77.85
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024852563	0	52	0.0	-79.59	404.17	1.90	-77.69
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024852563	1	52	0.0	-76.02	409.63	2.41	-73.61
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024852565	0	55	0.0	-76.74	424.23	2.60	-74.14
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024852565	1	55	0.0	-74.40	428.26	3.18	-71.22
CC[N@@H+]1CCOC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024852570	1	53	0.0	-79.48	415.60	1.86	-77.62
CC[N@H+]1CCOC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024852570	1	53	0.0	-76.15	415.65	1.84	-74.31
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852615	0	55	0.0	-72.17	415.18	2.53	-69.64
O=C(CCC[NH+]1CCCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852617	0	55	0.0	-75.01	436.65	3.40	-71.61
O=C(CC[NH+]1CCCCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852620	0	55	0.0	-75.10	431.54	3.34	-71.76
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852623	0	55	0.0	-70.07	427.35	3.15	-66.92
CC[N@H+]1CCCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852623	1	55	0.0	-70.31	417.91	2.99	-67.32
C[NH+](C)C1(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024852633	0	52	0.0	-68.87	401.65	2.41	-66.46
CC(C)[C@@H](C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024852639	0	54	0.0	-71.57	414.88	3.16	-68.41
C[N@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024852657	0	52	0.0	-71.00	413.80	2.90	-68.10
C[N@@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024852657	1	52	0.0	-71.57	413.79	2.92	-68.65
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852711	1	51	0.0	-72.31	414.18	2.70	-69.61
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852711	1	51	0.0	-71.56	420.09	3.21	-68.35
C[N@@H+]1CCCC1CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852716	0	55	0.0	-79.14	434.98	3.41	-75.73
C[N@H+]1CCCC1CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852716	1	55	0.0	-73.91	429.49	2.94	-70.97
C[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024852732	0	52	0.0	-79.67	412.15	2.58	-77.09
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852759	0	52	0.0	-70.89	409.51	2.52	-68.37
C[N@H+]1CCCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852759	1	52	0.0	-71.45	400.16	2.34	-69.11
O=C(CC[NH+]1CCOCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852812	1	53	0.0	-78.58	422.81	0.92	-77.66
CC1=C[NH+]=CN1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852824	1	47	0.0	-73.45	397.27	3.26	-70.19
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024852840	0	53	0.0	-77.86	412.32	2.92	-74.94
C[N@@H+]1CCC(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024852845	0	52	0.0	-78.11	414.01	2.52	-75.59
C[N@H+]1CCC(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024852845	1	52	0.0	-77.19	413.88	2.52	-74.67
CCC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024852851	0	51	0.0	-70.15	398.29	1.86	-68.29
C[NH+](C)CCCCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852898	0	54	0.0	-77.87	432.91	3.06	-74.81
CC(C)C(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024852909	0	54	0.0	-70.08	411.16	2.45	-67.63
CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852910	0	54	0.0	-76.62	429.14	2.87	-73.75
CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852910	1	54	0.0	-76.58	429.17	2.86	-73.72
CCC[N@H+](C)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852913	0	51	0.0	-73.38	406.77	2.33	-71.05
CCC[N@@H+](C)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852913	1	51	0.0	-73.52	406.77	2.33	-71.19
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024852926	0	53	0.0	-82.87	409.47	2.14	-80.73
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024852926	1	53	0.0	-76.24	409.65	2.19	-74.05
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852948	0	49	0.0	-72.16	387.56	1.47	-70.69
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852948	1	49	0.0	-70.21	393.79	1.99	-68.22
CC[NH+](CC)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852975	0	51	0.0	-71.64	403.64	2.28	-69.36
CC1CC[NH+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024853028	0	55	0.0	-74.18	430.11	3.41	-70.77
C[NH+](C)CC1(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024853046	0	52	0.0	-77.34	419.99	2.69	-74.65
C[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024853092	0	52	0.0	-79.67	412.15	2.58	-77.09
CC(C)[C@H](C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024853107	0	54	0.0	-70.04	411.16	2.45	-67.59
CCC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024853134	0	57	0.0	-67.84	430.16	2.92	-64.92
CC[N@H+](C)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853164	0	51	0.0	-75.78	407.65	2.12	-73.66
CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853164	1	51	0.0	-75.83	407.65	2.12	-73.71
CC1CCC[N@@H+]1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853187	0	52	0.0	-70.02	406.22	2.29	-67.73
CC1CCC[N@H+]1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853187	1	52	0.0	-69.91	406.24	2.29	-67.62
CC1CC[N@H+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853188	0	52	0.0	-73.00	413.58	2.65	-70.35
CC1CC[N@@H+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853188	1	52	0.0	-73.05	413.47	2.68	-70.37
CC1(C)CC[N@H+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853190	0	55	0.0	-72.72	432.48	3.18	-69.54
CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853190	1	55	0.0	-72.65	432.65	3.17	-69.48
C[N@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024853191	0	57	0.0	-73.51	435.38	3.33	-70.18
C[N@@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024853191	1	57	0.0	-73.53	437.67	3.49	-70.04
CC[C@@H](C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024853198	0	51	0.0	-71.85	401.33	2.53	-69.32
C[NH+](C)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853270	0	45	0.0	-73.78	367.58	0.91	-72.87
O=C(C[NH+]1CCCCCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853273	0	55	0.0	-72.45	418.46	2.96	-69.49
CN1C=C[N+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024853276	0	47	0.0	-70.93	398.74	4.43	-66.50
C[N@@H+]1CCCC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853280	0	52	0.0	-74.78	412.14	2.54	-72.24
C[N@H+]1CCCC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853280	1	52	0.0	-75.09	412.13	2.53	-72.56
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024853285	0	53	0.0	-77.02	420.44	3.02	-74.00
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024853285	1	53	0.0	-76.85	415.57	3.62	-73.23
CC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024853297	1	49	0.0	-71.86	397.52	1.86	-70.00
CCC(CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024853301	0	57	0.0	-81.94	442.73	3.53	-78.41
C[NH+](C)CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853306	0	54	0.0	-74.43	417.40	2.64	-71.79
O=C(C[NH+]1CCC(O)CC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853317	1	53	0.0	-77.73	420.35	-0.56	-78.29
C[N@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024853318	0	49	0.0	-70.23	396.86	2.32	-67.91
C[N@@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024853318	1	49	0.0	-71.16	396.98	2.32	-68.84
C[NH+]1CC(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853332	0	49	0.0	-74.49	398.99	1.74	-72.75
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853342	0	55	0.0	-70.68	429.04	2.62	-68.06
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853342	1	55	0.0	-70.66	412.84	2.06	-68.60
C[C@@H](C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024853352	0	48	0.0	-72.61	385.65	1.32	-71.29
[N-]=[N+]=NCC(=O)N[C@H]1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024853359	0	39	0.0	-26.75	344.51	-3.48	-30.23
[NH2+]=C1SC=CN1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853401	0	45	0.0	-70.31	394.57	1.10	-69.21
C[N@H+](CCO)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853406	0	52	0.0	-75.35	418.00	-1.09	-76.44
C[N@@H+](CCO)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853406	1	52	0.0	-75.19	417.98	-1.11	-76.30
C[C@@H](C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024853407	0	48	0.0	-72.61	385.65	1.32	-71.29
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853410	0	52	0.0	-70.55	400.19	2.35	-68.20
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853410	1	52	0.0	-69.47	409.52	2.52	-66.95
O=C(C[NH+]1CCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853455	1	46	0.0	-73.89	377.64	1.34	-72.55
C[N@@H+]1CCC(=CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853469	0	50	0.0	-77.97	406.43	2.47	-75.50
C[N@H+]1CCC(=CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853469	1	50	0.0	-77.87	405.44	2.51	-75.36
C[NH+](C)CCOCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853489	0	52	0.0	-73.66	423.44	1.98	-71.68
C=CCC(C)(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024853500	0	55	0.0	-66.98	422.84	2.95	-64.03
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853517	0	53	0.0	-83.65	415.08	-0.80	-84.45
CC1CN(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853534	0	49	0.0	-73.70	398.80	2.06	-71.64
CC1C[NH+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853534	1	49	0.0	-73.70	398.80	2.06	-71.64
CN(CCO)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853551	0	49	0.0	-74.66	395.63	-1.65	-76.31
C[N@H+](CCO)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853551	1	49	0.0	-74.00	395.40	-1.65	-75.65
C[N@@H+](CCO)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853551	1	49	0.0	-74.00	395.40	-1.65	-75.65
CC[N@@H+]1CCCC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853570	0	55	0.0	-73.36	429.81	3.20	-70.16
CC[N@H+]1CCCC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853570	1	55	0.0	-73.36	429.81	3.20	-70.16
CC(CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024853572	0	54	0.0	-80.93	424.63	2.90	-78.03
CC[N@H+](C)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853575	0	48	0.0	-73.24	385.27	1.58	-71.66
CC[N@H+](CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024853599	0	52	0.0	-70.88	413.56	2.93	-67.95
CC[NH+](CC)CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853607	0	54	0.0	-74.99	425.51	2.83	-72.16
CC1(O)CC[N@H+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024853637	0	53	0.0	-72.02	423.56	-0.67	-72.69
C[NH+](C)CC=CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853640	0	49	0.0	-79.70	404.77	2.18	-77.52
COCCN(C)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853653	0	52	0.0	-73.61	417.66	0.75	-72.86
COCC[N@H+](C)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853653	1	52	0.0	-74.90	417.88	0.76	-74.14
COCC[N@@H+](C)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853653	1	52	0.0	-74.90	417.88	0.76	-74.14
C[NH+](C)C1(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024853670	0	55	0.0	-82.12	418.61	3.12	-79.00
CC(CCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024853672	0	54	0.0	-74.36	424.85	2.66	-71.70
CCN1CCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853678	0	49	0.0	-71.15	392.40	1.65	-69.50
CC[N@@H+]1CCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853678	1	49	0.0	-71.86	392.09	1.56	-70.30
CC[N@H+]1CCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853678	1	49	0.0	-71.86	392.09	1.56	-70.30
O=C(C[N@H+]1CCCC1CO)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853688	0	53	0.0	-72.51	417.15	-1.00	-73.51
C[NH+]1CCC(C)(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024853704	0	55	0.0	-74.30	424.79	2.99	-71.31
C=CCC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024853720	0	52	0.0	-69.90	411.27	2.43	-67.47
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853727	0	55	0.0	-69.99	433.21	3.16	-66.83
C[NH+](C)CCCCCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853729	0	57	0.0	-77.22	454.41	3.83	-73.39
CCCC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024853746	0	54	0.0	-72.13	422.58	2.86	-69.27
C[NH+](C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853749	0	51	0.0	-79.71	394.74	2.09	-77.62
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853772	0	52	0.0	-71.45	400.16	2.34	-69.11
C[N@H+]1CC=C(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024853791	0	53	0.0	-69.77	426.71	3.24	-66.53
C[N@@H+]1CC=C(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024853791	1	53	0.0	-69.77	426.71	3.24	-66.53
O=C(C=CC[NH+]1CCCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853821	0	53	0.0	-78.48	429.85	3.34	-75.14
O=C(CC[NH+]1CCCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853848	0	52	0.0	-75.33	415.84	2.64	-72.69
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024853873	0	50	0.0	-79.62	399.91	2.12	-77.50
O=C(C[N@@H+]1CC2CCC1C2)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853878	0	53	0.0	-71.84	413.98	3.01	-68.83
O=C(C[N@H+]1CC2CCC1C2)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853878	1	53	0.0	-71.84	413.98	3.01	-68.83
O=C(CN1CC2C=CC1C2)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853913	0	51	0.0	-69.30	406.40	2.78	-66.52
O=C(C[N@@H+]1CC2C=CC1C2)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853913	1	51	0.0	-69.71	406.90	2.81	-66.90
O=C(C[N@H+]1CC2C=CC1C2)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853913	1	51	0.0	-69.71	406.90	2.81	-66.90
CC(C[NH+](C)C)C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853943	0	51	0.0	-75.48	405.96	2.19	-73.29
C[N@@H+]1CCCCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853982	0	55	0.0	-64.78	419.29	2.98	-61.80
C[N@H+]1CCCCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853982	1	55	0.0	-64.78	419.29	2.98	-61.80
CC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300024853991	0	52	0.0	-71.96	415.41	2.66	-69.30
CC(C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024853991	1	52	0.0	-71.96	415.41	2.66	-69.30
CC1CCN1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853993	0	49	0.0	-71.34	393.33	1.74	-69.60
CC1CC[N@@H+]1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853993	1	49	0.0	-72.77	398.81	1.99	-70.78
CC1CC[N@H+]1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853993	1	49	0.0	-72.77	398.81	1.99	-70.78
C[NH+](C)CC(O)CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853995	0	52	0.0	-80.15	420.12	-0.06	-80.21
CC1CN(C)CC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024854012	0	53	0.0	-88.30	419.34	2.08	-86.22
CC1C[N@H+](C)CC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024854012	1	53	0.0	-86.88	419.38	2.09	-84.79
CC1C[N@@H+](C)CC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024854012	1	53	0.0	-86.88	419.38	2.09	-84.79
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024854050	0	52	0.0	-74.51	417.28	2.64	-71.87
CC(CC[NH+](C)C)C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854054	0	54	0.0	-75.54	427.58	2.81	-72.73
CN1CCN(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024854069	0	54	0.0	-74.51	426.59	0.41	-74.10
C[NH+]1CCN(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024854069	1	54	0.0	-74.51	426.59	0.41	-74.10
C[N@@H+]1CCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854239	0	49	0.0	-70.99	392.24	1.67	-69.32
C[N@H+]1CCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854239	1	49	0.0	-70.48	390.35	1.66	-68.82
C[N@@H+]1CCOC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024854265	1	50	0.0	-80.48	393.46	0.88	-79.60
C[N@H+]1CCOC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024854265	1	50	0.0	-78.84	393.87	0.91	-77.93
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024854413	1	53	0.0	-78.75	422.78	0.87	-77.88
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024854421	0	53	0.0	-68.41	404.07	2.11	-66.30
C[N@@H+]1CCC(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024854444	0	52	0.0	-75.93	414.34	2.44	-73.49
C[N@H+]1CCC(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024854444	1	52	0.0	-76.67	413.99	2.47	-74.20
CCC(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024854450	0	51	0.0	-70.08	391.88	1.63	-68.45
C[NH+](C)CCCCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854482	0	54	0.0	-76.94	432.88	3.00	-73.94
CC(C)C(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024854495	0	54	0.0	-70.49	410.41	2.35	-68.14
CCC[N@H+](C)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854496	0	54	0.0	-76.88	429.14	2.83	-74.05
CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854496	1	54	0.0	-76.83	429.14	2.81	-74.02
CCC[N@H+](C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854499	0	51	0.0	-74.08	406.77	2.22	-71.86
CCC[N@@H+](C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854499	1	51	0.0	-74.18	406.77	2.21	-71.97
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024854512	0	53	0.0	-74.92	401.55	1.68	-73.24
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024854512	1	53	0.0	-77.07	401.80	1.71	-75.36
CC1CC[NH+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024854537	0	55	0.0	-74.56	430.12	3.30	-71.26
C[NH+](C)CC1(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024854574	0	52	0.0	-70.58	415.14	2.36	-68.22
CC[N@H+](C)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854591	0	51	0.0	-76.15	407.65	2.08	-74.07
CC[N@@H+](C)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854591	1	51	0.0	-76.02	407.65	2.07	-73.95
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024854603	0	53	0.0	-82.66	404.94	2.32	-80.34
C[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024854641	0	52	0.0	-74.64	410.59	2.34	-72.30
CC(C)[C@H](C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024854656	0	54	0.0	-70.57	410.63	2.36	-68.21
C[NH+](C)C1(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024854719	0	52	0.0	-78.67	400.70	2.20	-76.47
CCC(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024854746	0	57	0.0	-66.18	429.78	2.93	-63.25
CC1CCC[N@@H+]1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854755	0	52	0.0	-70.72	413.58	2.48	-68.24
CC1CCC[N@H+]1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854755	1	52	0.0	-71.40	412.71	2.59	-68.81
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854782	0	55	0.0	-68.75	424.02	2.69	-66.06
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854782	1	55	0.0	-71.73	417.42	3.02	-68.71
CC(C)[C@@H](C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024854789	0	54	0.0	-74.15	407.57	2.33	-71.82
CC1CC[N@H+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024854799	0	52	0.0	-72.98	413.80	2.47	-70.51
CC1CC[N@@H+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024854799	1	52	0.0	-72.98	412.90	2.51	-70.47
CC1(C)CC[N@H+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024854801	0	55	0.0	-73.45	432.75	3.05	-70.40
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024854801	1	55	0.0	-73.26	432.54	3.08	-70.18
C[N@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024854802	0	57	0.0	-73.74	437.17	3.31	-70.43
C[N@@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024854802	1	57	0.0	-73.99	437.71	3.39	-70.60
CC[C@@H](C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024854809	0	51	0.0	-70.08	391.89	1.63	-68.45
CC1=[NH+]C=CN1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854889	1	47	0.0	-70.46	396.95	2.43	-68.03
CC[N@@H+]1CCOC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024854932	1	53	0.0	-79.36	411.26	1.52	-77.84
CC[N@H+]1CCOC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024854932	1	53	0.0	-77.73	411.67	1.55	-76.18
CC1=C[NH+]=CN1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854952	1	47	0.0	-74.09	397.31	3.17	-70.92
C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024854957	0	52	0.0	-80.29	403.48	1.96	-78.33
C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024854957	1	52	0.0	-77.94	409.44	2.07	-75.87
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024854959	0	55	0.0	-77.05	420.18	2.37	-74.68
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024854959	1	55	0.0	-74.82	424.84	2.81	-72.01
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854964	0	55	0.0	-70.83	426.68	2.85	-67.98
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024854966	0	55	0.0	-75.11	437.34	3.39	-71.72
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024854970	0	55	0.0	-75.45	431.56	3.30	-72.15
CC[N@@H+]1CCCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854973	0	55	0.0	-69.90	414.68	2.56	-67.34
CC[N@H+]1CCCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024854973	1	55	0.0	-72.83	417.78	2.69	-70.14
C[N@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024855053	0	52	0.0	-71.44	413.73	2.79	-68.65
C[N@@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024855053	1	52	0.0	-72.25	413.70	2.79	-69.46
C[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024855077	0	52	0.0	-74.64	410.59	2.34	-72.30
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855099	0	49	0.0	-72.19	386.72	1.36	-70.83
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855099	1	49	0.0	-70.47	389.03	1.59	-68.88
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855116	1	51	0.0	-71.31	412.68	2.56	-68.75
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855116	1	51	0.0	-66.85	419.36	2.96	-63.89
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855121	0	55	0.0	-78.92	434.93	3.37	-75.55
C[N@H+]1CCCC1CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855121	1	55	0.0	-73.99	429.48	2.89	-71.10
C[N@@H+]1CCCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855184	0	52	0.0	-70.62	407.94	2.40	-68.22
C[N@H+]1CCCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855184	1	52	0.0	-68.28	406.85	2.35	-65.93
CC1C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024855233	0	52	0.0	-74.97	413.45	2.19	-72.78
CC1C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024855233	1	52	0.0	-74.55	409.58	2.15	-72.40
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855283	0	55	0.0	-72.42	407.75	1.93	-70.49
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855283	1	55	0.0	-70.98	428.47	2.50	-68.48
C[C@@H](C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024855296	0	48	0.0	-72.21	383.50	1.18	-71.03
C=CCC(C)(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024855308	0	55	0.0	-66.62	413.82	2.38	-64.24
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024855320	0	52	0.0	-75.79	414.85	2.51	-73.28
C[N@H+](CCO)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855328	1	49	0.0	-75.17	395.62	-1.76	-76.93
C[N@@H+](CCO)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855328	1	49	0.0	-74.18	395.38	-1.76	-75.94
C[N@H+]1CC=C(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024855374	0	53	0.0	-73.70	426.69	3.19	-70.51
C[N@@H+]1CC=C(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024855374	1	53	0.0	-71.21	426.71	3.18	-68.03
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855392	0	53	0.0	-75.66	408.29	-1.42	-77.08
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855392	1	53	0.0	-72.18	409.42	-1.68	-73.86
CC1C[NH+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024855418	1	49	0.0	-75.01	397.66	1.97	-73.04
CC[N@@H+]1CCCC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024855424	0	55	0.0	-76.80	429.58	3.01	-73.79
CC[N@H+]1CCCC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024855424	1	55	0.0	-67.82	420.24	3.07	-64.75
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024855435	0	53	0.0	-74.49	419.47	2.74	-71.75
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024855435	1	53	0.0	-69.17	416.45	2.67	-66.50
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024855456	0	53	0.0	-80.77	427.50	3.16	-77.61
CC[N@H+](C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855493	0	48	0.0	-73.82	385.27	1.47	-72.35
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CN2CC3C=CC2C3)C1	REAL300024855522	0	51	0.0	-69.72	406.53	2.70	-67.02
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024855522	1	51	0.0	-72.16	406.77	2.78	-69.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024855522	1	51	0.0	-72.16	406.77	2.78	-69.38
COCCN(C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855597	0	52	0.0	-73.82	417.63	0.64	-73.18
COCC[N@H+](C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855597	1	52	0.0	-75.47	417.91	0.65	-74.82
COCC[N@@H+](C)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855597	1	52	0.0	-75.47	417.91	0.65	-74.82
CC(CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024855600	0	54	0.0	-79.67	421.20	2.60	-77.07
CC[N@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024855613	0	52	0.0	-70.94	413.92	2.84	-68.10
C[N@@H+]1CC2CC1(C(=O)N1CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024855638	0	50	0.0	-75.98	394.22	1.73	-74.25
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024855645	0	53	0.0	-71.33	411.51	2.70	-68.63
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024855645	1	53	0.0	-71.33	411.51	2.70	-68.63
CC(C[NH+](C)C)C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855658	0	51	0.0	-70.77	405.55	1.92	-68.85
CCN1CCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855686	0	49	0.0	-73.40	398.19	1.72	-71.68
CC[N@@H+]1CCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855686	1	49	0.0	-73.59	398.65	1.74	-71.85
CC[N@H+]1CCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855686	1	49	0.0	-73.59	398.65	1.74	-71.85
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855692	0	57	0.0	-69.54	429.40	1.14	-68.40
CCCC(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024855722	0	54	0.0	-70.14	416.96	2.51	-67.63
C[NH+](C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855726	0	51	0.0	-71.97	387.35	1.34	-70.63
CC(CC[NH+](C)C)C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855739	0	54	0.0	-79.85	425.90	2.54	-77.31
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855787	0	55	0.0	-73.22	426.50	2.42	-70.80
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855787	1	55	0.0	-73.22	426.50	2.42	-70.80
C[NH+](C)CCCCCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855789	0	57	0.0	-75.96	454.38	3.78	-72.18
CN1CCN(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024855796	0	54	0.0	-76.06	426.53	0.30	-75.76
C[NH+]1CCN(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024855796	1	54	0.0	-76.06	426.53	0.30	-75.76
CC1CN(C)CC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024855837	0	53	0.0	-85.04	415.38	1.42	-83.62
CC1C[N@H+](C)CC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024855837	1	53	0.0	-83.96	422.49	1.83	-82.13
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024855837	1	53	0.0	-83.96	422.49	1.83	-82.13
C[N@@H+]1CCCCC1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024855881	0	52	0.0	-68.28	406.85	2.35	-65.93
C[N@@H+]1CCC(=CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024855939	0	50	0.0	-79.65	404.24	2.43	-77.22
C[N@H+]1CCC(=CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024855939	1	50	0.0	-79.65	404.24	2.43	-77.22
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024855941	0	48	0.0	-77.03	403.34	0.07	-76.96
C[NH+](C)C1(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024855991	0	55	0.0	-66.84	407.14	1.88	-64.96
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856007	0	49	0.0	-73.55	385.96	1.35	-72.20
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024856085	0	52	0.0	-76.55	416.65	2.57	-73.98
C[NH+](C)CCC1(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024856093	0	55	0.0	-72.60	439.12	3.20	-69.40
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856094	0	53	0.0	-66.19	413.74	2.87	-63.32
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856094	1	53	0.0	-66.19	413.74	2.87	-63.32
C[NH+](C)CCOCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856122	0	52	0.0	-75.24	423.39	1.93	-73.31
[NH2+]=C1SC=CN1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856146	0	45	0.0	-70.71	394.64	0.99	-69.72
C[N@@H+]1CCCC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024856202	0	52	0.0	-67.26	402.40	2.46	-64.80
C[N@H+]1CCCC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024856202	1	52	0.0	-67.26	402.40	2.46	-64.80
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024856203	0	55	0.0	-72.94	418.63	2.86	-70.08
CN1C=C[N+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024856206	0	47	0.0	-71.52	398.78	4.33	-67.19
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CN2CCC(O)CC2)C1	REAL300024856225	0	53	0.0	-78.95	420.67	-0.67	-79.62
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024856225	1	53	0.0	-78.95	420.67	-0.67	-79.62
C[N@H+](CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024856226	0	49	0.0	-71.74	396.95	2.22	-69.52
CC(CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024856244	0	54	0.0	-75.88	424.56	2.88	-73.00
CN1CCOCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856261	0	53	0.0	-71.79	410.71	0.54	-71.25
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856261	1	53	0.0	-81.35	418.05	0.67	-80.68
C[N@H+]1CCOCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856261	1	53	0.0	-81.35	418.05	0.67	-80.68
CC1(O)CC[N@H+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024856322	0	53	0.0	-74.86	423.94	-0.77	-75.63
C[NH+]1CC(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024856343	0	49	0.0	-75.92	398.99	1.69	-74.23
C[N@H+](CCO)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856366	0	52	0.0	-75.62	417.98	-1.16	-76.78
C[N@@H+](CCO)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856366	1	52	0.0	-75.62	417.98	-1.16	-76.78
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856381	0	55	0.0	-77.54	426.70	3.06	-74.48
C[N@H+]1CCCCC1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856381	1	55	0.0	-77.54	426.70	3.06	-74.48
CC1CCN1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856393	0	49	0.0	-72.54	398.83	1.88	-70.66
CC1CC[N@@H+]1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856393	1	49	0.0	-71.85	393.27	1.64	-70.21
CC1CC[N@H+]1CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856393	1	49	0.0	-71.85	393.27	1.64	-70.21
C[NH+](C)CC=CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856399	0	49	0.0	-81.48	403.67	2.07	-79.41
CC1(C)CN(CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024856404	0	52	0.0	-74.43	418.06	2.44	-71.99
CC1(C)C[NH+](CC(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024856404	1	52	0.0	-74.43	418.06	2.44	-71.99
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024856438	0	53	0.0	-72.98	417.16	-1.10	-74.08
CC[NH+](CC)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856440	0	51	0.0	-71.82	403.54	2.17	-69.65
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CN2CCC2)C1	REAL300024856449	0	46	0.0	-74.19	377.65	1.23	-72.96
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024856449	1	46	0.0	-74.19	377.65	1.23	-72.96
CC[NH+](CC)CCC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856477	0	54	0.0	-75.64	420.99	2.49	-73.15
CC(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300024856527	0	49	0.0	-71.16	396.40	1.77	-69.39
CC(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024856527	1	49	0.0	-71.16	396.40	1.77	-69.39
CCC(CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024856532	0	57	0.0	-79.06	443.20	3.50	-75.56
C[NH+](C)CC(C)(C)C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856537	0	54	0.0	-75.02	408.55	1.97	-73.05
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856566	0	52	0.0	-68.29	406.85	2.35	-65.94
C[NH+](C)CC(O)CC(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856585	0	52	0.0	-79.72	420.12	-0.12	-79.84
C=CCC(C(=O)N1CCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024856605	0	52	0.0	-71.55	411.40	2.36	-69.19
C[NH+]1CCC(C)(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024856616	0	55	0.0	-69.71	415.20	2.29	-67.42
NC(=[NH2+])SCC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856637	0	43	0.0	-77.12	376.11	-2.22	-79.34
C[NH+](C)CCC1(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024856660	0	55	0.0	-78.26	442.15	3.46	-74.80
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856661	0	53	0.0	-78.81	418.80	2.98	-75.83
C[N@H+]1CC=CCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856661	1	53	0.0	-78.81	418.80	2.98	-75.83
CCC1C[NH+](CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024856742	1	52	0.0	-74.59	420.21	2.78	-71.81
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856747	1	49	0.0	-73.93	387.53	1.47	-72.46
O=C(C[NH+]1CCCCC1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856764	0	52	0.0	-73.48	409.65	2.80	-70.68
CC1C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024856769	0	52	0.0	-75.67	407.71	2.03	-73.64
CC1C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024856769	1	52	0.0	-72.57	408.75	2.12	-70.45
CN1CCOCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856797	0	53	0.0	-82.02	418.18	0.74	-81.28
C[N@@H+]1CCOCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856797	1	53	0.0	-70.19	410.68	0.59	-69.60
C[N@H+]1CCOCC1CC(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024856797	1	53	0.0	-82.02	418.18	0.74	-81.28
CCOCC(N=[N+]=[N-])C(=O)N[C@H]1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024856804	0	49	0.0	-26.57	420.73	-2.80	-29.37
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857005	1	43	0.0	-74.46	358.00	-0.04	-74.50
CN1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024857029	0	44	0.0	-75.41	375.46	-0.24	-75.65
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024857029	1	44	0.0	-78.67	368.26	-0.31	-78.98
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024857029	1	44	0.0	-75.41	375.46	-0.24	-75.65
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857204	1	50	0.0	-63.42	423.47	2.56	-60.86
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024857211	0	52	0.0	-72.19	409.10	2.19	-70.00
CC(C)[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857213	0	52	0.0	-69.15	411.24	1.94	-67.21
CC(C)[N@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857213	1	52	0.0	-69.56	404.94	1.98	-67.58
CC(C)[N@@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857239	0	49	0.0	-73.02	390.84	1.59	-71.43
CC(C)[N@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857239	1	49	0.0	-63.54	396.87	1.44	-62.10
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024857263	0	50	0.0	-75.81	405.49	2.16	-73.65
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024857263	1	50	0.0	-77.14	405.50	2.11	-75.03
CC(C)C1=[NH+]C=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857291	1	47	0.0	-70.26	403.65	2.14	-68.12
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857339	1	41	0.0	-65.05	367.51	0.93	-64.12
CC(C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857341	0	50	0.0	-77.05	409.32	0.14	-76.91
O=C(CCC[NH+]1CCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857361	0	52	0.0	-75.41	423.05	2.60	-72.81
CC(C)(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024857385	0	52	0.0	-74.51	407.38	2.37	-72.14
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024857401	0	47	0.0	-80.11	379.23	1.21	-78.90
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024857452	0	50	0.0	-68.25	402.39	2.25	-66.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024857452	1	50	0.0	-68.42	402.52	2.25	-66.17
C[NH+](C)CCN1C=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=N1	REAL300024857454	0	49	0.0	-81.01	422.32	0.89	-80.12
C[NH+](C)CCN1C=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024857464	0	49	0.0	-84.77	422.69	0.92	-83.85
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024857470	0	46	0.0	-69.68	375.66	0.52	-69.16
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024857470	1	46	0.0	-75.41	380.14	0.83	-74.58
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857473	1	50	0.0	-69.64	423.97	2.61	-67.03
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024857476	0	49	0.0	-69.39	395.03	1.01	-68.38
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024857476	1	49	0.0	-68.90	400.26	1.34	-67.56
CC[N@@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024857499	1	47	0.0	-83.90	393.20	0.49	-83.41
CC[N@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024857499	1	47	0.0	-77.71	386.06	0.32	-77.39
CC[NH+](CC)CC(F)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857552	0	48	0.0	-77.11	395.14	1.03	-76.08
C[NH+](C)CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)SC=C1	REAL300024857553	0	46	0.0	-65.96	403.79	2.00	-63.96
CC1CCC(C)[NH+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857648	0	49	0.0	-71.42	395.04	1.29	-70.13
O=C(CCC[NH+]1CCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857654	0	49	0.0	-75.03	407.84	1.94	-73.09
C[NH+](C)CC1=CC=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024857655	0	49	0.0	-76.41	416.21	2.80	-73.61
C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024857662	0	48	0.0	-80.95	407.76	2.28	-78.67
O=C(CC[NH+]1CCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857663	0	49	0.0	-75.98	401.55	1.81	-74.17
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857667	0	49	0.0	-65.21	409.09	3.16	-62.05
CC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857674	0	49	0.0	-64.70	397.85	1.57	-63.13
CC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857674	1	49	0.0	-71.10	397.83	1.57	-69.53
CC(C)C(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024857675	0	55	0.0	-71.21	427.40	3.47	-67.74
C[NH+](C)C(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CC=C1	REAL300024857678	1	49	0.0	-73.04	412.70	2.89	-70.15
CC(C)C[N@@H+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024857698	0	52	0.0	-74.80	423.10	2.37	-72.43
CC(C)C[N@H+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024857698	1	52	0.0	-74.33	422.40	2.38	-71.95
C[NH+](C)C1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024857702	0	46	0.0	-64.67	371.48	0.93	-63.74
C[NH+](C)C(CN1C=CC=N1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857703	1	49	0.0	-67.37	410.58	0.66	-66.71
CC(C)[N@@H+]1CCCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857708	0	52	0.0	-68.00	407.27	1.86	-66.14
CC(C)[N@H+]1CCCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857708	1	52	0.0	-61.80	408.53	1.42	-60.38
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300024857709	0	53	0.0	-71.16	425.21	3.02	-68.14
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300024857709	1	53	0.0	-74.45	413.81	2.67	-71.78
CC(C)[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024857728	0	48	0.0	-67.47	387.37	1.54	-65.93
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024857784	0	46	0.0	-73.24	384.23	1.39	-71.85
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024857784	1	46	0.0	-73.73	384.12	1.39	-72.34
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024857859	0	52	0.0	-69.15	408.66	1.78	-67.37
CN(CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=[NH+]C=C1	REAL300024857923	0	48	0.0	-72.28	412.74	1.07	-71.21
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857933	1	45	0.0	-73.05	384.61	1.18	-71.87
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857933	1	45	0.0	-73.65	389.33	1.68	-71.97
C[N@@H+]1CCCC1CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857941	0	49	0.0	-68.69	405.42	1.90	-66.79
C[N@H+]1CCCC1CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857941	1	49	0.0	-73.87	399.99	1.36	-72.51
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024857953	0	50	0.0	-69.44	395.47	1.51	-67.93
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024857960	0	50	0.0	-71.73	398.66	1.88	-69.85
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024857960	1	50	0.0	-71.77	398.88	1.89	-69.88
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857968	0	53	0.0	-72.79	418.84	0.40	-72.39
O=C(CCCC[NH+]1CCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857987	0	52	0.0	-75.24	429.33	2.72	-72.52
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC1=CC=CC=C1	REAL300024857989	1	49	0.0	-80.40	414.66	3.00	-77.40
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC1=CC=CC=C1	REAL300024857989	1	49	0.0	-80.45	414.67	3.00	-77.45
C[NH+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024858004	0	46	0.0	-78.68	382.59	1.07	-77.61
C[NH+](C)CC1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024858058	1	45	0.0	-80.38	396.10	0.36	-80.02
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=CC2=C[NH+]=CN21	REAL300024858059	0	44	0.0	-70.35	390.39	3.06	-67.29
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858094	0	46	0.0	-71.90	380.02	0.93	-70.97
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858094	1	46	0.0	-66.18	370.70	0.83	-65.35
CC(C)C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858121	0	52	0.0	-73.01	408.61	2.47	-70.54
CC(C)C[N@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858121	1	52	0.0	-66.00	417.03	1.96	-64.04
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024858251	0	41	0.0	-74.82	368.17	2.91	-71.91
CC1=[NH+]C=CN1CCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858261	1	47	0.0	-66.79	409.03	2.32	-64.47
O=C(CCCC[NH+]1CCOCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858265	1	53	0.0	-78.70	436.27	1.01	-77.69
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024858271	0	49	0.0	-81.83	416.20	2.88	-78.95
O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858272	1	47	0.0	-79.38	393.27	-0.58	-79.96
CCC[NH+](CCC)CCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858294	0	57	0.0	-75.87	456.08	3.33	-72.54
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858312	1	41	0.0	-74.52	366.71	1.71	-72.81
O=C(CN1C=[NH+]C2=C1CCCC2)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858319	1	48	0.0	-73.89	409.60	3.48	-70.41
C[NH+](C)CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCCC1	REAL300024858360	0	55	0.0	-72.84	422.72	3.06	-69.78
C[N@H+](CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCCCC1	REAL300024858366	0	55	0.0	-77.69	436.45	2.91	-74.78
C[N@@H+](CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCCCC1	REAL300024858366	1	55	0.0	-70.37	436.47	3.00	-67.37
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024858368	0	47	0.0	-63.44	382.73	1.31	-62.13
C[NH+](C)C1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024858405	0	52	0.0	-66.52	410.35	2.06	-64.46
C[N@@H+]1CCC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024858408	0	46	0.0	-70.75	384.61	0.93	-69.82
C[N@H+]1CCC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024858408	1	46	0.0	-76.91	384.32	1.00	-75.91
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858420	0	45	0.0	-70.51	388.79	0.12	-70.39
CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024858425	0	45	0.0	-72.62	368.52	0.39	-72.23
C[NH+](C)C1(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024858442	0	52	0.0	-77.86	402.22	1.87	-75.99
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024858497	1	41	0.0	-79.11	368.44	2.92	-76.19
C[NH+](C)CCCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858566	0	48	0.0	-76.52	403.36	1.54	-74.98
CC(C)C(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024858587	0	48	0.0	-72.56	385.34	1.64	-70.92
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858589	0	48	0.0	-77.43	399.63	1.28	-76.15
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858589	1	48	0.0	-77.14	399.60	1.37	-75.77
CCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858595	0	45	0.0	-75.59	377.23	0.82	-74.77
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858595	1	45	0.0	-75.58	377.24	0.81	-74.77
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024858622	0	47	0.0	-71.42	380.00	0.54	-70.88
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024858622	1	47	0.0	-69.27	379.65	0.54	-68.73
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858672	0	43	0.0	-74.62	358.05	-0.13	-74.75
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858672	1	43	0.0	-65.32	364.35	0.39	-64.93
CC1CC2CCC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C[N@@H+]2C1	REAL300024858696	0	53	0.0	-72.51	425.84	2.76	-69.75
CC1CC2CCC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C[N@H+]2C1	REAL300024858696	1	53	0.0	-62.24	420.26	2.98	-59.26
CCCCCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858741	0	54	0.0	-76.93	441.73	3.15	-73.78
CCCCCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858741	1	54	0.0	-76.93	441.72	3.16	-73.77
CC[NH+](CC)C(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024858748	0	54	0.0	-69.24	408.93	1.57	-67.67
CC[NH+](CC)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858757	0	45	0.0	-73.61	374.11	0.77	-72.84
CCC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024858790	0	52	0.0	-74.18	421.73	2.43	-71.75
CCC[N@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024858790	1	52	0.0	-74.17	421.77	2.43	-71.74
CC(C)[N@@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024858811	1	50	0.0	-68.94	402.89	0.74	-68.20
CC(C)[N@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024858811	1	50	0.0	-65.04	402.91	0.77	-64.27
CC1CC[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024858847	0	49	0.0	-68.83	401.02	1.90	-66.93
C[NH+]1CCC(OCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024858881	0	50	0.0	-74.25	418.01	1.49	-72.76
C[NH+](C)CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024858896	0	46	0.0	-76.71	388.74	1.04	-75.67
CC1=[NH+]C=C2CCC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CN21	REAL300024858897	1	48	0.0	-69.05	405.62	2.15	-66.90
CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024858987	0	52	0.0	-75.79	413.23	2.02	-73.77
C[NH+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859011	0	46	0.0	-78.68	382.59	1.07	-77.61
CC(C)[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024859032	0	48	0.0	-73.39	387.52	1.54	-71.85
CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024859066	0	51	0.0	-69.28	400.60	1.43	-67.85
CC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859140	0	45	0.0	-69.62	378.15	0.62	-69.00
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859140	1	45	0.0	-76.34	378.10	0.63	-75.71
CC[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024860170	0	46	0.0	-65.60	386.65	1.43	-64.17
CC[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024860170	1	46	0.0	-71.71	382.89	1.16	-70.55
CC[NH+](CC)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860194	0	48	0.0	-75.48	395.95	1.33	-74.15
C[NH+]1CCC(=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024860211	0	47	0.0	-74.34	391.56	1.68	-72.66
CC1(C)C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860224	1	46	0.0	-75.79	388.42	0.98	-74.81
O=C(CCCC[NH+]1CCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860230	0	55	0.0	-75.45	444.55	3.39	-72.06
CC1(O)CC[N@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860261	0	47	0.0	-75.92	394.38	-2.19	-78.11
CC1(O)CC[N@@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860261	1	47	0.0	-76.24	394.59	-2.25	-78.49
C[NH+](C)CC=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860271	0	43	0.0	-78.51	375.23	0.66	-77.85
CC(OCC[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860295	0	49	0.0	-66.72	413.70	1.06	-65.66
C[NH+](C)CCOCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860306	0	49	0.0	-74.60	414.81	0.21	-74.39
COCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860307	1	46	0.0	-75.53	388.13	-0.76	-76.29
COCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860307	1	46	0.0	-76.40	388.34	-0.76	-77.16
C[NH+](C)C1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024860359	0	49	0.0	-79.98	389.23	1.51	-78.47
CC(CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024860362	0	48	0.0	-74.33	395.28	1.13	-73.20
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860372	1	43	0.0	-73.07	362.80	0.13	-72.94
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860372	1	43	0.0	-73.61	361.15	-0.05	-73.66
CC(C)[N@@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860383	0	52	0.0	-62.28	410.72	2.31	-59.97
CC(C)[N@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860383	1	52	0.0	-66.17	416.92	2.20	-63.97
O=C(C[N@H+]1CCCC1CO)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860397	0	47	0.0	-74.52	392.81	-2.04	-76.56
O=C(C[N@@H+]1CCCC1CO)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860397	1	47	0.0	-74.76	391.17	-1.98	-76.74
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024860423	0	50	0.0	-75.81	405.49	2.16	-73.65
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024860423	1	50	0.0	-77.14	405.50	2.11	-75.03
C[NH+]1CCC(C)(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024860430	0	49	0.0	-73.46	395.30	1.40	-72.06
C[NH+](C)CC1=CNC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024860436	0	47	0.0	-70.97	404.46	0.65	-70.32
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024860454	0	50	0.0	-77.06	408.89	-1.68	-78.74
C=CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024860467	0	46	0.0	-72.76	381.72	0.92	-71.84
C[N@@H+]1CC(C)(C)CC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860485	0	49	0.0	-65.97	403.92	1.47	-64.50
C[N@H+]1CC(C)(C)CC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860485	1	49	0.0	-66.87	403.76	1.62	-65.25
C[NH+](C)CCCCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860489	0	51	0.0	-75.52	424.86	2.33	-73.19
O=C(C[NH+]1CC2CC2C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860499	0	44	0.0	-75.84	373.35	1.28	-74.56
CC1C[N@@H+]2CCN1C(C(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024860533	0	49	0.0	-73.71	383.82	-0.97	-74.68
CC1C[N@H+]2CCN1C(C(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024860533	1	49	0.0	-81.60	390.80	-1.54	-83.14
CCCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024860534	0	48	0.0	-73.42	390.04	1.16	-72.26
C[NH+](C)C(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860539	0	45	0.0	-78.10	365.85	0.41	-77.69
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860586	0	46	0.0	-71.90	380.02	0.93	-70.97
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860586	1	46	0.0	-66.18	370.70	0.83	-65.35
[N-]=[N+]=NCC(F)(F)CCC(=O)NC1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024860598	0	42	0.0	-22.02	389.96	-2.70	-24.72
C[N@H+]1CC=C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024860634	0	47	0.0	-73.08	397.20	1.66	-71.42
C[N@@H+]1CC=C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024860634	1	47	0.0	-71.24	397.14	1.73	-69.51
O=C(CC1([NH+]2CCCC2)CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860643	0	50	0.0	-72.05	403.16	2.06	-69.99
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860695	0	55	0.0	-76.43	420.36	2.09	-74.34
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860695	1	55	0.0	-76.43	420.36	2.09	-74.34
CN(C)CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024860700	0	46	0.0	-80.49	401.49	1.11	-79.38
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024860700	1	46	0.0	-80.49	401.49	1.11	-79.38
O=C(C=CC[NH+]1CCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860721	0	47	0.0	-77.30	398.56	1.68	-75.62
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024860746	0	50	0.0	-75.97	411.85	2.48	-73.49
O=C(CC[NH+]1CCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860770	0	46	0.0	-69.09	386.38	1.14	-67.95
C[N@@H+]1CC2CC1(C(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024860824	0	44	0.0	-66.72	368.23	0.67	-66.05
O=C(C[N@@H+]1CC2CCC1C2)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860838	0	47	0.0	-72.85	381.92	1.30	-71.55
O=C(C[N@H+]1CC2CCC1C2)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860838	1	47	0.0	-72.85	381.92	1.30	-71.55
CC(C)[NH+]1CCC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024860849	0	55	0.0	-71.70	431.90	2.64	-69.06
O=C(C=C1C[NH+]2CCC1CC2)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860897	0	48	0.0	-70.00	394.14	1.79	-68.21
O=C(CN1CC2C=CC1C2)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860908	0	45	0.0	-66.77	377.49	1.38	-65.39
O=C(C[N@@H+]1CC2C=CC1C2)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860908	1	45	0.0	-74.08	377.40	1.29	-72.79
O=C(C[N@H+]1CC2C=CC1C2)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860908	1	45	0.0	-74.08	377.40	1.29	-72.79
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860970	0	45	0.0	-68.92	376.45	0.58	-68.34
C[N@@H+]1CCCCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861062	0	49	0.0	-77.57	397.30	1.52	-76.05
C[N@H+]1CCCCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861062	1	49	0.0	-77.57	397.30	1.52	-76.05
CC1=C2C=C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C=CN2C=N1	REAL300024861083	0	44	0.0	-77.23	390.36	3.48	-73.75
CC1=C2C=C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C=CN2C=[NH+]1	REAL300024861083	1	44	0.0	-77.23	390.36	3.48	-73.75
CC1CCN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861088	0	43	0.0	-73.17	363.80	0.23	-72.94
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861088	1	43	0.0	-74.47	369.39	0.40	-74.07
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861088	1	43	0.0	-74.47	369.39	0.40	-74.07
C[NH+](C)CC(O)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861093	0	46	0.0	-79.39	390.48	-1.57	-80.96
CC1CN(C)CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024861126	0	47	0.0	-67.39	389.55	0.33	-67.06
CC1C[N@H+](C)CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024861126	1	47	0.0	-79.22	389.44	0.41	-78.81
CC1C[N@@H+](C)CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024861126	1	47	0.0	-79.22	389.44	0.41	-78.81
O=C(CC[NH+]1CCC(O)CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861137	0	50	0.0	-79.76	412.64	-1.54	-81.30
CCC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861140	0	52	0.0	-72.09	409.86	2.23	-69.86
CCC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861140	1	52	0.0	-72.09	409.86	2.23	-69.86
CC[NH+]1CCN(CCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024861145	0	54	0.0	-77.67	436.65	-0.03	-77.70
CCN1CC[NH+](CCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024861145	1	54	0.0	-77.67	436.65	-0.03	-77.70
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300024861148	0	53	0.0	-67.57	412.66	2.89	-64.68
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300024861148	1	53	0.0	-67.57	412.66	2.89	-64.68
CC(C)C[NH+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024861191	0	55	0.0	-78.00	439.04	3.16	-74.84
C[NH+](C)C1CCN(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024861216	0	54	0.0	-73.73	431.39	0.03	-73.70
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024861236	0	46	0.0	-74.73	387.68	1.14	-73.59
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861244	0	48	0.0	-69.99	398.08	1.19	-68.80
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024861273	0	50	0.0	-71.19	408.53	-1.28	-72.47
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024861273	1	50	0.0	-67.63	409.07	-1.46	-69.09
C#CC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861282	1	48	0.0	-72.23	405.25	2.20	-70.03
C#CC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861282	1	48	0.0	-72.66	395.88	2.02	-70.64
C[NH+]1CCN(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024861287	1	48	0.0	-74.60	397.41	-1.08	-75.68
CC[NH+]1CCN(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024861297	0	51	0.0	-73.15	414.81	-0.50	-73.65
C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861474	0	43	0.0	-68.94	357.10	-0.12	-69.06
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861474	1	43	0.0	-66.86	361.52	0.34	-66.52
C[N@@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024861500	1	44	0.0	-67.92	363.82	-0.49	-68.41
C[N@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024861500	1	44	0.0	-79.10	373.21	-0.34	-79.44
CC1=[NH+]C=CN1CCCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861664	1	47	0.0	-68.56	409.03	2.23	-66.33
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300024861668	1	53	0.0	-75.04	436.27	0.98	-74.06
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024861674	0	49	0.0	-78.59	411.92	2.42	-76.17
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024861675	1	47	0.0	-74.08	393.32	-0.67	-74.75
CCC[NH+](CCC)CCCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861697	0	57	0.0	-71.42	460.56	3.60	-67.82
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024861712	0	47	0.0	-70.42	372.43	0.93	-69.49
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024861728	1	41	0.0	-75.82	363.94	2.45	-73.37
C[NH+](C)C1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024861797	0	52	0.0	-68.46	414.59	1.93	-66.53
C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024861800	0	46	0.0	-70.55	384.85	0.95	-69.60
C[N@H+]1CCC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024861800	1	46	0.0	-73.36	384.29	0.99	-72.37
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861812	0	45	0.0	-75.98	386.83	-0.44	-76.42
CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024861817	0	45	0.0	-68.66	371.02	0.48	-68.18
CC1CC2CCC(C(=O)N3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C[N@@H+]2C1	REAL300024861870	0	53	0.0	-68.03	423.72	2.44	-65.59
CC1CC2CCC(C(=O)N3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C[N@H+]2C1	REAL300024861870	1	53	0.0	-67.38	426.90	2.57	-64.81
C[NH+](C)CCCCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861897	0	48	0.0	-73.49	403.42	1.45	-72.04
CC(C)C(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024861920	0	48	0.0	-66.19	382.18	0.91	-65.28
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861922	0	48	0.0	-69.76	399.65	1.37	-68.39
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861922	1	48	0.0	-69.93	399.65	1.37	-68.56
CCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861928	0	45	0.0	-69.33	377.28	0.73	-68.60
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861928	1	45	0.0	-69.44	377.29	0.72	-68.72
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024861955	0	47	0.0	-82.12	372.90	0.20	-81.92
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024861955	1	47	0.0	-68.89	374.31	0.32	-68.57
CCCCCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861998	0	54	0.0	-70.34	441.73	3.14	-67.20
CCCCCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024861998	1	54	0.0	-70.23	441.73	3.13	-67.10
CC[NH+](CC)C(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024862005	0	54	0.0	-65.41	416.01	2.35	-63.06
CC1CC[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024862043	0	49	0.0	-67.38	400.64	1.87	-65.51
C[NH+]1CCC(OCC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024862077	0	50	0.0	-76.94	417.92	1.53	-75.41
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024862140	0	50	0.0	-72.23	405.08	1.98	-70.25
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024862140	1	50	0.0	-68.92	405.29	1.97	-66.95
C[NH+](C)CC1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024862152	0	46	0.0	-75.17	377.75	0.88	-74.29
CC1=[NH+]C=C2CCC(C(=O)N3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)CN21	REAL300024862153	1	48	0.0	-68.82	406.98	2.00	-66.82
CC(C)[NH+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024862165	0	52	0.0	-71.74	414.32	2.01	-69.73
CC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862194	0	45	0.0	-71.55	378.15	0.54	-71.01
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862194	1	45	0.0	-69.23	378.15	0.62	-68.61
CC(C)(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024862225	0	52	0.0	-68.01	402.86	2.27	-65.74
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024862241	0	47	0.0	-75.94	377.89	1.08	-74.86
C[NH+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024862326	0	46	0.0	-74.58	380.00	0.82	-73.76
CC(C)[C@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024862347	0	48	0.0	-69.17	382.67	1.09	-68.08
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300024862424	0	53	0.0	-75.12	431.33	2.99	-72.13
CC[NH+](CC)CC(F)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862465	0	48	0.0	-72.01	400.80	1.28	-70.73
C[NH+](C)CC1=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)SC=C1	REAL300024862466	0	46	0.0	-64.40	399.37	1.68	-62.72
CC(C)C[N@@H+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024862505	0	52	0.0	-67.25	419.41	2.19	-65.06
CC(C)C[N@H+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024862505	1	52	0.0	-68.83	420.70	2.11	-66.72
C[NH+](C)C1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024862509	0	46	0.0	-71.63	368.08	0.61	-71.02
CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024862543	0	51	0.0	-64.15	402.15	1.57	-62.58
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862566	0	46	0.0	-66.03	376.69	0.66	-65.37
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862566	1	46	0.0	-64.31	376.75	0.67	-63.64
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862646	1	50	0.0	-62.86	423.51	2.55	-60.31
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024862653	0	52	0.0	-65.82	408.11	1.78	-64.04
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862655	0	52	0.0	-62.22	402.71	1.63	-60.59
CC(C)[N@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862655	1	52	0.0	-63.89	402.38	1.68	-62.21
CC(C)[N@@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862681	0	49	0.0	-65.57	389.18	1.66	-63.91
CC(C)[N@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862681	1	49	0.0	-63.31	384.75	2.06	-61.25
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862686	1	49	0.0	-66.13	409.78	0.54	-65.59
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862691	0	52	0.0	-60.23	407.36	1.85	-58.38
CC(C)[N@H+]1CCCC1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024862691	1	52	0.0	-68.39	417.38	1.94	-66.45
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300024862692	0	53	0.0	-68.21	414.37	3.06	-65.15
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300024862692	1	53	0.0	-66.68	415.85	3.14	-63.54
CC(C)[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024862711	0	48	0.0	-67.12	380.61	1.23	-65.89
CC1CC[N@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024862735	0	46	0.0	-68.24	384.21	0.96	-67.28
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024862735	1	46	0.0	-67.94	383.34	1.06	-66.88
CC1=[NH+]C=C2CC(C(=O)N3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)CCN21	REAL300024862737	1	48	0.0	-68.72	404.26	1.86	-66.86
CC1(C)CC[N@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024862740	0	49	0.0	-66.72	402.94	1.54	-65.18
CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024862740	1	49	0.0	-68.14	403.56	1.63	-66.51
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024862741	0	51	0.0	-68.83	405.84	1.77	-67.06
C[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024862741	1	51	0.0	-68.50	407.78	1.94	-66.56
CC[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024862752	0	45	0.0	-67.09	370.22	0.48	-66.61
CC(COCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCC1	REAL300024862760	0	53	0.0	-69.68	436.69	2.11	-67.57
CN(CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=[NH+]C=C1	REAL300024862904	0	48	0.0	-68.73	412.73	1.06	-67.67
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863012	1	41	0.0	-66.55	367.46	0.92	-65.63
CC(C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863014	0	50	0.0	-76.20	410.27	-0.02	-76.22
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300024863034	0	52	0.0	-71.60	423.56	2.55	-69.05
C[NH+](C)CC1=CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024863054	1	45	0.0	-76.10	395.23	0.38	-75.72
CC1=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=CC2=C[NH+]=CN21	REAL300024863055	0	44	0.0	-72.73	390.36	3.14	-69.59
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863094	1	47	0.0	-65.17	403.66	2.11	-63.06
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024863142	0	50	0.0	-62.79	400.28	1.95	-60.84
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024863142	1	50	0.0	-63.26	389.80	1.53	-61.73
CC[N@@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024863175	1	47	0.0	-77.03	390.76	0.36	-76.67
CC[N@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024863175	1	47	0.0	-73.11	383.63	0.16	-72.95
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024863240	0	41	0.0	-72.16	363.65	2.44	-69.72
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863245	1	41	0.0	-68.80	367.76	1.73	-67.07
C[NH+](C)CCN1C=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=N1	REAL300024863248	0	49	0.0	-76.29	417.63	0.46	-75.83
C[NH+](C)CCN1C=CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024863258	0	49	0.0	-81.11	420.53	0.95	-80.16
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024863264	0	46	0.0	-72.16	374.38	0.34	-71.82
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024863264	1	46	0.0	-68.73	380.60	0.62	-68.11
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863267	1	50	0.0	-65.32	424.00	2.53	-62.79
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024863270	0	49	0.0	-70.87	391.31	0.90	-69.97
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024863270	1	49	0.0	-71.65	400.02	1.27	-70.38
CC1CCC(C)[NH+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863288	0	49	0.0	-65.10	394.78	1.18	-63.92
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024863294	0	49	0.0	-71.46	406.29	1.75	-69.71
C[NH+](C)CC1=CC=CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024863295	0	49	0.0	-74.57	411.89	2.41	-72.16
C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024863303	0	48	0.0	-76.74	405.53	1.96	-74.78
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024863304	0	49	0.0	-70.51	402.01	1.83	-68.68
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863309	0	49	0.0	-61.04	408.22	2.40	-58.64
CC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863316	0	49	0.0	-64.29	384.17	1.14	-63.15
CC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863316	1	49	0.0	-62.62	397.25	1.50	-61.12
CC(C)C(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024863317	0	55	0.0	-66.05	424.93	2.94	-63.11
C[NH+](C)C(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CC=C1	REAL300024863320	1	49	0.0	-66.14	412.61	2.86	-63.28
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CN2C=[NH+]C3=C2CCCC3)C1	REAL300024863325	1	48	0.0	-67.70	409.63	3.45	-64.25
C[NH+](C)CC1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCCC1	REAL300024863367	0	55	0.0	-75.23	415.32	2.85	-72.38
C[N@H+](CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCCCC1	REAL300024863373	0	55	0.0	-69.50	436.47	2.99	-66.51
C[N@@H+](CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCCCC1	REAL300024863373	1	55	0.0	-71.85	436.42	2.99	-68.86
C[NH+](C)C1(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024863374	0	52	0.0	-72.16	401.87	1.83	-70.33
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024863581	0	46	0.0	-67.04	384.11	1.37	-65.67
C[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024863581	1	46	0.0	-67.60	384.29	1.31	-66.29
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024863611	0	52	0.0	-63.40	404.73	1.55	-61.85
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300024863627	0	52	0.0	-71.81	429.33	2.71	-69.10
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC1=CC=CC=C1	REAL300024863629	1	49	0.0	-73.31	414.71	2.91	-70.40
C[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC1=CC=CC=C1	REAL300024863629	1	49	0.0	-72.87	414.71	2.98	-69.89
C[NH+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024863644	0	46	0.0	-74.58	380.00	0.82	-73.76
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863702	0	43	0.0	-68.83	357.12	-0.13	-68.96
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863702	1	43	0.0	-66.66	359.36	0.26	-66.40
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863726	1	45	0.0	-65.73	383.62	1.07	-64.66
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863726	1	45	0.0	-65.82	387.73	1.48	-64.34
C[N@@H+]1CCCC1CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863734	0	49	0.0	-73.04	405.44	1.81	-71.23
C[N@H+]1CCCC1CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863734	1	49	0.0	-71.82	401.82	1.66	-70.16
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024863746	0	50	0.0	-71.41	388.00	1.14	-70.27
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024863753	0	50	0.0	-64.52	399.40	1.75	-62.77
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024863753	1	50	0.0	-63.30	398.81	1.75	-61.55
CCC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024863839	0	52	0.0	-73.08	412.86	2.15	-70.93
CCC[N@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024863839	1	52	0.0	-65.20	413.20	2.30	-62.90
CC(C)[N@@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024863860	0	50	0.0	-70.38	400.81	0.66	-69.72
CC(C)[N@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024863860	1	50	0.0	-72.05	405.29	0.86	-71.19
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863878	0	53	0.0	-71.36	414.98	0.11	-71.25
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863897	0	46	0.0	-67.80	366.40	0.51	-67.29
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863897	1	46	0.0	-65.60	367.00	0.51	-65.09
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863925	0	52	0.0	-64.37	418.79	2.32	-62.05
CC(C)C[N@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863925	1	52	0.0	-67.47	410.47	2.69	-64.78
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300024863943	0	50	0.0	-70.42	411.47	-1.44	-71.86
C[NH+]1C2CCC1CC(=CC(=O)N1CC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024863979	0	51	0.0	-70.83	410.83	2.30	-68.53
CC1C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024863997	0	46	0.0	-69.95	382.28	0.83	-69.12
CC1C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024863997	1	46	0.0	-72.05	374.82	0.65	-71.40
C[N@@H+]1CCCCC1CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863999	0	52	0.0	-70.18	419.39	2.24	-67.94
C[N@H+]1CCCCC1CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024863999	1	52	0.0	-71.59	412.02	2.05	-69.54
[N-]=[N+]=NCC(F)(F)CCC(=O)N1CC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024864098	0	42	0.0	-23.49	389.89	-2.62	-26.11
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864115	0	49	0.0	-66.06	383.38	0.42	-65.64
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864115	1	49	0.0	-64.04	383.37	0.43	-63.61
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024864137	0	42	0.0	-67.41	355.40	-0.25	-67.66
C[NH+](C)CC1=CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC=N1	REAL300024864156	1	48	0.0	-72.18	407.93	0.60	-71.58
C=CCC(C)(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024864161	0	49	0.0	-72.12	387.23	1.56	-70.56
NC1=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=[NH+]C2=CC=CC=C21	REAL300024864189	1	45	0.0	-65.11	387.16	-0.37	-65.48
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CC[NH+]2CCCC2)C1	REAL300024864193	0	46	0.0	-70.92	386.38	1.05	-69.87
C[N@H+](CCO)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864203	1	43	0.0	-69.52	366.09	-3.19	-72.71
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864203	1	43	0.0	-69.54	365.88	-3.18	-72.72
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024864248	0	49	0.0	-70.76	386.05	-1.43	-72.19
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024864248	1	49	0.0	-73.51	385.90	-1.35	-74.86
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCSCC1	REAL300024864276	1	47	0.0	-67.67	391.22	1.10	-66.57
C[N@H+]1CC=C(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024864320	0	47	0.0	-70.84	397.10	1.72	-69.12
C[N@@H+]1CC=C(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024864320	1	47	0.0	-69.57	397.17	1.64	-67.93
C[S+](C)CCC(O)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864336	0	45	0.0	-76.03	400.84	-1.17	-77.20
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864358	0	47	0.0	-73.28	378.69	-2.85	-76.13
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864358	1	47	0.0	-67.63	383.26	-3.05	-70.68
CN1CC[N@H+](C)CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024864373	0	51	0.0	-71.72	412.06	-0.69	-72.41
CN1CC[N@@H+](C)CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024864373	1	51	0.0	-65.79	406.66	-1.21	-67.00
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024864374	0	50	0.0	-65.25	409.10	-1.82	-67.07
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300024864374	1	50	0.0	-68.31	408.16	-1.76	-70.07
C[N@@H+]1CCCC(O)(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024864414	0	50	0.0	-69.70	405.41	-0.14	-69.84
C[N@H+]1CCCC(O)(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024864414	1	50	0.0	-67.43	408.27	-0.23	-67.66
CC1C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024864421	1	43	0.0	-69.08	369.30	0.47	-68.61
CC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024864428	0	49	0.0	-73.40	400.49	1.56	-71.84
CC[N@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024864428	1	49	0.0	-64.91	391.70	1.56	-63.35
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024864453	0	47	0.0	-62.94	389.78	1.64	-61.30
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024864453	1	47	0.0	-64.16	387.32	1.48	-62.68
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024864504	0	47	0.0	-73.92	398.49	1.58	-72.34
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024864530	0	50	0.0	-71.78	404.80	2.02	-69.76
CC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864583	0	42	0.0	-69.12	355.79	-0.02	-69.14
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CN2CC3C=CC2C3)C1	REAL300024864648	0	45	0.0	-65.89	376.82	1.25	-64.64
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024864648	1	45	0.0	-66.22	377.01	1.16	-65.06
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024864648	1	45	0.0	-66.22	377.01	1.16	-65.06
CC1=CC=C(NCCC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)N=C1	REAL300024864672	0	48	0.0	-66.57	416.87	0.80	-65.77
CC1=CC=C(NCCC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[NH+]=C1	REAL300024864672	1	48	0.0	-66.57	416.87	0.80	-65.77
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300024864748	0	46	0.0	-77.12	372.65	-2.30	-79.42
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024864800	0	50	0.0	-62.34	387.68	1.37	-60.97
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024864800	1	50	0.0	-62.34	387.68	1.37	-60.97
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024864811	0	48	0.0	-64.26	382.47	1.32	-62.94
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024864811	1	48	0.0	-64.26	382.47	1.32	-62.94
CC(OCC[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864822	0	49	0.0	-71.53	410.52	0.96	-70.57
C[NH+](C)CCOCCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864834	0	49	0.0	-70.49	414.82	0.19	-70.30
COCCN(C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864836	0	46	0.0	-69.42	388.12	-0.78	-70.20
COCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864836	1	46	0.0	-70.42	388.39	-0.85	-71.27
COCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864836	1	46	0.0	-70.42	388.39	-0.85	-71.27
CC(CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024864843	0	48	0.0	-71.13	395.34	1.06	-70.07
CC[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024864879	0	46	0.0	-67.62	379.41	1.22	-66.40
CC1C[N@@H+]2CCN1C(C(=O)N1CC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024864897	0	49	0.0	-77.26	389.29	-1.71	-78.97
C[N@@H+]1CC2CC1(C(=O)N1CC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024864928	0	44	0.0	-69.16	363.16	0.49	-68.67
CC1=NC(N)=CC=C1C=CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864938	0	46	0.0	-69.79	402.72	0.03	-69.76
CC1=[NH+]C(N)=CC=C1C=CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864938	1	46	0.0	-69.79	402.72	0.03	-69.76
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024864946	0	47	0.0	-66.63	382.41	1.23	-65.40
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024864946	1	47	0.0	-66.63	382.41	1.23	-65.40
CC(C)[NH+]1CCC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024864961	0	55	0.0	-68.46	435.57	2.89	-65.57
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024864975	0	45	0.0	-65.25	373.99	0.46	-64.79
CCN1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865031	0	43	0.0	-67.03	362.45	0.09	-66.94
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865031	1	43	0.0	-66.94	369.70	0.33	-66.61
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865031	1	43	0.0	-66.94	369.70	0.33	-66.61
CC(C)[N@@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024865045	0	52	0.0	-64.26	408.36	2.08	-62.18
CC(C)[N@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024865045	1	52	0.0	-64.26	408.36	2.08	-62.18
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865066	0	51	0.0	-67.64	402.66	0.03	-67.61
C#CCN1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865118	0	48	0.0	-65.78	393.31	1.76	-64.02
C#CC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865118	1	48	0.0	-65.18	405.18	2.09	-63.09
C#CC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865118	1	48	0.0	-65.18	405.18	2.09	-63.09
CCCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024865135	0	48	0.0	-69.35	391.30	1.20	-68.15
C[NH+](C)C(C)(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865143	0	45	0.0	-70.98	360.44	0.45	-70.53
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865169	0	48	0.0	-72.26	395.75	0.97	-71.29
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	REAL300024865224	0	53	0.0	-70.19	405.75	1.93	-68.26
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1	REAL300024865224	1	53	0.0	-62.70	413.20	2.65	-60.05
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024865260	0	48	0.0	-68.41	395.92	1.75	-66.66
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024865260	1	48	0.0	-63.36	383.50	2.86	-60.50
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865314	0	49	0.0	-65.85	403.23	1.46	-64.39
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865314	1	49	0.0	-66.88	400.80	1.49	-65.39
C[NH+](C)CCCCCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865319	0	51	0.0	-73.18	424.91	2.24	-70.94
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300024865324	0	50	0.0	-74.43	412.68	-1.63	-76.06
CCC[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865330	0	52	0.0	-64.32	407.63	1.87	-62.45
CCC[N@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865330	1	52	0.0	-66.78	405.78	1.85	-64.93
CC[NH+]1CCN(CCC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024865339	0	54	0.0	-72.09	436.11	0.01	-72.08
CCN1CC[NH+](CCC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024865339	1	54	0.0	-71.80	436.61	0.05	-71.75
C[NH+]1CCN(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024865342	1	48	0.0	-69.85	397.07	-1.22	-71.07
CC(C)C[NH+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024865471	0	55	0.0	-74.05	436.95	2.86	-71.19
CC1C[N@H+](C)CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024865474	1	47	0.0	-70.07	385.27	0.20	-69.87
CC1C[N@@H+](C)CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024865474	1	47	0.0	-79.57	387.34	0.43	-79.14
CCC1CCC[N@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024865508	0	52	0.0	-67.38	412.02	2.38	-65.00
CCC1CCC[N@@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024865508	1	52	0.0	-68.95	411.94	2.47	-66.48
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024865518	0	47	0.0	-75.73	400.43	0.70	-75.03
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024865540	0	44	0.0	-68.67	373.73	1.26	-67.41
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300024865558	0	50	0.0	-66.95	403.08	2.14	-64.81
CC([NH2+]C1(CO)CCCC1)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865575	0	53	0.0	-71.18	404.09	-3.28	-74.46
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865608	0	46	0.0	-67.80	366.40	0.51	-67.29
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865608	1	46	0.0	-65.60	367.00	0.51	-65.09
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024865620	0	55	0.0	-67.27	436.93	2.81	-64.46
CC(C)C[N@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024865620	1	55	0.0	-65.40	430.60	2.98	-62.42
C[NH+](C)C1CCN(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024865685	0	54	0.0	-70.09	431.39	-0.01	-70.10
C[N@@H+]1CCC(=CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024865757	0	44	0.0	-74.31	376.62	0.91	-73.40
C[N@H+]1CCC(=CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024865757	1	44	0.0	-74.65	376.58	0.91	-73.74
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024865763	0	42	0.0	-70.19	373.77	-1.41	-71.60
[N-]=[N+]=NCC(=O)N1CC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024865824	0	33	0.0	-24.92	314.97	-5.01	-29.93
CC[NH+]1CCN(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024865833	0	51	0.0	-67.62	414.72	-0.54	-68.16
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300024865836	0	48	0.0	-68.60	394.31	1.71	-66.89
C[NH+](C)C1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024865885	0	49	0.0	-69.17	380.16	0.93	-68.24
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024865900	0	50	0.0	-65.59	408.95	-1.29	-66.88
C[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024865900	1	50	0.0	-68.09	409.04	-1.48	-69.57
CCC1C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024865906	0	46	0.0	-69.95	390.67	1.23	-68.72
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300024865910	0	51	0.0	-75.17	421.29	0.35	-74.82
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024865912	0	50	0.0	-68.53	390.15	1.72	-66.81
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865927	0	43	0.0	-66.70	363.10	0.36	-66.34
C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865927	1	43	0.0	-67.30	356.99	-0.13	-67.43
CC[N@@H+]1CCOCC1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865967	0	50	0.0	-71.23	401.74	-0.37	-71.60
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300024865995	0	53	0.0	-69.51	429.55	2.67	-66.84
COC1C[N@@H+]2CCCC2(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024866011	0	51	0.0	-64.58	408.48	-0.36	-64.94
COC1C[N@H+]2CCCC2(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024866011	1	51	0.0	-64.58	408.48	-0.36	-64.94
NC1=NC2=CC(C(=O)N3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)=CC=C2N1	REAL300024866079	0	43	0.0	-69.05	377.63	0.12	-68.93
NC1=[NH+]C2=CC(C(=O)N3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)=CC=C2N1	REAL300024866079	1	43	0.0	-69.05	377.63	0.12	-68.93
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024866127	0	46	0.0	-70.66	387.62	1.03	-69.63
C[NH+](C)CCC1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024866140	0	55	0.0	-77.52	432.72	2.57	-74.95
CC1CCCC(C)[NH+]1CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866142	0	55	0.0	-67.91	428.69	2.41	-65.50
C[NH+](C)C1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024866145	0	52	0.0	-69.60	407.68	1.84	-67.76
C[NH+](C)CCC1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024866146	0	49	0.0	-74.99	411.70	1.77	-73.22
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024866148	0	52	0.0	-69.71	407.64	1.84	-67.87
C[N@@H+]1CC=CCC1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866149	0	47	0.0	-63.28	384.21	1.38	-61.90
C[N@H+]1CC=CCC1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866149	1	47	0.0	-64.79	384.21	1.40	-63.39
CC1=CC(C=CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C[NH+]=C1N	REAL300024866209	1	46	0.0	-72.05	403.07	0.27	-71.78
C[NH+](C)CCOCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866223	0	46	0.0	-71.36	393.88	0.49	-70.87
CCCCC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866229	0	54	0.0	-73.22	442.65	2.85	-70.37
CCCCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866229	1	54	0.0	-70.76	442.65	2.93	-67.83
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024866242	0	50	0.0	-72.61	413.37	1.55	-71.06
[NH2+]=C1SC=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866273	0	39	0.0	-65.35	365.07	-0.44	-65.79
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866362	0	49	0.0	-70.08	409.04	1.00	-69.08
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300024866429	0	52	0.0	-71.60	412.53	2.31	-69.29
C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024866435	0	46	0.0	-70.69	380.00	0.77	-69.92
C[N@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024866435	1	46	0.0	-70.69	380.00	0.77	-69.92
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024866442	0	49	0.0	-68.30	389.13	1.38	-66.92
CN1C=C[N+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024866449	0	41	0.0	-67.23	369.24	2.89	-64.34
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024866467	0	55	0.0	-73.02	420.38	2.05	-70.97
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024866467	1	55	0.0	-73.02	420.38	2.05	-70.97
CN(C)CC1=CC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024866472	0	46	0.0	-76.60	399.40	1.03	-75.57
C[NH+](C)CC1=CC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024866472	1	46	0.0	-76.60	399.40	1.03	-75.57
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CN2CCC(O)CC2)C1	REAL300024866497	0	47	0.0	-71.27	390.88	-2.09	-73.36
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024866497	1	47	0.0	-71.27	390.88	-2.09	-73.36
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024866503	0	43	0.0	-66.64	367.43	0.79	-65.85
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CCN(C)CC1	REAL300024866505	0	51	0.0	-71.51	415.48	-0.75	-72.26
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024866505	1	51	0.0	-71.51	415.48	-0.75	-72.26
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300024866509	0	46	0.0	-73.45	392.50	1.12	-72.33
COC1C[N@H+](C)C(C)(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024866524	0	50	0.0	-73.83	400.65	-0.52	-74.35
CC(CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024866546	0	48	0.0	-72.54	395.03	1.41	-71.13
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024866568	0	48	0.0	-68.33	392.22	-0.43	-68.76
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024866568	1	48	0.0	-68.33	392.22	-0.43	-68.76
CN1CCOCC1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866594	0	47	0.0	-75.36	388.64	-0.81	-76.17
C[N@@H+]1CCOCC1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866594	1	47	0.0	-75.78	388.69	-0.87	-76.65
C[N@H+]1CCOCC1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866594	1	47	0.0	-75.78	388.69	-0.87	-76.65
CC1(O)CC[N@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024866731	0	47	0.0	-68.36	394.06	-2.27	-70.63
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866739	0	49	0.0	-67.07	413.26	0.48	-66.59
C[NH+]1CC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024866774	0	43	0.0	-72.18	369.34	0.14	-72.04
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024866780	0	50	0.0	-67.37	408.65	2.14	-65.23
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024866780	1	50	0.0	-67.37	408.65	2.14	-65.23
C[N@H+](CCO)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866829	0	46	0.0	-68.55	388.49	-2.62	-71.17
C[N@@H+](CCO)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866829	1	46	0.0	-68.55	388.49	-2.62	-71.17
C[N@@H+]1CCCCC1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866854	0	49	0.0	-71.60	397.26	1.57	-70.03
C[N@H+]1CCCCC1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866854	1	49	0.0	-71.60	397.26	1.57	-70.03
CC1=C2C=C(C(=O)N3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C=CN2C=N1	REAL300024866884	0	44	0.0	-74.03	386.08	2.95	-71.08
CC1=C2C=C(C(=O)N3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C=CN2C=[NH+]1	REAL300024866884	1	44	0.0	-74.03	386.08	2.95	-71.08
CC1CCN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866891	0	43	0.0	-67.26	364.37	0.20	-67.06
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866891	1	43	0.0	-68.27	369.39	0.42	-67.85
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866891	1	43	0.0	-68.27	369.39	0.42	-67.85
C[NH+](C)CC=CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866909	0	43	0.0	-71.74	373.77	0.58	-71.16
CC1(C)CN(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024866923	0	46	0.0	-69.18	388.55	1.00	-68.18
CC1(C)C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024866923	1	46	0.0	-69.18	388.55	1.00	-68.18
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CCCC[NH+]2CCCCC2)C1	REAL300024866937	0	55	0.0	-72.31	444.60	3.31	-69.00
CC1=C(C)NC(CCC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024866950	0	47	0.0	-65.82	408.29	0.60	-65.22
CC1=C(C)[NH+]=C(CCC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024866950	1	47	0.0	-65.82	408.29	0.60	-65.22
C[NH+]1CCC(C2(C(=O)N3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)CC2)CC1	REAL300024866961	0	53	0.0	-77.38	428.18	2.60	-74.78
CC1=C2C=C(C(=O)N3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C=CN2C=N1	REAL300024866971	0	44	0.0	-74.03	386.08	2.95	-71.08
CC1=C2C=C(C(=O)N3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C=CN2C=[NH+]1	REAL300024866971	1	44	0.0	-74.03	386.08	2.95	-71.08
C[NH+](C)CCSCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024866983	0	46	0.0	-75.91	404.90	1.32	-74.59
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024867012	0	47	0.0	-68.13	387.62	-2.56	-70.69
CC[NH+](CC)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867016	0	45	0.0	-67.52	374.10	0.73	-66.79
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCSC1	REAL300024867027	0	47	0.0	-74.25	397.34	1.61	-72.64
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CN2CCC2)C1	REAL300024867029	0	40	0.0	-69.26	348.30	-0.15	-69.41
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[NH+]2CCC2)C1	REAL300024867029	1	40	0.0	-69.26	348.30	-0.15	-69.41
CC[NH+](CC)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867089	0	48	0.0	-70.09	395.96	1.30	-68.79
C[NH+](C)CC1=CNC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024867166	0	47	0.0	-74.98	400.01	0.68	-74.30
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024867187	0	50	0.0	-69.44	402.98	-1.97	-71.41
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024867195	0	48	0.0	-67.41	393.14	-0.39	-67.80
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024867195	1	48	0.0	-72.18	396.26	-0.38	-72.56
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024867213	1	43	0.0	-68.85	359.99	0.02	-68.83
CCC(CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024867224	0	51	0.0	-75.89	413.00	1.93	-73.96
C[NH+](C)CC(C)(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867233	0	48	0.0	-70.74	381.56	0.65	-70.09
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867306	0	46	0.0	-65.19	368.41	0.49	-64.70
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867306	1	46	0.0	-66.99	379.70	0.96	-66.03
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867323	0	49	0.0	-73.19	389.37	-1.83	-75.02
CC1CN2CC[N@H+]1CC2C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867323	1	49	0.0	-74.07	389.41	-1.84	-75.91
C[NH+](C)CC(O)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867352	0	46	0.0	-75.17	390.62	-1.56	-76.73
C[NH+]1C2CCC1CC(C(=O)N1CC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024867355	0	50	0.0	-69.05	375.15	1.53	-67.52
C=CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024867400	0	46	0.0	-67.66	384.67	0.98	-66.68
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024867412	0	50	0.0	-72.23	405.08	1.98	-70.25
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024867412	1	50	0.0	-68.92	405.29	1.97	-66.95
C[NH+]1CCC(C)(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024867426	0	49	0.0	-72.36	388.95	0.91	-71.45
C[NH+]1CCC(O)(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024867431	0	50	0.0	-69.51	408.60	-0.34	-69.85
COCC[N@@H+]1CCCC1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867446	0	53	0.0	-67.21	433.89	1.02	-66.19
COCC[N@H+]1CCCC1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867446	1	53	0.0	-70.46	429.48	0.37	-70.09
C[NH+]1C2CCC1CC(CC(=O)N1CC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024867458	0	53	0.0	-72.60	403.68	1.84	-70.76
NC(=[NH2+])SCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867473	0	37	0.0	-76.89	346.53	-3.72	-80.61
CC[N@@H+]1CCOCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867519	0	50	0.0	-76.41	401.38	-0.23	-76.64
C[NH+](C)CCC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024867538	0	55	0.0	-65.45	439.25	2.93	-62.52
CC1CCCC(C)[NH+]1CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867540	0	55	0.0	-65.79	428.63	2.41	-63.38
C[NH+](C)C1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024867543	0	52	0.0	-78.25	416.83	2.25	-76.00
C[NH+](C)CCC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024867544	0	49	0.0	-78.59	412.54	1.88	-76.71
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024867546	0	52	0.0	-71.04	410.34	2.01	-69.03
C[N@@H+]1CC=CCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867547	0	47	0.0	-78.47	389.22	1.46	-77.01
C[N@H+]1CC=CCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867547	1	47	0.0	-78.47	389.22	1.46	-77.01
C[C@@H](OCC[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867574	0	49	0.0	-72.13	413.67	1.13	-71.00
C[NH+]1C2CCC1CC(C(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024867608	0	50	0.0	-73.61	380.88	1.91	-71.70
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCSCC1	REAL300024867746	1	47	0.0	-69.09	393.43	1.25	-67.84
CCC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024867748	1	46	0.0	-68.92	390.73	1.18	-67.74
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2C[NH+](C3CCOCC3)C2)C1	REAL300024867750	0	51	0.0	-73.43	421.25	0.36	-73.07
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024867752	0	50	0.0	-63.38	400.21	2.13	-61.25
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867762	1	43	0.0	-67.87	358.04	-0.14	-68.01
O=C(CC[N@@H+]1CCC(F)C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867771	1	46	0.0	-79.69	392.17	1.22	-78.47
COC1C[N@@H+](C)C(C)(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024867779	1	50	0.0	-77.52	407.69	0.04	-77.48
O=C(CC[NH+]1CCCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867792	0	52	0.0	-70.37	412.07	2.03	-68.34
O=C(C[NH+]1CCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867794	0	46	0.0	-75.25	380.11	1.29	-73.96
CC1C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024867804	0	46	0.0	-73.73	384.05	0.88	-72.85
CC1C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024867804	1	46	0.0	-73.29	379.17	0.61	-72.68
C[N@@H+]1CCCCC1CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867806	0	52	0.0	-73.39	419.37	2.32	-71.07
C[N@H+]1CCCCC1CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867806	1	52	0.0	-67.55	419.38	2.25	-65.30
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024867840	0	48	0.0	-72.52	393.05	-0.30	-72.82
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024867840	1	48	0.0	-72.71	393.16	-0.35	-73.06
CC1=[NH+]C=C2C=CC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)=CN21	REAL300024867845	0	44	0.0	-71.36	389.58	2.69	-68.67
CN1CCOCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867864	0	47	0.0	-71.50	381.13	-0.92	-72.42
C[N@@H+]1CCOCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867864	1	47	0.0	-67.45	381.20	-1.01	-68.46
C[N@H+]1CCOCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867864	1	47	0.0	-71.50	381.13	-0.92	-72.42
CC1=C(C)[NH+]=C(CCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024867873	1	47	0.0	-70.29	408.24	0.69	-69.60
CCOCC(N=[N+]=[N-])C(=O)NC1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024867879	0	43	0.0	-22.19	390.02	-4.21	-26.40
CC(C)C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024867887	0	55	0.0	-68.90	432.93	3.33	-65.57
CC(C)C[N@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024867887	1	55	0.0	-68.09	439.50	3.12	-64.97
C[NH+](C)CCN1N=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867930	0	49	0.0	-70.74	417.74	0.80	-69.94
C[NH+]1CCC(C2(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)CC1	REAL300024867975	0	53	0.0	-67.52	426.36	3.00	-64.52
CC1=C2C=C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C=CN2C=[NH+]1	REAL300024867986	1	44	0.0	-77.23	390.36	3.48	-73.75
C[NH+](C)CCSCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867997	0	46	0.0	-79.76	404.89	1.33	-78.43
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024868009	0	48	0.0	-74.24	396.42	-0.23	-74.47
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024868009	1	48	0.0	-77.06	396.79	-0.35	-77.41
C[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868172	0	46	0.0	-73.40	379.26	0.48	-72.92
C[N@H+]1CCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868172	1	46	0.0	-73.50	379.35	0.50	-73.00
C[N@@H+]1CCOC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024868196	1	47	0.0	-77.22	389.55	0.34	-76.88
C[N@H+]1CCOC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024868196	1	47	0.0	-78.27	389.63	0.34	-77.93
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024868352	0	55	0.0	-72.56	423.86	2.71	-69.85
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868354	0	55	0.0	-68.44	432.41	2.44	-66.00
CC(C)[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868354	1	55	0.0	-68.64	432.42	2.53	-66.11
CC(C)[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868374	0	52	0.0	-69.16	421.18	2.25	-66.91
CC(C)[N@H+]1CCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868374	1	52	0.0	-69.27	418.12	2.06	-67.21
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024868390	0	53	0.0	-74.73	426.87	2.79	-71.94
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024868390	1	53	0.0	-71.22	426.78	2.77	-68.45
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868408	1	50	0.0	-69.81	425.01	2.76	-67.05
CC1=[NH+]C=CN1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868433	1	44	0.0	-71.30	388.80	1.65	-69.65
CC(C[NH+]1CCOCC1)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868434	0	53	0.0	-76.05	430.65	0.67	-75.38
O=C(CCC[NH+]1CCCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868449	0	55	0.0	-74.72	444.41	3.23	-71.49
CC(C)(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024868463	0	55	0.0	-73.06	428.70	2.92	-70.14
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024868471	0	50	0.0	-78.77	400.68	1.73	-77.04
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024868506	0	53	0.0	-67.96	423.88	2.87	-65.09
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024868506	1	53	0.0	-67.75	423.88	2.76	-64.99
C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024868516	0	49	0.0	-76.69	396.02	1.01	-75.68
C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024868516	1	49	0.0	-73.98	401.55	1.47	-72.51
CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024868520	0	52	0.0	-74.94	416.31	1.73	-73.21
CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024868520	1	52	0.0	-74.69	421.93	2.12	-72.57
CC[N@@H+]1CCOC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024868529	1	50	0.0	-76.97	407.38	0.89	-76.08
CC[N@H+]1CCOC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024868529	1	50	0.0	-77.20	407.39	0.97	-76.23
CC[NH+](CC)CC(F)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868568	0	51	0.0	-74.65	421.27	1.84	-72.81
CC1CCC(C)[NH+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868627	0	52	0.0	-70.87	416.52	2.06	-68.81
O=C(CCC[NH+]1CCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868633	0	52	0.0	-74.34	429.17	2.47	-71.87
C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024868637	0	51	0.0	-78.43	429.13	2.91	-75.52
O=C(CC[NH+]1CCCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868638	0	52	0.0	-75.03	422.91	2.44	-72.59
CC[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868642	0	52	0.0	-70.42	409.65	2.03	-68.39
CC[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868642	1	52	0.0	-70.58	409.70	2.03	-68.55
CC(C)C[N@@H+]1CCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024868654	0	55	0.0	-73.79	444.37	3.01	-70.78
CC(C)C[N@H+]1CCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024868654	1	55	0.0	-74.48	445.26	2.99	-71.49
C[NH+](C)C1(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024868657	0	49	0.0	-76.86	398.69	1.73	-75.13
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868659	0	55	0.0	-67.52	428.54	2.56	-64.96
CC(C)[N@H+]1CCCC1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868659	1	55	0.0	-72.14	438.63	2.66	-69.48
CC(C)[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024868670	0	51	0.0	-71.57	405.28	1.94	-69.63
C[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024868707	0	49	0.0	-72.52	405.58	2.02	-70.50
C[N@@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024868707	1	49	0.0	-72.66	405.48	2.01	-70.65
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024868751	0	55	0.0	-68.18	428.74	2.52	-65.66
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868802	1	48	0.0	-72.13	405.92	1.82	-70.31
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868802	1	48	0.0	-71.68	411.87	2.21	-69.47
C[N@@H+]1CCCC1CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868807	0	52	0.0	-76.20	426.70	2.44	-73.76
C[N@H+]1CCCC1CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868807	1	52	0.0	-73.21	421.27	1.95	-71.26
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024868814	0	53	0.0	-74.10	416.75	2.24	-71.86
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024868817	0	53	0.0	-68.91	427.19	2.88	-66.03
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024868817	1	53	0.0	-69.01	427.21	2.97	-66.04
O=C(CCCC[NH+]1CCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868832	0	55	0.0	-74.83	450.70	3.35	-71.48
C[NH+]1CCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024868843	0	49	0.0	-77.59	403.97	1.70	-75.89
C[NH+](C)CC1=CC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024868872	1	48	0.0	-81.23	418.48	1.07	-80.16
C[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868896	0	49	0.0	-71.94	391.95	1.34	-70.60
C[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868896	1	49	0.0	-71.71	392.00	1.36	-70.35
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868915	0	55	0.0	-71.70	438.28	2.60	-69.10
CC(C)C[N@H+]1CCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024868915	1	55	0.0	-70.76	443.96	3.16	-67.60
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024869000	0	44	0.0	-74.47	389.51	3.44	-71.03
CC1=[NH+]C=CN1CCCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869006	1	50	0.0	-71.49	430.31	2.85	-68.64
O=C(CC[NH+]1CCOCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869010	1	50	0.0	-78.32	414.64	0.05	-78.27
CC1=C[NH+]=CN1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869035	1	44	0.0	-73.68	388.07	2.34	-71.34
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C23CCC[NH+]2CCC3)C1	REAL300024869067	0	50	0.0	-74.12	404.01	1.94	-72.18
C[NH+](C)C1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869087	0	55	0.0	-69.64	431.65	2.72	-66.92
C[N@@H+]1CCC(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869089	0	49	0.0	-76.23	405.89	1.54	-74.69
C[N@H+]1CCC(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869089	1	49	0.0	-75.27	405.52	1.65	-73.62
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869100	0	48	0.0	-80.20	410.25	0.85	-79.35
CCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024869105	0	48	0.0	-72.46	391.96	1.09	-71.37
C[NH+](C)C1(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024869115	0	55	0.0	-69.36	427.79	2.75	-66.61
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024869149	1	44	0.0	-77.85	389.78	3.45	-74.40
C[NH+](C)CCCCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869194	0	51	0.0	-75.90	424.71	2.07	-73.83
CC(C)C(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024869212	0	51	0.0	-72.20	408.97	2.00	-70.20
CCC[N@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869214	0	51	0.0	-76.12	420.96	1.99	-74.13
CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869214	1	51	0.0	-76.13	420.97	1.99	-74.14
CCC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869219	0	48	0.0	-74.59	398.59	1.45	-73.14
CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869219	1	48	0.0	-74.58	398.60	1.44	-73.14
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024869239	0	50	0.0	-78.42	401.25	1.16	-77.26
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024869239	1	50	0.0	-78.79	401.22	1.27	-77.52
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869271	0	46	0.0	-73.44	379.34	0.48	-72.96
C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869271	1	46	0.0	-71.39	385.31	1.08	-70.31
CCCCCC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869318	0	57	0.0	-75.85	463.10	3.79	-72.06
CCCCCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869318	1	57	0.0	-75.89	463.09	3.80	-72.09
CC[NH+](CC)C(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024869321	0	57	0.0	-67.86	439.68	3.17	-64.69
CC[NH+](CC)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869329	0	48	0.0	-72.47	395.45	1.30	-71.17
CCC[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869360	0	55	0.0	-73.48	443.11	3.06	-70.42
CCC[N@H+]1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869360	1	55	0.0	-73.46	443.11	3.06	-70.40
CC(C)[N@@H+]1CCOC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869374	0	53	0.0	-74.57	424.18	1.50	-73.07
CC(C)[N@H+]1CCOC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869374	1	53	0.0	-79.94	431.30	1.65	-78.29
CC1CC[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024869401	0	52	0.0	-74.81	422.33	2.53	-72.28
C[NH+]1CCC(OCC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024869424	0	53	0.0	-79.42	439.30	2.03	-77.39
C[NH+](C)CC1(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024869434	0	49	0.0	-76.47	411.12	1.81	-74.66
CC(C)[NH+]1CCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024869497	0	55	0.0	-74.63	434.62	2.66	-71.97
C[NH+]1CCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024869513	0	49	0.0	-77.59	403.97	1.70	-75.89
CC(C)[C@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024869531	0	51	0.0	-72.84	408.97	2.10	-70.74
CCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024869561	0	54	0.0	-68.20	425.48	2.23	-65.97
CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869611	0	48	0.0	-75.23	399.44	1.15	-74.08
CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869611	1	48	0.0	-75.42	399.46	1.26	-74.16
CC1CCC[N@@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869660	0	49	0.0	-71.41	405.41	1.69	-69.72
CC1CCC[N@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869660	1	49	0.0	-71.78	404.63	1.83	-69.95
CC1CC[N@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869662	0	49	0.0	-73.73	405.17	1.80	-71.93
CC1CC[N@@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869662	1	49	0.0	-73.84	404.74	1.79	-72.05
CC1(C)CC[N@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869666	0	52	0.0	-73.90	424.93	2.29	-71.61
CC1(C)CC[N@@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869666	1	52	0.0	-73.95	424.86	2.29	-71.66
C[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024869667	0	54	0.0	-74.46	427.19	2.44	-72.02
C[N@@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024869667	1	54	0.0	-74.21	429.14	2.59	-71.62
CC[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024869675	0	48	0.0	-71.47	390.02	1.04	-70.43
C[NH+]1CCC(O)(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024869817	0	53	0.0	-72.70	426.99	0.44	-72.26
C[NH+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869828	0	42	0.0	-74.64	359.34	-0.07	-74.71
O=C(C[NH+]1CCC(CO)CC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869832	1	53	0.0	-76.21	433.15	-0.78	-76.99
O=C(C[NH+]1CCCCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869833	0	52	0.0	-73.82	410.39	1.98	-71.84
CN1C=C[N+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024869837	0	44	0.0	-72.20	390.61	3.54	-68.66
C[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869843	0	49	0.0	-68.41	397.69	1.86	-66.55
C[N@H+]1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869843	1	49	0.0	-74.33	403.86	1.65	-72.68
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024869848	0	50	0.0	-72.08	411.82	2.04	-70.04
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024869848	1	50	0.0	-71.54	409.74	1.81	-69.73
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024869872	1	46	0.0	-71.68	387.56	1.10	-70.58
CCC(CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024869876	0	54	0.0	-69.92	434.58	2.55	-67.37
C[NH+](C)CC(C)(C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869883	0	51	0.0	-73.87	406.54	1.61	-72.26
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024869898	0	51	0.0	-71.57	416.27	2.57	-69.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024869898	1	51	0.0	-73.14	417.35	3.26	-69.88
O=C(C[NH+]1CCC(O)CC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869906	1	50	0.0	-78.75	412.17	-1.44	-80.19
C[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024869907	0	46	0.0	-72.22	388.77	1.44	-70.78
C[N@@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024869907	1	46	0.0	-72.11	388.77	1.44	-70.67
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024869908	1	54	0.0	-73.93	432.69	-0.12	-74.05
C[NH+]1CC(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869926	0	46	0.0	-74.75	390.79	0.76	-73.99
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024869930	0	53	0.0	-73.86	431.73	3.00	-70.86
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024869930	1	53	0.0	-73.94	430.03	2.83	-71.11
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869938	0	52	0.0	-70.80	420.64	1.75	-69.05
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869938	1	52	0.0	-70.59	421.35	1.80	-68.79
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024869949	0	45	0.0	-72.62	377.26	0.45	-72.17
[N-]=[N+]=NCC(=O)NCC1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024869956	0	36	0.0	-25.57	336.32	-4.46	-30.03
CCC1CCC[N@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869981	0	55	0.0	-74.64	433.26	3.11	-71.53
CCC1CCC[N@@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024869981	1	55	0.0	-73.48	432.80	2.71	-70.77
C[NH+](C)CC1=CC=C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024869988	0	50	0.0	-82.10	426.21	1.22	-80.88
[NH2+]=C1SC=CN1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870030	0	42	0.0	-70.96	386.44	0.23	-70.73
C[N@H+](CCO)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870040	0	49	0.0	-75.33	409.81	-1.97	-77.30
C[N@@H+](CCO)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870040	1	49	0.0	-75.05	409.81	-1.99	-77.04
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024870041	0	45	0.0	-72.62	377.26	0.45	-72.17
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870045	0	49	0.0	-72.10	392.00	1.47	-70.63
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870045	1	49	0.0	-71.27	401.31	1.52	-69.75
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870053	0	52	0.0	-77.38	412.06	-0.98	-78.36
CC1CN2CC[N@H+]1CC2C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870053	1	52	0.0	-78.33	412.13	-0.95	-79.28
O=C(C[NH+]1CCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870115	1	43	0.0	-74.31	369.44	0.35	-73.96
C[N@@H+]1CCC(=CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870140	0	47	0.0	-77.00	398.21	1.58	-75.42
C[N@H+]1CCC(=CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870140	1	47	0.0	-77.04	398.21	1.58	-75.46
C[NH+](C)CCOCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870171	0	49	0.0	-74.01	415.22	0.99	-73.02
CCCCC[N@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870176	0	57	0.0	-77.24	463.97	3.54	-73.70
CCCCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870176	1	57	0.0	-77.25	463.96	3.56	-73.69
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024870185	0	53	0.0	-74.80	438.06	1.98	-72.82
C=CCC(C)(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024870192	0	52	0.0	-69.03	414.72	1.99	-67.04
C[S+](C)CCC(O)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870196	0	48	0.0	-77.05	424.19	-0.41	-77.46
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870221	0	50	0.0	-78.75	405.73	-1.91	-80.66
CN1CC[N@H+](C)CC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870231	0	54	0.0	-72.44	429.29	0.20	-72.24
CN1CC[N@@H+](C)CC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870231	1	54	0.0	-72.44	429.29	0.20	-72.24
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024870232	0	53	0.0	-73.58	430.23	-1.07	-74.65
O=C(CN1CCC(CO)CC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870240	0	53	0.0	-76.21	433.15	-0.78	-76.99
O=C(C[NH+]1CCC(CO)CC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870240	1	53	0.0	-76.21	433.15	-0.78	-76.99
C[N@@H+]1CCCC(O)(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870249	0	53	0.0	-70.45	429.66	0.39	-70.06
C[N@H+]1CCCC(O)(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870249	1	53	0.0	-70.45	429.66	0.39	-70.06
CC1CN(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870252	0	46	0.0	-74.46	390.63	1.13	-73.33
CC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870252	1	46	0.0	-74.46	390.63	1.13	-73.33
CN(CCO)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870275	0	46	0.0	-74.86	387.44	-2.53	-77.39
C[N@H+](CCO)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870275	1	46	0.0	-74.57	387.24	-2.54	-77.11
C[N@@H+](CCO)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870275	1	46	0.0	-74.57	387.24	-2.54	-77.11
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024870296	0	52	0.0	-82.55	406.10	-0.16	-82.71
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024870296	1	52	0.0	-82.55	406.10	-0.16	-82.71
CC[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870301	0	52	0.0	-72.83	421.52	2.31	-70.52
CC[N@H+]1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870301	1	52	0.0	-72.83	421.52	2.31	-70.52
CC(CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024870303	0	51	0.0	-75.24	416.53	1.93	-73.31
CC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870310	0	45	0.0	-74.12	377.09	0.70	-73.42
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024870329	0	53	0.0	-68.29	413.65	2.50	-65.79
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024870329	1	53	0.0	-68.29	413.65	2.50	-65.79
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024870334	0	51	0.0	-74.34	405.32	2.83	-71.51
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024870334	1	51	0.0	-74.34	405.32	2.83	-71.51
CC[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024870353	0	49	0.0	-71.63	405.72	2.02	-69.61
CC[NH+](CC)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870366	0	51	0.0	-74.33	417.29	1.85	-72.48
CC1(C)CN(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870386	0	49	0.0	-74.44	410.20	1.71	-72.73
CC1(C)C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870386	1	49	0.0	-74.44	410.20	1.71	-72.73
CC1(O)CC[N@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870410	0	50	0.0	-74.67	415.51	-1.56	-76.23
C[NH+](C)CC=CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870417	0	46	0.0	-77.62	395.31	1.15	-76.47
CC(OCC[NH+](C)C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870435	0	52	0.0	-72.37	435.01	1.68	-70.69
C[NH+](C)CCOCCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870442	0	52	0.0	-73.95	436.16	0.74	-73.21
COCCN(C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870443	0	49	0.0	-74.42	409.49	-0.13	-74.55
COCC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870443	1	49	0.0	-75.05	409.69	-0.13	-75.18
COCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870443	1	49	0.0	-75.05	409.69	-0.13	-75.18
C[NH+](C)C1(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024870470	0	52	0.0	-75.91	411.55	2.57	-73.34
CC(CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024870473	0	51	0.0	-73.60	416.70	1.68	-71.92
CCN1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870479	0	46	0.0	-72.63	383.23	0.88	-71.75
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870479	1	46	0.0	-73.12	391.00	1.06	-72.06
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870479	1	46	0.0	-73.12	391.00	1.06	-72.06
CC(C)[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870487	0	55	0.0	-71.64	438.26	2.83	-68.81
CC(C)[N@H+]1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024870487	1	55	0.0	-71.64	438.26	2.83	-68.81
O=C(C[N@H+]1CCCC1CO)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870498	0	50	0.0	-73.53	412.35	-1.52	-75.05
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024870520	0	53	0.0	-71.22	426.78	2.77	-68.45
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024870520	1	53	0.0	-71.22	426.78	2.77	-68.45
C[NH+]1CCC(C)(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024870526	0	52	0.0	-73.33	416.61	2.11	-71.22
C[NH+](C)CC1=CNC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024870532	0	50	0.0	-77.80	425.73	1.26	-76.54
C=CCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024870552	0	49	0.0	-72.63	405.96	1.61	-71.02
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870562	0	52	0.0	-72.56	419.72	1.53	-71.03
C[N@H+]1CC(C)(C)CC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870562	1	52	0.0	-72.56	419.72	1.53	-71.03
C[NH+](C)CCCCCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870565	0	54	0.0	-75.36	446.21	2.86	-72.50
CC1C[N@@H+]2CCN1C(C(=O)NCC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024870598	0	52	0.0	-80.31	412.26	-0.91	-81.22
CC1C[N@H+]2CCN1C(C(=O)NCC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024870598	1	52	0.0	-80.31	412.26	-0.91	-81.22
CCCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024870599	0	51	0.0	-72.97	413.46	1.84	-71.13
C[NH+](C)C(C)(C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870603	0	48	0.0	-76.19	387.05	1.05	-75.14
C[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870637	0	49	0.0	-71.71	392.00	1.36	-70.35
C[N@H+]1CC=C(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024870669	0	50	0.0	-71.90	418.44	2.26	-69.64
C[N@@H+]1CC=C(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024870669	1	50	0.0	-71.90	418.44	2.26	-69.64
O=C(CC1([NH+]2CCCC2)CC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870677	0	53	0.0	-71.45	423.35	2.70	-68.75
CN(C)CC1=CC=C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024870716	0	49	0.0	-79.55	423.94	1.85	-77.70
C[NH+](C)CC1=CC=C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024870716	1	49	0.0	-79.55	423.94	1.85	-77.70
O=C(C=CC[NH+]1CCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870730	0	50	0.0	-76.53	421.65	2.35	-74.18
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024870749	0	53	0.0	-75.16	428.78	2.90	-72.26
O=C(CC[NH+]1CCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870769	0	49	0.0	-74.95	407.70	1.77	-73.18
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024870802	0	49	0.0	-79.41	395.73	-1.50	-80.91
C[N@@H+]1CC2CC1(C(=O)NCC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024870811	0	47	0.0	-75.46	390.14	1.04	-74.42
O=C(C[N@@H+]1CC2CCC1C2)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870822	0	50	0.0	-71.64	403.46	1.94	-69.70
O=C(C[N@H+]1CC2CCC1C2)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870822	1	50	0.0	-71.64	403.46	1.94	-69.70
O=C(C=C1C[NH+]2CCC1CC2)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870859	0	51	0.0	-70.92	415.48	2.32	-68.60
O=C(CN1CC2C=CC1C2)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870869	0	48	0.0	-72.49	398.66	1.90	-70.59
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870869	1	48	0.0	-70.84	398.38	1.91	-68.93
O=C(C[N@H+]1CC2C=CC1C2)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870869	1	48	0.0	-70.84	398.38	1.91	-68.93
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870911	0	48	0.0	-74.84	397.81	1.21	-73.63
C[N@@H+]1CCCCC1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870974	0	52	0.0	-75.99	418.61	2.23	-73.76
C[N@H+]1CCCCC1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870974	1	52	0.0	-75.99	418.61	2.23	-73.76
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300024870988	0	49	0.0	-72.72	409.70	1.70	-71.02
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024870988	1	49	0.0	-72.72	409.70	1.70	-71.02
CC1CCN1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870991	0	46	0.0	-73.07	390.57	1.15	-71.92
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870991	1	46	0.0	-72.09	385.68	0.92	-71.17
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870991	1	46	0.0	-72.09	385.68	0.92	-71.17
C[NH+](C)CC(O)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870994	0	49	0.0	-78.37	411.94	-1.02	-79.39
CC1CN(C)CC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024871018	0	50	0.0	-85.14	410.65	0.79	-84.35
CC1C[N@H+](C)CC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024871018	1	50	0.0	-77.50	410.75	1.08	-76.42
CC1C[N@@H+](C)CC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024871018	1	50	0.0	-77.50	410.75	1.08	-76.42
O=C(CC[NH+]1CCC(O)CC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871026	0	53	0.0	-78.60	434.46	-0.89	-79.49
CCC[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871028	0	55	0.0	-70.71	440.58	3.02	-67.69
CCC[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871028	1	55	0.0	-70.71	440.58	3.02	-67.69
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024871088	0	49	0.0	-74.87	409.10	1.76	-73.11
CC(CC[NH+](C)C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871095	0	51	0.0	-74.86	419.38	1.84	-73.02
C[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024871113	0	53	0.0	-73.42	430.32	-0.85	-74.27
C#CCN1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871118	0	51	0.0	-71.65	417.22	2.67	-68.98
C#CC[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871118	1	51	0.0	-71.50	417.18	2.59	-68.91
C#CC[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871118	1	51	0.0	-71.50	417.18	2.59	-68.91
CN1CCN(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024871121	0	51	0.0	-74.26	418.77	-0.45	-74.71
C[NH+]1CCN(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024871121	1	51	0.0	-74.26	418.77	-0.45	-74.71
C[N@@H+]1CCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871299	0	46	0.0	-70.57	378.45	0.51	-70.06
C[N@H+]1CCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871299	1	46	0.0	-68.97	381.14	0.81	-68.16
C[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024871325	1	47	0.0	-77.03	385.12	0.15	-76.88
C[N@H+]1CCOC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024871325	1	47	0.0	-76.85	385.36	0.08	-76.77
CC1=[NH+]C=CN1CCCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871482	1	50	0.0	-70.98	430.32	2.84	-68.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024871486	1	50	0.0	-76.64	414.62	-0.05	-76.69
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024871506	0	50	0.0	-72.78	393.70	1.54	-71.24
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024871514	1	44	0.0	-77.98	385.29	3.09	-74.89
C[NH+](C)C1CCCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024871562	0	55	0.0	-75.49	438.79	2.65	-72.84
C[N@@H+]1CCC(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024871564	0	49	0.0	-74.89	406.11	1.49	-73.40
C[N@H+]1CCC(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024871564	1	49	0.0	-74.68	405.50	1.52	-73.16
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871575	0	48	0.0	-78.22	408.19	0.20	-78.02
CCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024871580	0	48	0.0	-70.68	392.32	1.10	-69.58
C[NH+](C)CCCCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871632	0	51	0.0	-75.51	424.71	2.07	-73.44
CC(C)C(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024871652	0	51	0.0	-70.04	402.70	1.80	-68.24
CCC[N@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871654	0	51	0.0	-74.53	420.97	1.99	-72.54
CCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871654	1	51	0.0	-74.79	420.94	1.90	-72.89
CCC[N@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871659	0	48	0.0	-71.87	398.58	1.35	-70.52
CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871659	1	48	0.0	-71.88	398.58	1.34	-70.54
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024871679	0	50	0.0	-74.25	396.24	0.88	-73.37
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024871679	1	50	0.0	-74.33	396.49	0.87	-73.46
CCCCCC[N@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871702	0	57	0.0	-73.09	463.09	3.77	-69.32
CCCCCC[N@@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871702	1	57	0.0	-73.17	463.07	3.70	-69.47
CC[NH+](CC)C(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024871705	0	57	0.0	-68.48	435.93	3.15	-65.33
CC1CC[NH+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024871734	0	52	0.0	-71.88	421.93	2.40	-69.48
C[NH+]1CCC(OCC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024871757	0	53	0.0	-79.30	439.28	2.16	-77.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024871796	0	53	0.0	-72.59	426.36	2.65	-69.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024871796	1	53	0.0	-69.62	425.75	2.72	-66.90
C[NH+](C)CC1(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024871805	0	49	0.0	-75.70	399.08	1.51	-74.19
CC(C)[NH+]1CCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024871815	0	55	0.0	-74.23	435.67	2.64	-71.59
CC[N@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871831	0	48	0.0	-73.90	399.47	1.24	-72.66
CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024871831	1	48	0.0	-73.96	399.45	1.16	-72.80
CC(C)(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024871852	0	55	0.0	-70.29	424.16	2.89	-67.40
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024871860	0	50	0.0	-77.19	399.22	1.71	-75.48
C[NH+]1CCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024871923	0	49	0.0	-76.84	401.35	1.45	-75.39
CC(C)[C@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024871941	0	51	0.0	-70.12	403.91	1.67	-68.45
CC[NH+](CC)CC(F)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872024	0	51	0.0	-73.13	422.09	1.90	-71.23
CC(C)C[N@@H+]1CCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024872052	0	55	0.0	-73.41	442.30	2.77	-70.64
CC(C)C[N@H+]1CCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024872052	1	55	0.0	-73.55	440.67	2.80	-70.75
C[NH+](C)C1(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024872055	0	49	0.0	-72.90	389.41	1.24	-71.66
CCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024872085	0	54	0.0	-65.96	425.16	2.27	-63.69
CC1CCC[N@@H+]1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872102	0	49	0.0	-68.44	397.98	1.28	-67.16
CC1CCC[N@H+]1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872102	1	49	0.0	-68.87	404.25	1.61	-67.26
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024872150	0	55	0.0	-67.77	429.47	2.41	-65.36
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872152	0	55	0.0	-65.97	432.10	2.41	-63.56
CC(C)[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872152	1	55	0.0	-66.59	423.71	2.31	-64.28
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872172	0	52	0.0	-67.37	415.96	1.95	-65.42
CC(C)[N@H+]1CCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872172	1	52	0.0	-67.47	417.29	1.99	-65.48
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872178	0	55	0.0	-65.70	429.79	2.04	-63.66
CC(C)[N@H+]1CCCC1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872178	1	55	0.0	-70.72	438.70	2.65	-68.07
CC(C)[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024872189	0	51	0.0	-69.67	403.53	1.54	-68.13
CC1CC[N@H+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024872207	0	49	0.0	-70.93	405.39	1.76	-69.17
CC1CC[N@@H+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024872207	1	49	0.0	-70.93	405.49	1.63	-69.30
CC1(C)CC[N@H+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024872211	0	52	0.0	-71.02	424.53	2.24	-68.78
CC1(C)CC[N@@H+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024872211	1	52	0.0	-70.98	424.94	2.26	-68.72
C[N@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024872212	0	54	0.0	-71.65	427.20	2.40	-69.25
C[N@@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024872212	1	54	0.0	-71.41	429.14	2.57	-68.84
CC[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024872220	0	48	0.0	-69.20	389.67	0.94	-68.26
CC1=[NH+]C=CN1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872390	1	44	0.0	-69.37	388.76	1.54	-67.83
CC(C[NH+]1CCOCC1)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872391	0	53	0.0	-74.85	428.06	0.51	-74.34
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300024872406	0	55	0.0	-73.87	444.85	3.16	-70.71
C[NH+](C)CC1=CC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024872418	1	48	0.0	-80.26	415.40	1.02	-79.24
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872447	1	50	0.0	-67.62	425.01	2.74	-64.88
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024872475	0	53	0.0	-68.19	413.28	2.19	-66.00
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024872475	1	53	0.0	-67.55	412.53	2.20	-65.35
CC[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024872489	1	50	0.0	-80.78	412.00	0.99	-79.79
CC[N@H+]1CCOC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024872489	1	50	0.0	-73.82	404.92	0.81	-73.01
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024872529	0	44	0.0	-73.89	384.98	3.07	-70.82
CC1=C[NH+]=CN1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872534	1	44	0.0	-72.05	389.12	2.36	-69.69
C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024872543	0	49	0.0	-73.85	396.26	1.24	-72.61
C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024872543	1	49	0.0	-73.72	400.96	1.61	-72.11
CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024872547	0	52	0.0	-73.74	416.39	1.58	-72.16
CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024872547	1	52	0.0	-73.69	418.40	1.95	-71.74
CC1CCC(C)[NH+]1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872558	0	52	0.0	-67.78	416.08	1.79	-65.99
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024872564	0	52	0.0	-73.60	427.58	2.37	-71.23
C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024872569	0	51	0.0	-78.82	426.83	2.58	-76.24
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024872570	0	52	0.0	-73.32	423.35	2.37	-70.95
CC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872575	0	52	0.0	-67.85	418.50	2.12	-65.73
CC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872575	1	52	0.0	-67.40	418.74	2.13	-65.27
C[NH+](C)C1(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024872608	0	55	0.0	-74.87	423.15	2.47	-72.40
C[N@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024872729	0	49	0.0	-69.63	405.46	2.00	-67.63
C[N@@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024872729	1	49	0.0	-69.89	405.59	1.93	-67.96
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024872746	0	55	0.0	-65.74	425.97	2.23	-63.51
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300024872758	0	55	0.0	-74.47	449.94	3.20	-71.27
C[NH+]1CCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024872769	0	49	0.0	-76.84	401.35	1.45	-75.39
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872804	0	46	0.0	-70.61	378.53	0.41	-70.20
C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872804	1	46	0.0	-69.14	382.90	0.96	-68.18
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872825	1	48	0.0	-68.76	405.06	1.71	-67.05
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872825	1	48	0.0	-69.27	408.21	2.07	-67.20
C[N@@H+]1CCCC1CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872830	0	52	0.0	-75.00	426.75	2.52	-72.48
C[N@H+]1CCCC1CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872830	1	52	0.0	-72.58	421.25	1.94	-70.64
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024872837	0	53	0.0	-73.34	409.32	1.77	-71.57
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024872840	0	53	0.0	-67.88	419.85	2.39	-65.49
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024872840	1	53	0.0	-66.82	426.28	2.77	-64.05
CCC[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024872902	0	55	0.0	-72.39	440.77	2.74	-69.65
CCC[N@H+]1CCCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024872902	1	55	0.0	-72.32	440.80	2.74	-69.58
CC(C)[N@@H+]1CCOC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024872916	0	53	0.0	-79.59	426.92	1.43	-78.16
CC(C)[N@H+]1CCOC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024872916	1	53	0.0	-71.92	421.78	1.33	-70.59
C[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872937	0	49	0.0	-69.89	389.77	1.13	-68.76
C[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872937	1	49	0.0	-69.11	400.53	1.57	-67.54
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872957	0	55	0.0	-68.55	441.32	2.96	-65.59
CC(C)C[N@H+]1CCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024872957	1	55	0.0	-69.79	437.28	2.60	-67.19
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300024872970	0	53	0.0	-74.67	432.76	-0.91	-75.58
CC1C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024873011	0	49	0.0	-74.48	396.55	1.24	-73.24
CC1C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024873011	1	49	0.0	-73.31	398.86	1.02	-72.29
C[N@@H+]1CCCCC1CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873013	0	55	0.0	-75.85	433.28	2.67	-73.18
C[N@H+]1CCCCC1CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873013	1	55	0.0	-75.80	433.29	2.65	-73.15
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873091	0	52	0.0	-68.85	420.82	1.63	-67.22
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873091	1	52	0.0	-68.66	420.81	1.75	-66.91
C[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024873109	0	45	0.0	-70.93	376.76	0.38	-70.55
C=CCC(C)(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024873123	0	52	0.0	-75.21	406.07	2.15	-73.06
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CC[NH+]2CCCC2)C1	REAL300024873143	0	49	0.0	-73.40	407.68	1.66	-71.74
C[N@H+](CCO)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873153	1	46	0.0	-72.52	387.44	-2.55	-75.07
C[N@@H+](CCO)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873153	1	46	0.0	-72.15	387.24	-2.55	-74.70
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024873186	0	52	0.0	-78.87	407.32	-0.80	-79.67
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024873186	1	52	0.0	-78.90	407.37	-0.83	-79.73
C[N@H+]1CC=C(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024873232	0	50	0.0	-72.67	418.44	2.26	-70.41
C[N@@H+]1CC=C(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024873232	1	50	0.0	-71.23	418.43	2.24	-68.99
C[S+](C)CCC(O)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873246	0	48	0.0	-76.98	422.14	-0.56	-77.54
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873264	0	50	0.0	-75.26	400.12	-2.22	-77.48
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873264	1	50	0.0	-77.16	399.10	-2.31	-79.47
CN1CC[N@H+](C)CC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024873274	0	54	0.0	-72.42	432.94	-0.08	-72.50
CN1CC[N@@H+](C)CC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024873274	1	54	0.0	-70.69	427.69	-0.50	-71.19
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024873275	0	53	0.0	-69.81	427.56	-0.92	-70.73
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300024873275	1	53	0.0	-69.13	429.73	-1.20	-70.33
C[N@@H+]1CCCC(O)(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024873303	0	53	0.0	-71.58	426.81	0.49	-71.09
C[N@H+]1CCCC(O)(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024873303	1	53	0.0	-68.43	429.60	0.40	-68.03
CC1C[NH+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024873307	1	46	0.0	-72.00	390.66	1.10	-70.90
CC[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024873313	0	52	0.0	-66.18	413.05	2.17	-64.01
CC[N@H+]1CCCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024873313	1	52	0.0	-66.99	412.37	2.22	-64.77
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024873329	0	50	0.0	-69.97	408.93	1.72	-68.25
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024873329	1	50	0.0	-67.28	415.97	2.38	-64.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024873364	0	50	0.0	-75.90	421.44	2.41	-73.49
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024873382	0	53	0.0	-74.15	426.16	2.66	-71.49
CC[N@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873420	0	45	0.0	-71.50	377.08	0.60	-70.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CN2CC3C=CC2C3)C1	REAL300024873465	0	48	0.0	-69.76	398.88	1.89	-67.87
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024873465	1	48	0.0	-68.39	398.29	1.76	-66.63
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024873465	1	48	0.0	-68.39	398.29	1.76	-66.63
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300024873536	0	49	0.0	-79.90	392.32	-1.73	-81.63
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024873571	0	53	0.0	-67.43	411.88	2.20	-65.23
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024873571	1	53	0.0	-67.43	411.88	2.20	-65.23
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024873577	0	51	0.0	-66.79	404.37	1.81	-64.98
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024873577	1	51	0.0	-66.79	404.37	1.81	-64.98
CC(OCC[NH+](C)C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873586	0	52	0.0	-72.06	432.56	1.64	-70.42
C[NH+](C)CCOCCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873594	0	52	0.0	-73.08	436.18	0.73	-72.35
COCCN(C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873596	0	49	0.0	-71.90	409.48	-0.15	-72.05
COCC[N@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873596	1	49	0.0	-72.56	409.69	-0.23	-72.79
COCC[N@@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873596	1	49	0.0	-72.56	409.69	-0.23	-72.79
CC(CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024873601	0	51	0.0	-72.98	416.70	1.68	-71.30
CC[N@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024873623	0	49	0.0	-69.01	405.74	1.96	-67.05
CC1C[N@@H+]2CCN1C(C(=O)N1CC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024873638	0	52	0.0	-72.08	402.52	-0.18	-72.26
C[N@@H+]1CC2CC1(C(=O)N1CC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024873660	0	47	0.0	-74.29	384.51	1.12	-73.17
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024873673	0	50	0.0	-68.99	403.32	1.82	-67.17
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024873673	1	50	0.0	-68.99	403.32	1.82	-67.17
CC(C[NH+](C)C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873692	0	48	0.0	-74.04	395.48	0.97	-73.07
CC[N@@H+]1CCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873736	0	46	0.0	-71.23	390.92	1.03	-70.20
CC(C)[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024873746	0	55	0.0	-66.36	428.97	2.73	-63.63
CC(C)[N@H+]1CCCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024873746	1	55	0.0	-66.36	428.97	2.73	-63.63
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873758	0	54	0.0	-70.69	423.96	0.65	-70.04
C#CCN1CCCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873797	0	51	0.0	-69.03	414.67	2.39	-66.64
C#CC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873797	1	51	0.0	-68.70	426.02	2.67	-66.03
C#CC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873797	1	51	0.0	-68.70	426.02	2.67	-66.03
CCCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024873808	0	51	0.0	-71.36	413.45	1.90	-69.46
C[NH+](C)C(C)(C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873815	0	48	0.0	-75.90	382.19	1.08	-74.82
CC(CC[NH+](C)C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873833	0	51	0.0	-74.54	417.04	1.59	-72.95
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024873890	0	51	0.0	-70.97	408.15	2.82	-68.15
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873919	0	52	0.0	-68.90	422.68	2.03	-66.87
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873919	1	52	0.0	-68.90	422.68	2.03	-66.87
C[NH+](C)CCCCCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873922	0	54	0.0	-75.11	446.21	2.86	-72.25
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300024873926	0	53	0.0	-77.12	433.98	-1.01	-78.13
CCC[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873930	0	55	0.0	-68.49	427.46	2.52	-65.97
CCC[N@H+]1CCCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024873930	1	55	0.0	-68.49	427.46	2.52	-65.97
CN1CCN(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024873939	0	51	0.0	-73.53	418.34	-0.60	-74.13
C[NH+]1CCN(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024873939	1	51	0.0	-73.53	418.34	-0.60	-74.13
CC1CN(C)CC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024874021	0	50	0.0	-84.08	413.45	0.98	-83.10
CC1C[N@H+](C)CC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024874021	1	50	0.0	-84.74	406.19	0.55	-84.19
CC1C[N@@H+](C)CC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024874021	1	50	0.0	-84.74	406.19	0.55	-84.19
CCC1CCC[N@H+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024874050	0	55	0.0	-71.80	433.29	2.99	-68.81
CCC1CCC[N@@H+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024874050	1	55	0.0	-71.80	433.29	2.99	-68.81
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024874071	0	47	0.0	-71.59	395.09	1.89	-69.70
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300024874082	0	53	0.0	-69.32	424.43	2.68	-66.64
C[N@@H+]1CCCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874115	0	49	0.0	-69.11	400.53	1.57	-67.54
C[N@@H+]1CCC(=CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024874214	0	47	0.0	-76.60	397.98	1.54	-75.06
C[N@H+]1CCC(=CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024874214	1	47	0.0	-76.50	397.97	1.54	-74.96
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024874219	0	45	0.0	-72.49	395.06	-0.80	-73.29
[N-]=[N+]=NCC(=O)N1CC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024874263	0	36	0.0	-26.47	336.34	-4.39	-30.86
CC[NH+]1CCN(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024874270	0	54	0.0	-72.55	435.96	0.06	-72.49
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300024874273	0	51	0.0	-69.99	415.61	2.33	-67.66
C[NH+](C)C1(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024874306	0	52	0.0	-75.28	401.89	1.62	-73.66
C[N@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024874314	0	53	0.0	-67.75	430.24	-0.67	-68.42
C[N@@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024874314	1	53	0.0	-70.65	430.34	-0.86	-71.51
CCC1C[NH+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024874317	0	49	0.0	-72.87	412.02	1.86	-71.01
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024874320	0	53	0.0	-71.47	418.99	2.28	-69.19
C[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874332	0	46	0.0	-69.41	384.49	0.91	-68.50
C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874332	1	46	0.0	-71.47	378.34	0.50	-70.97
CC[N@@H+]1CCOCC1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874354	0	53	0.0	-73.81	422.75	0.27	-73.54
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024874458	0	49	0.0	-74.28	409.10	1.73	-72.55
C[NH+](C)C1CCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024874469	0	55	0.0	-69.52	429.04	2.47	-67.05
C[NH+](C)CCC1(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024874470	0	52	0.0	-74.57	433.89	2.44	-72.13
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024874471	0	55	0.0	-69.62	428.97	2.49	-67.13
C[N@@H+]1CC=CCC1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874472	0	50	0.0	-75.45	410.58	1.97	-73.48
C[N@H+]1CC=CCC1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874472	1	50	0.0	-75.45	410.58	1.97	-73.48
C[NH+](C)CCOCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874524	0	49	0.0	-73.18	415.24	1.12	-72.06
CCCCC[N@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874529	0	57	0.0	-75.67	463.97	3.55	-72.12
CCCCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874529	1	57	0.0	-75.67	463.97	3.55	-72.12
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024874540	0	53	0.0	-74.27	435.58	1.81	-72.46
[NH2+]=C1SC=CN1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874563	0	42	0.0	-68.86	386.42	0.19	-68.67
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874628	0	52	0.0	-71.44	430.58	1.55	-69.89
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300024874659	0	55	0.0	-74.04	431.28	2.71	-71.33
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CCCCC2)C1	REAL300024874662	0	49	0.0	-71.11	401.09	1.79	-69.32
C[N@@H+]1CCCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024874664	0	49	0.0	-66.63	395.00	1.61	-65.02
C[N@H+]1CCCC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024874664	1	49	0.0	-73.47	401.64	1.33	-72.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300024874665	0	53	0.0	-74.67	432.76	-0.91	-75.58
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024874666	0	52	0.0	-71.00	410.43	1.99	-69.01
CN1C=C[N+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024874671	0	44	0.0	-70.36	390.59	3.53	-66.83
C[NH+](C)CC1=CC=C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024874686	1	49	0.0	-78.94	420.76	1.67	-77.27
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024874701	1	50	0.0	-75.88	412.17	-1.56	-77.44
C[N@@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024874705	1	46	0.0	-69.36	388.79	1.42	-67.94
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024874707	1	54	0.0	-73.46	427.75	-0.42	-73.88
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300024874709	1	49	0.0	-78.45	413.75	1.73	-76.72
COC1C[N@@H+](C)C(C)(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024874718	1	53	0.0	-76.79	421.54	0.10	-76.69
CCOCC(N=[N+]=[N-])C(=O)N1CC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024874726	0	46	0.0	-25.96	410.16	-3.57	-29.53
CC(CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024874734	0	51	0.0	-74.64	416.38	2.03	-72.61
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024874746	0	51	0.0	-76.18	417.72	0.16	-76.02
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024874746	1	51	0.0	-76.84	415.94	0.11	-76.73
CN1CCOCC1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874763	0	50	0.0	-78.16	409.95	-0.26	-78.42
C[N@@H+]1CCOCC1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874763	1	50	0.0	-78.12	409.99	-0.18	-78.30
C[N@H+]1CCOCC1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874763	1	50	0.0	-78.16	409.95	-0.26	-78.42
CC[NH+]1CCN(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024874771	0	54	0.0	-72.55	435.96	0.06	-72.49
CC1(O)CC[N@@H+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024874860	1	50	0.0	-72.07	415.56	-1.70	-73.77
C[NH+]1CC(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024874892	0	46	0.0	-73.74	390.64	0.76	-72.98
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024874896	0	53	0.0	-70.03	424.80	2.45	-67.58
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024874896	1	53	0.0	-71.69	430.14	2.77	-68.92
C[NH+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874904	0	42	0.0	-72.43	359.36	0.01	-72.42
C[N@H+](CCO)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874930	0	49	0.0	-73.89	409.80	-2.06	-75.95
C[N@@H+](CCO)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874930	1	49	0.0	-73.35	409.81	-1.99	-75.34
C[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024874931	0	45	0.0	-70.93	376.76	0.38	-70.55
C[N@@H+]1CCCCC1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874948	0	52	0.0	-66.31	411.11	2.06	-64.25
C[N@H+]1CCCCC1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874948	1	52	0.0	-74.64	418.59	2.10	-72.54
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024874965	0	49	0.0	-69.64	406.07	1.39	-68.25
CC1CC[N@H+]1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874969	1	46	0.0	-70.63	390.61	1.03	-69.60
C[NH+](C)CC=CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874980	0	46	0.0	-77.06	395.18	1.13	-75.93
CC1(C)C[NH+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024874991	1	49	0.0	-72.02	409.88	1.62	-70.40
CC1=C(C)[NH+]=C(CCC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024875006	1	50	0.0	-68.05	429.59	1.22	-66.83
C[NH+](C)CCSCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875023	0	49	0.0	-78.38	426.26	1.96	-76.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300024875046	1	50	0.0	-68.49	405.17	-1.55	-70.04
CC[NH+](CC)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875050	0	48	0.0	-69.96	395.46	1.36	-68.60
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CCC2)C1	REAL300024875061	1	43	0.0	-72.22	369.66	0.48	-71.74
CC[NH+](CC)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875101	0	51	0.0	-73.23	412.96	1.67	-71.56
C[NH+](C)CC1=CNC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024875158	0	50	0.0	-77.70	421.36	1.27	-76.43
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024875175	0	53	0.0	-71.37	424.34	-1.34	-72.71
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024875179	0	51	0.0	-72.56	414.56	0.22	-72.34
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024875179	1	51	0.0	-71.83	417.06	0.25	-71.58
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024875190	0	46	0.0	-69.79	381.31	0.66	-69.13
CCC(CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024875195	0	54	0.0	-77.51	434.29	2.55	-74.96
C[NH+](C)CC(C)(C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875203	0	51	0.0	-72.77	402.26	1.24	-71.53
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875255	0	49	0.0	-69.60	388.24	1.11	-68.49
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875255	1	49	0.0	-69.10	400.61	1.57	-67.53
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875269	0	52	0.0	-77.04	409.02	-1.26	-78.30
CC1CN2CC[N@H+]1CC2C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875269	1	52	0.0	-77.49	409.03	-1.28	-78.77
C[NH+](C)CC(O)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875289	0	49	0.0	-77.80	411.97	-0.91	-78.71
C[NH+]1C2CCC1CC(C(=O)N1CC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024875291	0	53	0.0	-70.27	396.64	2.12	-68.15
C=CCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024875321	0	49	0.0	-71.00	405.95	1.67	-69.33
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024875328	0	53	0.0	-72.59	426.36	2.65	-69.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024875328	1	53	0.0	-69.62	425.75	2.72	-66.90
C[NH+]1CCC(C)(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024875339	0	52	0.0	-71.98	410.22	1.53	-70.45
C[NH+]1CCC(O)(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024875341	0	53	0.0	-74.82	429.86	0.27	-74.55
NC(=[NH2+])SCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875365	0	40	0.0	-75.54	367.26	-3.12	-78.66
CC[N@@H+]1CCOCC1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875392	0	53	0.0	-77.26	427.16	0.53	-76.73
C[NH+](C)C1CCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024875405	0	55	0.0	-70.33	431.66	2.73	-67.60
C[NH+](C)CCC1(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024875406	0	52	0.0	-75.60	435.09	2.49	-73.11
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024875407	0	55	0.0	-71.72	431.58	2.73	-68.99
C[N@@H+]1CC=CCC1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875408	0	50	0.0	-76.63	410.61	2.09	-74.54
C[N@H+]1CC=CCC1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875408	1	50	0.0	-76.63	410.61	2.09	-74.54
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875429	0	52	0.0	-73.01	435.02	1.78	-71.23
C[NH+]1C2CCC1CC(C(=O)NCC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024875453	0	53	0.0	-72.17	402.28	2.49	-69.68
CCC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024875545	1	49	0.0	-75.21	412.03	1.89	-73.32
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024875547	0	53	0.0	-68.55	421.50	2.75	-65.80
C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875554	1	46	0.0	-73.17	379.36	0.59	-72.58
O=C(CC[N@@H+]1CCC(F)C1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875561	1	49	0.0	-79.63	413.40	1.80	-77.83
COC1C[N@@H+](C)C(C)(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024875569	1	53	0.0	-76.01	429.74	0.49	-75.52
O=C(CC[NH+]1CCCCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875576	0	55	0.0	-76.83	433.39	2.66	-74.17
O=C(C[NH+]1CCCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875578	0	49	0.0	-74.01	401.47	1.92	-72.09
CC1C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024875587	0	49	0.0	-72.65	400.46	1.27	-71.38
CC1C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024875587	1	49	0.0	-77.39	396.03	1.04	-76.35
C[N@@H+]1CCCCC1CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875589	0	55	0.0	-72.95	440.65	2.95	-70.00
C[N@H+]1CCCCC1CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875589	1	55	0.0	-76.42	433.26	2.77	-73.65
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024875611	0	51	0.0	-72.21	414.40	0.35	-71.86
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024875611	1	51	0.0	-72.06	414.55	0.36	-71.70
CN1CCOCC1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875628	0	50	0.0	-71.60	402.47	-0.40	-72.00
C[N@@H+]1CCOCC1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875628	1	50	0.0	-71.13	402.48	-0.29	-71.42
C[N@H+]1CCOCC1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875628	1	50	0.0	-71.60	402.47	-0.40	-72.00
CC1=C(C)[NH+]=C(CCC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024875635	1	50	0.0	-69.36	429.58	1.22	-68.14
CCOCC(N=[N+]=[N-])C(=O)NCC1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024875639	0	46	0.0	-24.98	411.30	-3.59	-28.57
C[NH+](C)CCSCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875709	0	49	0.0	-78.86	426.24	1.86	-77.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024875715	0	51	0.0	-73.61	417.78	0.42	-73.19
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024875715	1	51	0.0	-73.73	417.82	0.40	-73.33
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024875877	0	47	0.0	-65.46	377.23	2.57	-62.89
C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024875877	1	47	0.0	-65.50	378.60	2.87	-62.63
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876049	0	53	0.0	-63.55	403.56	4.07	-59.48
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876049	1	53	0.0	-64.00	413.02	4.04	-59.96
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876074	1	45	0.0	-65.03	387.51	3.74	-61.29
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1C[NH+]2CCC1CC2	REAL300024876095	0	51	0.0	-76.98	395.38	3.66	-73.32
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024876125	0	50	0.0	-73.70	394.05	3.04	-70.66
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024876125	1	50	0.0	-72.81	400.54	3.33	-69.48
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024876127	0	53	0.0	-71.60	410.58	3.62	-67.98
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024876127	1	53	0.0	-70.02	414.60	4.11	-65.91
CCN1CCOC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024876132	0	51	0.0	-79.16	409.07	3.05	-76.11
CC[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024876132	1	51	0.0	-73.37	408.21	3.01	-70.36
CC[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024876132	1	51	0.0	-79.16	409.07	3.05	-76.11
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876182	0	53	0.0	-64.49	415.02	4.00	-60.49
O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876185	0	53	0.0	-69.67	428.01	4.67	-65.00
O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876188	0	53	0.0	-69.67	422.11	4.57	-65.10
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876191	0	53	0.0	-63.74	404.05	3.84	-59.90
CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876191	1	53	0.0	-62.40	415.91	4.28	-58.12
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024876201	0	50	0.0	-72.19	385.78	3.00	-69.19
CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024876207	0	52	0.0	-67.74	401.13	3.55	-64.19
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024876228	0	50	0.0	-66.38	404.34	4.11	-62.27
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024876228	1	50	0.0	-67.36	404.24	4.09	-63.27
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876286	1	49	0.0	-67.08	403.53	3.85	-63.23
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876286	1	49	0.0	-66.63	406.54	4.22	-62.41
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876291	0	53	0.0	-72.43	425.47	4.63	-67.80
C[N@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876291	1	53	0.0	-69.38	420.02	4.17	-65.21
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024876307	0	50	0.0	-70.91	402.59	3.67	-67.24
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876338	0	50	0.0	-67.82	398.49	3.59	-64.23
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876338	1	50	0.0	-63.47	398.10	3.63	-59.84
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024876391	0	45	0.0	-73.95	392.68	5.48	-68.47
O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876397	1	51	0.0	-73.02	413.34	2.15	-70.87
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876410	1	45	0.0	-69.36	388.09	4.44	-64.92
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2	REAL300024876426	0	51	0.0	-63.68	394.48	3.49	-60.19
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024876433	0	50	0.0	-72.33	404.65	3.73	-68.60
C[N@H+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024876433	1	50	0.0	-70.43	404.41	3.74	-66.69
CCC(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024876440	0	49	0.0	-69.48	389.72	3.20	-66.28
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024876464	1	45	0.0	-73.36	392.76	5.52	-67.84
C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876489	0	52	0.0	-71.39	423.44	4.29	-67.10
CC(C)C(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024876501	0	52	0.0	-70.06	402.11	3.68	-66.38
CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876502	0	52	0.0	-70.95	419.74	4.09	-66.86
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876502	1	52	0.0	-70.71	419.67	4.11	-66.60
CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876505	0	49	0.0	-68.67	397.46	3.52	-65.15
CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876505	1	49	0.0	-68.80	397.56	3.51	-65.29
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C12CC[N@H+](C1)CCC2	REAL300024876518	0	51	0.0	-76.62	389.85	2.90	-73.72
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C12CC[N@@H+](C1)CCC2	REAL300024876518	1	51	0.0	-84.77	390.06	2.92	-81.85
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876542	0	47	0.0	-65.44	376.91	2.59	-62.85
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876542	1	47	0.0	-64.98	379.89	2.86	-62.12
CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876571	0	49	0.0	-67.39	389.68	3.21	-64.18
CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024876625	0	53	0.0	-68.73	420.87	4.58	-64.15
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024876645	0	50	0.0	-63.90	407.24	3.66	-60.24
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024876693	0	50	0.0	-70.91	402.59	3.67	-67.24
CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024876708	0	52	0.0	-64.99	402.17	3.61	-61.38
CCC(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024876736	0	55	0.0	-67.11	419.35	4.55	-62.56
CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876767	0	49	0.0	-70.31	398.17	3.37	-66.94
CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876767	1	49	0.0	-70.11	398.17	3.36	-66.75
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876791	0	50	0.0	-65.66	396.73	3.48	-62.18
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876791	1	50	0.0	-65.35	396.94	3.52	-61.83
CC1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024876792	0	50	0.0	-68.01	404.51	3.74	-64.27
CC1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024876792	1	50	0.0	-67.88	404.11	3.85	-64.03
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024876795	0	53	0.0	-67.75	423.35	4.34	-63.41
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024876795	1	53	0.0	-68.06	423.35	4.36	-63.70
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024876796	0	55	0.0	-68.50	426.32	4.49	-64.01
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024876796	1	55	0.0	-68.54	428.36	4.66	-63.88
CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024876803	0	49	0.0	-67.58	386.26	3.02	-64.56
C[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876888	0	43	0.0	-69.33	358.08	2.13	-67.20
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCCCC1	REAL300024876891	0	53	0.0	-67.61	409.26	4.15	-63.46
CN1C=C[N+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024876894	0	45	0.0	-65.81	389.31	5.63	-60.18
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024876898	0	50	0.0	-63.08	392.62	3.76	-59.32
C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024876898	1	50	0.0	-71.16	402.90	3.59	-67.57
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCC[N@@H+]1C1CC1	REAL300024876903	0	51	0.0	-68.20	409.36	4.04	-64.16
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCC[N@H+]1C1CC1	REAL300024876903	1	51	0.0	-64.06	408.69	4.04	-60.02
CC(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024876915	0	47	0.0	-75.09	385.21	2.96	-72.13
CCC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024876919	0	55	0.0	-70.71	429.58	4.61	-66.10
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876924	0	52	0.0	-75.92	398.26	3.17	-72.75
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(O)CC1	REAL300024876935	1	51	0.0	-72.40	411.12	0.61	-71.79
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024876936	0	47	0.0	-66.26	387.71	3.51	-62.75
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024876936	1	47	0.0	-66.21	387.52	3.51	-62.70
C[NH+]1CC(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024876950	0	47	0.0	-71.12	389.34	2.96	-68.16
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876960	0	53	0.0	-64.73	420.10	3.86	-60.87
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024876960	1	53	0.0	-64.43	398.36	3.02	-61.41
C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024876971	0	46	0.0	-67.78	374.47	2.47	-65.31
[N-]=[N+]=NCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NC(=O)NN1	REAL300024876978	0	37	0.0	-22.92	335.23	-2.30	-25.22
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877023	0	43	0.0	-63.84	385.35	2.33	-61.51
C[N@H+](CCO)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877028	0	50	0.0	-69.49	408.53	0.15	-69.34
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877028	1	50	0.0	-70.32	408.48	0.13	-70.19
C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024877029	0	46	0.0	-67.78	374.47	2.47	-65.31
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877032	0	50	0.0	-65.15	386.29	3.17	-61.98
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877032	1	50	0.0	-63.58	398.57	3.61	-59.97
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC1	REAL300024877077	1	44	0.0	-69.22	368.59	2.59	-66.63
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024877093	0	48	0.0	-72.98	396.49	3.61	-69.37
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024877093	1	48	0.0	-72.81	395.28	3.70	-69.11
C[NH+](C)CCOCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877113	0	50	0.0	-68.38	413.95	3.25	-65.13
C=CCC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024877125	0	53	0.0	-63.46	402.38	3.59	-59.87
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877143	0	51	0.0	-75.60	396.42	-0.28	-75.88
CC1C[NH+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024877160	1	47	0.0	-69.36	388.18	3.29	-66.07
C[N@H+](CCO)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877178	1	47	0.0	-69.91	386.41	-0.47	-70.38
C[N@@H+](CCO)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877178	1	47	0.0	-68.38	386.07	-0.46	-68.84
CC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024877197	0	53	0.0	-77.85	419.50	4.25	-73.60
CC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024877197	1	53	0.0	-68.25	408.72	4.21	-64.04
CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024877199	0	52	0.0	-71.29	415.55	4.13	-67.16
CC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877203	0	46	0.0	-68.49	376.00	2.82	-65.67
CC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877203	1	46	0.0	-68.63	376.22	2.75	-65.88
CC[N@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024877230	0	50	0.0	-65.17	407.49	4.14	-61.03
CC[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024877230	1	50	0.0	-65.91	404.32	4.13	-61.78
CC[NH+](CC)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877239	0	52	0.0	-69.38	416.02	4.08	-65.30
C[NH+]1CCC(=CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024877247	0	51	0.0	-69.90	410.96	4.38	-65.52
CC1(C)C[NH+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024877255	1	50	0.0	-68.52	408.64	3.68	-64.84
CC1(O)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024877272	0	51	0.0	-68.30	414.62	0.52	-67.78
CC1(O)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024877272	1	51	0.0	-67.76	414.27	0.49	-67.27
C[NH+](C)CC=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877275	0	47	0.0	-73.92	394.61	3.35	-70.57
CC(OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877283	0	53	0.0	-70.27	429.39	3.72	-66.55
C[NH+](C)CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877289	0	53	0.0	-70.18	434.89	2.95	-67.23
COCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877290	1	50	0.0	-68.00	408.37	1.93	-66.07
COCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877290	1	50	0.0	-70.03	408.66	1.93	-68.10
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024877309	0	53	0.0	-63.57	392.65	3.27	-60.30
CC(CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024877311	0	52	0.0	-69.59	415.44	3.87	-65.72
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877317	1	47	0.0	-66.11	381.98	2.82	-63.29
CC[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877317	1	47	0.0	-68.03	389.70	3.04	-64.99
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCCC1CO	REAL300024877328	0	51	0.0	-67.23	413.08	0.64	-66.59
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCCC1CO	REAL300024877328	1	51	0.0	-67.94	407.91	0.16	-67.78
C[NH+]1CCC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024877348	0	53	0.0	-71.34	404.96	3.62	-67.72
C=CCC(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024877365	0	50	0.0	-65.03	400.42	3.59	-61.44
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877372	0	53	0.0	-65.14	416.96	3.77	-61.37
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877372	1	53	0.0	-64.24	419.29	3.98	-60.26
C[NH+](C)CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877374	0	55	0.0	-71.04	444.94	5.07	-65.97
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC2CC2C1	REAL300024877379	0	48	0.0	-68.45	393.45	4.00	-64.45
CCCC(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024877392	0	52	0.0	-68.67	407.72	3.78	-64.89
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877395	0	49	0.0	-70.15	377.18	2.69	-67.46
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877419	0	50	0.0	-67.82	398.49	3.59	-64.23
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877419	1	50	0.0	-63.47	398.10	3.63	-59.84
C[N@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024877440	0	51	0.0	-69.43	417.48	4.45	-64.98
C[N@@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024877440	1	51	0.0	-68.05	417.41	4.44	-63.61
O=C(C=CC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877472	0	51	0.0	-72.08	419.19	4.47	-67.61
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024877500	0	47	0.0	-66.17	380.90	2.52	-63.65
O=C(CC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877501	0	50	0.0	-69.75	405.42	3.80	-65.95
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1C[NH+]2CCN1CC2	REAL300024877523	0	50	0.0	-77.76	390.34	0.27	-77.49
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3C[C@H]1CN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024877527	0	48	0.0	-67.18	379.79	3.34	-63.84
C[N@H+]1CC2CC1(C(=O)N1C[C@@H]3C[C@H]1CN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024877527	1	48	0.0	-69.63	385.68	3.38	-66.25
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC2CCC1C2	REAL300024877532	0	51	0.0	-66.24	404.92	4.20	-62.04
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC2CCC1C2	REAL300024877532	1	51	0.0	-66.29	403.01	4.05	-62.24
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024877570	1	49	0.0	-66.81	397.59	4.10	-62.71
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC2C=CC1C2	REAL300024877570	1	49	0.0	-66.60	397.48	4.09	-62.51
CC(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877601	0	49	0.0	-68.86	397.22	3.26	-65.60
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877642	0	53	0.0	-65.01	410.04	4.18	-60.83
C[N@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877642	1	53	0.0	-71.34	417.37	4.32	-67.02
CC(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024877651	0	50	0.0	-65.00	406.73	3.65	-61.35
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877653	1	47	0.0	-66.88	389.38	3.26	-63.62
CC1CC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877653	1	47	0.0	-68.02	389.41	3.21	-64.81
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877655	0	50	0.0	-73.46	410.77	1.16	-72.30
CC1C[N@H+](C)CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024877674	1	51	0.0	-79.05	405.14	3.13	-75.92
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024877674	1	51	0.0	-77.24	404.79	2.97	-74.27
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024877713	0	50	0.0	-72.07	408.03	3.83	-68.24
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877717	0	52	0.0	-69.00	418.85	3.88	-65.12
C[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024877733	1	52	0.0	-70.68	417.31	1.60	-69.08
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877903	0	47	0.0	-65.46	377.23	2.57	-62.89
C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024877903	1	47	0.0	-65.50	378.60	2.87	-62.63
O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878078	1	51	0.0	-73.02	413.34	2.15	-70.87
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2	REAL300024878087	0	51	0.0	-63.68	394.48	3.49	-60.19
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024878090	1	45	0.0	-73.36	392.76	5.52	-67.84
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024878113	0	50	0.0	-72.33	404.65	3.73	-68.60
C[N@H+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024878113	1	50	0.0	-70.43	404.41	3.74	-66.69
CCC(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024878120	0	49	0.0	-69.48	389.72	3.20	-66.28
C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878153	0	52	0.0	-71.39	423.44	4.29	-67.10
CC(C)C(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024878167	0	52	0.0	-70.06	402.11	3.68	-66.38
CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878168	0	52	0.0	-70.95	419.74	4.09	-66.86
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878168	1	52	0.0	-70.71	419.67	4.11	-66.60
CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878171	0	49	0.0	-68.67	397.46	3.52	-65.15
CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878171	1	49	0.0	-68.80	397.56	3.51	-65.29
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C12CC[N@H+](C1)CCC2	REAL300024878184	0	51	0.0	-76.62	389.85	2.90	-73.72
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C12CC[N@@H+](C1)CCC2	REAL300024878184	1	51	0.0	-84.77	390.06	2.92	-81.85
CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024878212	0	53	0.0	-68.73	420.87	4.58	-64.15
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024878250	0	50	0.0	-63.90	407.24	3.66	-60.24
CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878268	0	49	0.0	-70.31	398.17	3.37	-66.94
CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878268	1	49	0.0	-70.11	398.17	3.36	-66.75
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1C[NH+]2CCC1CC2	REAL300024878280	0	51	0.0	-76.98	395.38	3.66	-73.32
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024878321	0	50	0.0	-70.91	402.59	3.67	-67.24
CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024878336	0	52	0.0	-64.99	402.17	3.61	-61.38
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024878400	0	50	0.0	-72.19	385.78	3.00	-69.19
CCC(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024878428	0	55	0.0	-67.11	419.35	4.55	-62.56
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878437	0	50	0.0	-65.66	396.73	3.48	-62.18
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878437	1	50	0.0	-65.35	396.94	3.52	-61.83
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878473	0	53	0.0	-63.55	403.56	4.07	-59.48
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878473	1	53	0.0	-64.00	413.02	4.04	-59.96
CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024878480	0	52	0.0	-67.74	401.13	3.55	-64.19
CC1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024878493	0	50	0.0	-68.01	404.51	3.74	-64.27
CC1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024878493	1	50	0.0	-67.88	404.11	3.85	-64.03
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024878496	0	53	0.0	-67.75	423.35	4.34	-63.41
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024878496	1	53	0.0	-68.06	423.35	4.36	-63.70
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024878497	0	55	0.0	-68.50	426.32	4.49	-64.01
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024878497	1	55	0.0	-68.54	428.36	4.66	-63.88
CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024878504	0	49	0.0	-67.58	386.26	3.02	-64.56
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878593	1	45	0.0	-65.03	387.51	3.74	-61.29
CC[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024878641	1	51	0.0	-73.37	408.21	3.01	-70.36
CC[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024878641	1	51	0.0	-79.16	409.07	3.05	-76.11
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024878664	0	45	0.0	-73.95	392.68	5.48	-68.47
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878667	1	45	0.0	-69.36	388.09	4.44	-64.92
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024878672	0	50	0.0	-73.70	394.05	3.04	-70.66
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024878672	1	50	0.0	-72.81	400.54	3.33	-69.48
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024878674	0	53	0.0	-71.60	410.58	3.62	-67.98
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024878674	1	53	0.0	-70.02	414.60	4.11	-65.91
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878680	0	53	0.0	-64.49	415.02	4.00	-60.49
O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878683	0	53	0.0	-69.67	428.01	4.67	-65.00
O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878687	0	53	0.0	-69.67	422.11	4.57	-65.10
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878690	0	53	0.0	-63.74	404.05	3.84	-59.90
CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878690	1	53	0.0	-62.40	415.91	4.28	-58.12
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024878774	0	50	0.0	-66.38	404.34	4.11	-62.27
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024878774	1	50	0.0	-67.36	404.24	4.09	-63.27
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024878799	0	50	0.0	-70.91	402.59	3.67	-67.24
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878824	0	47	0.0	-65.44	376.91	2.59	-62.85
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878824	1	47	0.0	-64.98	379.89	2.86	-62.12
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878841	1	49	0.0	-67.08	403.53	3.85	-63.23
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878841	1	49	0.0	-66.63	406.54	4.22	-62.41
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878846	0	53	0.0	-72.43	425.47	4.63	-67.80
C[N@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878846	1	53	0.0	-69.38	420.02	4.17	-65.21
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878911	0	50	0.0	-67.82	398.49	3.59	-64.23
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024878911	1	50	0.0	-63.47	398.10	3.63	-59.84
CC1C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024878963	0	50	0.0	-69.80	395.46	3.17	-66.63
CC1C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024878963	1	50	0.0	-71.26	399.36	3.64	-67.62
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879015	0	53	0.0	-64.73	420.10	3.86	-60.87
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879015	1	53	0.0	-64.43	398.36	3.02	-61.41
C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024879029	0	46	0.0	-67.78	374.47	2.47	-65.31
C=CCC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024879042	0	53	0.0	-63.46	402.38	3.59	-59.87
O=C(CC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879056	0	50	0.0	-69.75	405.42	3.80	-65.95
C[N@H+](CCO)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879065	1	47	0.0	-69.91	386.41	-0.47	-70.38
C[N@@H+](CCO)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879065	1	47	0.0	-68.38	386.07	-0.46	-68.84
C[N@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024879114	0	51	0.0	-69.43	417.48	4.45	-64.98
C[N@@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024879114	1	51	0.0	-68.05	417.41	4.44	-63.61
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879132	0	51	0.0	-67.00	394.69	-0.30	-67.30
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879132	1	51	0.0	-75.60	396.42	-0.28	-75.88
CC1C[NH+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024879158	1	47	0.0	-69.36	388.18	3.29	-66.07
CC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024879164	0	53	0.0	-77.85	419.50	4.25	-73.60
CC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024879164	1	53	0.0	-68.25	408.72	4.21	-64.04
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCC[N@@H+]1C1CC1	REAL300024879175	0	51	0.0	-68.20	409.36	4.04	-64.16
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCC[N@H+]1C1CC1	REAL300024879175	1	51	0.0	-64.06	408.69	4.04	-60.02
O=C(C=CC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879196	0	51	0.0	-72.08	419.19	4.47	-67.61
CC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879237	0	46	0.0	-68.63	376.22	2.75	-65.88
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CC2C=CC1C2	REAL300024879268	0	49	0.0	-66.81	397.59	4.10	-62.71
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024879268	1	49	0.0	-66.60	397.48	4.09	-62.51
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC2C=CC1C2	REAL300024879268	1	49	0.0	-66.60	397.48	4.09	-62.51
CC(OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879342	0	53	0.0	-70.27	429.39	3.72	-66.55
C[NH+](C)CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879349	0	53	0.0	-70.18	434.89	2.95	-67.23
COCCN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879351	0	50	0.0	-68.00	408.37	1.93	-66.07
COCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879351	1	50	0.0	-70.03	408.66	1.93	-68.10
COCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879351	1	50	0.0	-70.03	408.66	1.93	-68.10
CC(CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024879354	0	52	0.0	-69.59	415.44	3.87	-65.72
CC[N@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024879368	0	50	0.0	-65.91	404.32	4.13	-61.78
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3C[C@H]1CN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024879393	0	48	0.0	-69.63	385.68	3.38	-66.25
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC2CCC1C2	REAL300024879400	0	51	0.0	-66.29	403.01	4.05	-62.24
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC2CCC1C2	REAL300024879400	1	51	0.0	-66.29	403.01	4.05	-62.24
CC(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879414	0	49	0.0	-68.86	397.22	3.26	-65.60
CCN1CCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879444	0	47	0.0	-66.11	381.98	2.82	-63.29
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879444	1	47	0.0	-68.03	389.70	3.04	-64.99
CC[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879444	1	47	0.0	-68.03	389.70	3.04	-64.99
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879452	0	55	0.0	-66.14	422.35	2.59	-63.55
CCCC(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024879483	0	52	0.0	-68.67	407.72	3.78	-64.89
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879487	0	49	0.0	-70.15	377.18	2.69	-67.46
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879500	0	52	0.0	-69.00	418.85	3.88	-65.12
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879550	0	53	0.0	-64.24	419.29	3.98	-60.26
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879550	1	53	0.0	-64.24	419.29	3.98	-60.26
C[NH+](C)CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879552	0	55	0.0	-71.04	444.94	5.07	-65.97
CN1CCN(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024879559	0	52	0.0	-70.68	417.31	1.60	-69.08
C[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024879559	1	52	0.0	-70.68	417.31	1.60	-69.08
CC1CN(C)CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024879605	0	51	0.0	-79.05	405.14	3.13	-75.92
CC1C[N@H+](C)CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024879605	1	51	0.0	-77.24	404.79	2.97	-74.27
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024879605	1	51	0.0	-77.24	404.79	2.97	-74.27
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC2CC2C1	REAL300024879632	0	48	0.0	-68.45	393.45	4.00	-64.45
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879651	0	50	0.0	-63.47	398.10	3.63	-59.84
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024879712	0	48	0.0	-72.81	395.28	3.70	-69.11
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024879712	1	48	0.0	-72.81	395.28	3.70	-69.11
O=C(CNC1=CC=[NH+]C=C1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879714	0	46	0.0	-68.63	393.79	1.39	-67.24
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024879765	0	53	0.0	-63.57	392.65	3.27	-60.30
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879783	0	47	0.0	-69.50	376.80	2.62	-66.88
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879783	1	47	0.0	-69.50	376.80	2.62	-66.88
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024879865	0	50	0.0	-72.07	408.03	3.83	-68.24
C[NH+](C)CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024879873	0	53	0.0	-76.64	428.49	4.42	-72.22
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879874	0	51	0.0	-61.93	404.44	4.10	-57.83
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879874	1	51	0.0	-61.93	404.44	4.10	-57.83
C[NH+](C)CCOCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879903	0	50	0.0	-68.38	413.95	3.25	-65.13
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879928	0	43	0.0	-63.84	385.35	2.33	-61.51
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024879961	0	53	0.0	-75.42	428.43	3.57	-71.85
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCCC1	REAL300024879986	0	50	0.0	-68.16	400.22	4.00	-64.16
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024879987	0	50	0.0	-63.08	392.62	3.76	-59.32
C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024879987	1	50	0.0	-71.16	402.90	3.59	-67.57
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCCCC1	REAL300024879988	0	53	0.0	-67.61	409.26	4.15	-63.46
CN1C=C[N+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024879991	0	45	0.0	-65.81	389.31	5.63	-60.18
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(O)CC1	REAL300024880010	1	51	0.0	-72.40	411.12	0.61	-71.79
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024880011	1	47	0.0	-66.21	387.52	3.51	-62.70
O=C(CC[N@@H+]1CCC(F)C1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880014	1	50	0.0	-74.36	412.62	3.92	-70.44
CCOCC(N=[N+]=[N-])C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NC(=O)NN1	REAL300024880029	0	47	0.0	-23.12	407.92	-1.72	-24.84
CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024880033	0	52	0.0	-71.29	415.55	4.13	-67.16
CN1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880052	0	51	0.0	-64.02	401.17	1.80	-62.22
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880052	1	51	0.0	-74.02	408.91	1.93	-72.09
C[N@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880052	1	51	0.0	-64.02	401.17	1.80	-62.22
CC1(O)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024880115	1	51	0.0	-67.76	414.27	0.49	-67.27
C[NH+]1CC(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024880138	0	47	0.0	-71.12	389.34	2.96	-68.16
C[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880147	0	43	0.0	-69.33	358.08	2.13	-67.20
C[N@H+](CCO)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880162	0	50	0.0	-69.49	408.53	0.15	-69.34
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880162	1	50	0.0	-70.32	408.48	0.13	-70.19
C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024880163	0	46	0.0	-67.78	374.47	2.47	-65.31
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880177	0	53	0.0	-65.01	410.04	4.18	-60.83
C[N@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880177	1	53	0.0	-71.34	417.37	4.32	-67.02
CC(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024880187	0	50	0.0	-65.00	406.73	3.65	-61.35
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880189	1	47	0.0	-66.88	389.38	3.26	-63.62
CC1CC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880189	1	47	0.0	-68.02	389.41	3.21	-64.81
C[NH+](C)CC=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880195	0	47	0.0	-73.92	394.61	3.35	-70.57
CC1(C)C[NH+](CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024880201	1	50	0.0	-68.52	408.64	3.68	-64.84
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCCC1CO	REAL300024880236	0	51	0.0	-67.23	413.08	0.64	-66.59
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCCC1CO	REAL300024880236	1	51	0.0	-67.94	407.91	0.16	-67.78
CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880240	0	49	0.0	-67.39	389.68	3.21	-64.18
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC1	REAL300024880249	1	44	0.0	-69.22	368.59	2.59	-66.63
CC[NH+](CC)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880277	0	52	0.0	-69.38	416.02	4.08	-65.30
CC(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024880329	0	47	0.0	-75.09	385.21	2.96	-72.13
CCC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024880334	0	55	0.0	-70.71	429.58	4.61	-66.10
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880339	0	52	0.0	-75.92	398.26	3.17	-72.75
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880371	0	50	0.0	-65.15	386.29	3.17	-61.98
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880371	1	50	0.0	-63.58	398.57	3.61	-59.97
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880392	0	50	0.0	-73.46	410.77	1.16	-72.30
C=CCC(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024880413	0	50	0.0	-65.03	400.42	3.59	-61.44
C[NH+]1CCC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024880425	0	53	0.0	-71.34	404.96	3.62	-67.72
NC(=[NH2+])SCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880446	0	41	0.0	-70.40	365.99	-0.89	-71.29
C[NH+](C)CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024880470	0	53	0.0	-76.64	428.49	4.42	-72.22
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880471	0	51	0.0	-70.86	409.27	4.18	-66.68
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880471	1	51	0.0	-61.93	404.44	4.10	-57.83
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880481	0	53	0.0	-75.42	428.43	3.57	-71.85
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880561	0	47	0.0	-69.50	376.80	2.62	-66.88
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880561	1	47	0.0	-69.50	376.80	2.62	-66.88
O=C(CC[N@H+]1CCC(F)C1)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880567	0	50	0.0	-74.36	412.62	3.92	-70.44
CC1C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024880586	0	50	0.0	-71.26	399.36	3.64	-67.62
CC1C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024880586	1	50	0.0	-71.26	399.36	3.64	-67.62
CN1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880615	0	51	0.0	-74.02	408.91	1.93	-72.09
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880615	1	51	0.0	-64.02	401.17	1.80	-62.22
C[N@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024880615	1	51	0.0	-64.02	401.17	1.80	-62.22
C[N@@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024880829	0	46	0.0	-73.86	373.06	0.70	-73.16
CN1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024880853	0	47	0.0	-80.01	383.36	0.45	-79.56
C[N@@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024880853	1	47	0.0	-88.00	391.48	0.60	-87.40
C[N@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024880853	1	47	0.0	-88.00	391.48	0.60	-87.40
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024881009	0	55	0.0	-70.83	424.18	2.56	-68.27
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881011	0	55	0.0	-66.58	426.27	2.67	-63.91
CC(C)[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881011	1	55	0.0	-66.58	426.27	2.67	-63.91
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881031	0	52	0.0	-68.48	412.03	2.26	-66.22
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881031	1	52	0.0	-68.48	412.03	2.26	-66.22
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024881047	0	53	0.0	-74.03	420.58	2.87	-71.16
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024881047	1	53	0.0	-74.03	420.58	2.87	-71.16
CC(C)C1=NC=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881065	0	50	0.0	-68.44	418.70	2.91	-65.53
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881065	1	50	0.0	-68.44	418.70	2.91	-65.53
CC1=NC=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881090	0	44	0.0	-69.61	381.55	1.73	-67.88
CC1=[NH+]C=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881090	1	44	0.0	-69.61	381.55	1.73	-67.88
O=C(CCC[NH+]1CCCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881106	0	55	0.0	-75.91	439.61	3.39	-72.52
CC(C)(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024881120	0	55	0.0	-74.00	422.68	3.14	-70.86
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024881128	0	50	0.0	-80.94	394.36	1.95	-78.99
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024881163	0	53	0.0	-70.81	410.06	2.72	-68.09
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024881163	1	53	0.0	-69.21	409.71	2.74	-66.47
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024881173	0	49	0.0	-77.36	391.64	1.35	-76.01
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024881173	1	49	0.0	-76.54	395.91	1.41	-75.13
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024881177	0	52	0.0	-75.63	409.60	1.84	-73.79
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024881177	1	52	0.0	-74.92	414.98	2.38	-72.54
CC[N@@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024881186	1	50	0.0	-80.80	408.27	1.26	-79.54
CC[N@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024881186	1	50	0.0	-75.36	402.02	1.10	-74.26
CC[NH+](CC)CC(F)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881225	0	51	0.0	-76.28	411.24	1.77	-74.51
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881284	0	52	0.0	-73.22	401.75	1.76	-71.46
O=C(CCC[NH+]1CCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881290	0	52	0.0	-75.52	423.94	2.68	-72.84
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024881294	0	51	0.0	-80.43	423.71	3.04	-77.39
O=C(CC[NH+]1CCCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881295	0	52	0.0	-74.26	417.11	2.58	-71.68
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881299	0	52	0.0	-71.21	413.75	2.42	-68.79
CC[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881299	1	52	0.0	-71.72	404.46	2.23	-69.49
CC(C)C[N@@H+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024881311	0	55	0.0	-72.16	437.60	3.13	-69.03
CC(C)C[N@H+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024881311	1	55	0.0	-73.74	437.75	3.08	-70.66
C[NH+](C)C1(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024881314	0	49	0.0	-69.58	387.44	1.78	-67.80
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881316	0	55	0.0	-68.77	424.94	2.29	-66.48
CC(C)[N@H+]1CCCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881316	1	55	0.0	-73.46	433.56	2.79	-70.67
CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024881327	0	51	0.0	-72.85	402.25	2.35	-70.50
C[N@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024881364	0	49	0.0	-71.03	399.27	2.15	-68.88
C[N@@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024881364	1	49	0.0	-71.67	399.28	2.16	-69.51
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024881408	0	55	0.0	-67.34	423.10	2.34	-65.00
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881459	1	48	0.0	-72.00	399.67	1.92	-70.08
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881459	1	48	0.0	-73.22	406.48	2.44	-70.78
C[N@@H+]1CCCC1CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881464	0	52	0.0	-73.72	415.82	2.19	-71.53
C[N@H+]1CCCC1CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881464	1	52	0.0	-78.05	417.69	2.51	-75.54
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024881471	0	53	0.0	-74.78	411.49	2.34	-72.44
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024881474	0	53	0.0	-72.34	414.89	2.61	-69.73
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024881474	1	53	0.0	-68.37	420.90	3.10	-65.27
O=C(CCCC[NH+]1CCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881489	0	55	0.0	-76.20	445.44	3.46	-72.74
C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024881500	0	49	0.0	-78.99	398.67	1.81	-77.18
C[NH+](C)CC1=CC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024881529	1	48	0.0	-81.30	413.22	1.18	-80.12
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881553	0	49	0.0	-71.02	395.04	1.76	-69.26
C[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881553	1	49	0.0	-68.75	395.01	1.76	-66.99
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881572	0	55	0.0	-73.12	418.13	2.99	-70.13
CC(C)C[N@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881572	1	55	0.0	-73.95	428.36	3.40	-70.55
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024881657	0	44	0.0	-75.61	384.14	3.67	-71.94
CC1=[NH+]C=CN1CCCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881663	1	50	0.0	-72.38	425.09	3.06	-69.32
O=C(CC[NH+]1CCOCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881667	1	50	0.0	-79.42	409.38	0.15	-79.27
CC1=C[NH+]=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881692	1	44	0.0	-73.37	382.82	2.50	-70.87
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024881724	0	50	0.0	-76.27	398.59	2.15	-74.12
C[NH+](C)C1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024881744	0	55	0.0	-72.47	431.88	3.00	-69.47
C[N@@H+]1CCC(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024881746	0	49	0.0	-76.78	399.56	1.74	-75.04
C[N@H+]1CCC(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024881746	1	49	0.0	-75.20	399.37	1.77	-73.43
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881757	0	48	0.0	-83.75	404.83	0.94	-82.81
CCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024881762	0	48	0.0	-72.01	384.39	1.17	-70.84
C[NH+](C)C1(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024881772	0	55	0.0	-78.31	417.98	2.57	-75.74
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024881806	1	44	0.0	-80.82	384.55	3.65	-77.17
C[NH+](C)CCCCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881851	0	51	0.0	-77.35	419.33	2.31	-75.04
CC(C)C(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024881869	0	51	0.0	-69.97	402.69	2.21	-67.76
CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881871	0	51	0.0	-77.29	415.71	2.11	-75.18
CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881871	1	51	0.0	-77.25	415.71	2.09	-75.16
CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881876	0	48	0.0	-73.41	392.28	1.58	-71.83
CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881876	1	48	0.0	-73.52	392.28	1.59	-71.93
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024881896	0	50	0.0	-83.28	395.32	1.49	-81.79
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024881896	1	50	0.0	-81.49	394.27	1.51	-79.98
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881928	0	46	0.0	-72.88	374.03	0.71	-72.17
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881928	1	46	0.0	-71.30	379.06	1.23	-70.07
CCCCCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881975	0	57	0.0	-74.66	456.78	3.92	-70.74
CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881975	1	57	0.0	-74.74	456.78	3.92	-70.82
CC[NH+](CC)C(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024881978	0	57	0.0	-68.82	433.97	3.26	-65.56
CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881986	0	48	0.0	-73.37	385.70	1.23	-72.14
CCC[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882017	0	55	0.0	-74.20	437.84	3.17	-71.03
CCC[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882017	1	55	0.0	-67.86	430.55	3.38	-64.48
CC(C)[N@@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882031	1	53	0.0	-78.23	418.92	1.59	-76.64
CC(C)[N@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882031	1	53	0.0	-81.23	425.00	1.78	-79.45
CC1CC[NH+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024882058	0	52	0.0	-73.81	415.66	2.64	-71.17
C[NH+]1CCC(OCC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024882081	0	53	0.0	-81.63	434.06	2.24	-79.39
C[NH+](C)CC1(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024882091	0	49	0.0	-70.67	406.61	1.93	-68.74
CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024882154	0	55	0.0	-73.98	428.39	2.76	-71.22
C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024882170	0	49	0.0	-78.99	398.67	1.81	-77.18
CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024882188	0	51	0.0	-69.93	402.62	2.21	-67.72
CCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024882218	0	54	0.0	-66.69	419.17	2.46	-64.23
CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882268	0	48	0.0	-76.48	394.21	1.37	-75.11
CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882268	1	48	0.0	-76.44	394.21	1.35	-75.09
CC1CCC[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882317	0	49	0.0	-71.79	400.18	1.80	-69.99
CC1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882317	1	49	0.0	-71.47	392.85	1.52	-69.95
CC1CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882319	0	49	0.0	-72.54	398.38	1.85	-70.69
CC1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882319	1	49	0.0	-74.45	399.35	1.92	-72.53
CC1(C)CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882323	0	52	0.0	-74.23	419.05	2.40	-71.83
CC1(C)CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882323	1	52	0.0	-74.64	419.72	2.40	-72.24
C[N@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024882324	0	54	0.0	-73.02	422.68	2.66	-70.36
C[N@@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024882324	1	54	0.0	-73.35	422.83	2.72	-70.63
CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024882332	0	48	0.0	-72.49	384.45	1.17	-71.32
C[NH+]1CCC(O)(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024882474	0	53	0.0	-75.64	424.65	0.45	-75.19
C[NH+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882485	0	42	0.0	-75.22	354.11	0.14	-75.08
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882489	1	53	0.0	-75.07	426.48	-0.67	-75.74
O=C(C[NH+]1CCCCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882490	0	52	0.0	-72.47	404.13	2.22	-70.25
CN1C=C[N+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024882494	0	44	0.0	-71.63	384.30	3.67	-67.96
C[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882500	0	49	0.0	-75.09	398.63	1.78	-73.31
C[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882500	1	49	0.0	-68.66	392.28	1.99	-66.67
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024882505	0	50	0.0	-69.88	411.55	2.67	-67.21
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024882505	1	50	0.0	-69.77	406.41	2.55	-67.22
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024882529	1	46	0.0	-72.49	384.30	1.12	-71.37
CCC(CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024882533	0	54	0.0	-74.97	424.56	2.64	-72.33
C[NH+](C)CC(C)(C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882540	0	51	0.0	-73.26	402.89	1.89	-71.37
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024882555	0	51	0.0	-73.14	417.97	2.55	-70.59
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024882555	1	51	0.0	-73.75	407.47	3.15	-70.60
O=C(C[NH+]1CCC(O)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882563	1	50	0.0	-77.38	405.89	-1.32	-78.70
C[N@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024882564	0	46	0.0	-70.34	382.35	1.56	-68.78
C[N@@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024882564	1	46	0.0	-71.23	382.47	1.57	-69.66
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024882565	1	54	0.0	-73.38	426.40	-0.02	-73.40
C[NH+]1CC(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882583	0	46	0.0	-76.25	385.40	0.97	-75.28
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024882587	0	53	0.0	-71.84	419.05	2.65	-69.19
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024882587	1	53	0.0	-72.14	418.50	2.61	-69.53
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882595	0	52	0.0	-71.49	415.57	1.85	-69.64
CC(C)(C)[N@H+]1CCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882595	1	52	0.0	-71.34	399.92	1.27	-70.07
C[C@@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024882606	0	45	0.0	-72.54	371.16	0.56	-71.98
[N-]=[N+]=NCC(=O)N[C@H]1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024882613	0	36	0.0	-26.51	331.07	-4.26	-30.77
CCC1CCC[N@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882638	0	55	0.0	-73.69	434.07	3.28	-70.41
CCC1CCC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882638	1	55	0.0	-72.95	427.53	2.83	-70.12
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024882645	0	50	0.0	-87.43	420.61	1.59	-85.84
[NH2+]=C1SC=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882687	0	42	0.0	-70.22	380.13	0.35	-69.87
C[N@H+](CCO)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882697	0	49	0.0	-75.98	404.56	-1.86	-77.84
C[N@@H+](CCO)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882697	1	49	0.0	-75.95	404.51	-1.86	-77.81
C[C@@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024882698	0	45	0.0	-72.54	371.16	0.56	-71.98
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882702	0	49	0.0	-71.81	386.69	1.59	-70.22
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882702	1	49	0.0	-70.47	396.05	1.75	-68.72
CC1CN2CC[N@@H+]1CC2C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882710	0	52	0.0	-79.76	405.92	-0.85	-80.61
CC1CN2CC[N@H+]1CC2C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882710	1	52	0.0	-77.16	406.86	-0.87	-78.03
O=C(C[NH+]1CCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882772	1	43	0.0	-73.38	363.16	0.59	-72.79
C[N@@H+]1CCC(=CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882797	0	47	0.0	-77.92	391.88	1.74	-76.18
C[N@H+]1CCC(=CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882797	1	47	0.0	-78.05	392.01	1.72	-76.33
C[NH+](C)CCOCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882828	0	49	0.0	-74.23	409.99	1.20	-73.03
CCCCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882833	0	57	0.0	-78.29	458.70	3.67	-74.62
CCCCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882833	1	57	0.0	-78.26	458.70	3.65	-74.61
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024882842	0	53	0.0	-74.45	432.00	2.08	-72.37
C=CCC(C)(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024882849	0	52	0.0	-67.09	408.38	2.23	-64.86
C[S+](C)CCC(O)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882853	0	48	0.0	-75.73	417.89	-0.20	-75.93
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882878	0	50	0.0	-81.62	400.86	-1.43	-83.05
CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882888	0	54	0.0	-71.83	425.24	-0.08	-71.91
CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882888	1	54	0.0	-71.83	425.24	-0.08	-71.91
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024882889	0	53	0.0	-72.08	422.95	-0.72	-72.80
O=C(CN1CCC(CO)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882897	0	53	0.0	-75.07	426.48	-0.67	-75.74
O=C(C[NH+]1CCC(CO)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882897	1	53	0.0	-75.07	426.48	-0.67	-75.74
C[N@@H+]1CCCC(O)(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882906	0	53	0.0	-73.06	410.87	0.39	-72.67
C[N@H+]1CCCC(O)(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882906	1	53	0.0	-73.06	410.87	0.39	-72.67
CC1CN(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882909	0	46	0.0	-73.57	384.35	1.25	-72.32
CC1C[NH+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882909	1	46	0.0	-73.57	384.35	1.25	-72.32
CN(CCO)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882932	0	46	0.0	-74.55	381.23	-2.42	-76.97
C[N@H+](CCO)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882932	1	46	0.0	-73.37	380.92	-2.40	-75.77
C[N@@H+](CCO)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882932	1	46	0.0	-73.37	380.92	-2.40	-75.77
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024882953	0	52	0.0	-80.08	399.97	-0.06	-80.14
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024882953	1	52	0.0	-80.08	399.97	-0.06	-80.14
CC[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882958	0	52	0.0	-67.55	409.04	2.63	-64.92
CC[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024882958	1	52	0.0	-67.55	409.04	2.63	-64.92
CC(CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024882960	0	51	0.0	-76.33	411.30	2.15	-74.18
CC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024882967	0	45	0.0	-73.08	370.78	0.84	-72.24
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024882986	0	53	0.0	-68.39	408.11	2.75	-65.64
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024882986	1	53	0.0	-68.39	408.11	2.75	-65.64
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024882991	0	51	0.0	-73.62	399.72	2.66	-70.96
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024882991	1	51	0.0	-73.62	399.72	2.66	-70.96
CC[N@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024883010	0	49	0.0	-70.54	399.10	2.19	-68.35
CC[NH+](CC)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883023	0	51	0.0	-75.87	407.71	1.79	-74.08
CC1(O)CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024883067	0	50	0.0	-73.68	409.97	-1.42	-75.10
C[NH+](C)CC=CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883074	0	46	0.0	-79.65	391.34	1.39	-78.26
CC(OCC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883092	0	52	0.0	-70.27	428.78	1.90	-68.37
C[NH+](C)CCOCCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883099	0	52	0.0	-75.77	430.80	0.96	-74.81
COCCN(C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883100	0	49	0.0	-73.05	403.17	0.00	-73.05
COCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883100	1	49	0.0	-74.66	403.39	-0.00	-74.66
COCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883100	1	49	0.0	-74.66	403.39	-0.00	-74.66
C[NH+](C)C1(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024883127	0	52	0.0	-78.29	404.56	2.34	-75.95
CC(CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024883130	0	51	0.0	-74.42	411.46	1.90	-72.52
CCN1CCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883136	0	46	0.0	-74.26	385.72	1.15	-73.11
CC[N@@H+]1CCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883136	1	46	0.0	-72.35	384.70	1.18	-71.17
CC[N@H+]1CCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883136	1	46	0.0	-72.35	384.70	1.18	-71.17
CC(C)[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024883144	0	55	0.0	-71.29	431.99	2.95	-68.34
CC(C)[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024883144	1	55	0.0	-71.29	431.99	2.95	-68.34
O=C(C[N@H+]1CCCC1CO)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883155	0	50	0.0	-72.81	407.78	-1.19	-74.00
O=C(C[N@@H+]1CCCC1CO)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883155	1	50	0.0	-74.02	408.85	-1.28	-75.30
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024883177	0	53	0.0	-75.09	421.65	2.90	-72.19
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024883177	1	53	0.0	-74.03	420.58	2.87	-71.16
C[NH+]1CCC(C)(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024883183	0	52	0.0	-69.06	410.31	2.23	-66.83
C[NH+](C)CC1=CNC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024883189	0	50	0.0	-80.41	420.43	1.49	-78.92
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024883203	0	53	0.0	-73.06	416.51	-1.01	-74.07
C=CCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024883209	0	49	0.0	-71.41	397.82	1.66	-69.75
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883219	0	52	0.0	-70.29	412.98	1.87	-68.42
C[N@H+]1CC(C)(C)CC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883219	1	52	0.0	-73.55	413.43	1.77	-71.78
C[NH+](C)CCCCCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883222	0	54	0.0	-76.74	440.97	3.06	-73.68
O=C(C[NH+]1CC2CC2C1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883230	0	47	0.0	-73.62	388.52	2.04	-71.58
CC1C[N@@H+]2CCN1C(C(=O)N[C@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024883255	0	52	0.0	-81.18	406.98	-0.78	-81.96
CC1C[N@H+]2CCN1C(C(=O)N[C@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024883255	1	52	0.0	-73.16	393.89	-0.61	-73.77
CCCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024883256	0	51	0.0	-72.11	406.14	1.90	-70.21
C[NH+](C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883260	0	48	0.0	-74.93	380.52	1.31	-73.62
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883294	0	49	0.0	-71.02	395.04	1.76	-69.26
C[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883294	1	49	0.0	-68.75	395.01	1.76	-66.99
C[N@H+]1CC=C(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024883326	0	50	0.0	-72.44	412.25	2.49	-69.95
C[N@@H+]1CC=C(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024883326	1	50	0.0	-71.24	413.24	2.48	-68.76
O=C(CC1([NH+]2CCCC2)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883334	0	53	0.0	-70.29	418.16	2.90	-67.39
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024883373	1	49	0.0	-79.37	416.54	1.87	-77.50
O=C(C=CC[NH+]1CCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883387	0	50	0.0	-76.81	415.35	2.58	-74.23
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024883406	0	53	0.0	-76.43	423.52	3.02	-73.41
C[NH+](C)C1(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024883424	0	46	0.0	-75.13	375.19	1.80	-73.33
O=C(CC[NH+]1CCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883426	0	49	0.0	-76.16	401.42	1.80	-74.36
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024883459	0	49	0.0	-80.69	390.50	-1.38	-82.07
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024883468	0	47	0.0	-74.38	385.49	1.31	-73.07
C[N@H+]1CC2CC1(C(=O)N[C@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024883468	1	47	0.0	-78.74	384.03	1.54	-77.20
O=C(C[N@@H+]1CC2CCC1C2)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883479	0	50	0.0	-70.38	397.50	2.06	-68.32
O=C(C[N@H+]1CC2CCC1C2)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883479	1	50	0.0	-70.95	397.22	2.08	-68.87
O=C(C=C1C[NH+]2CCC1CC2)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883516	0	51	0.0	-69.43	409.56	2.56	-66.87
O=C(C[N@@H+]1CC2C=CC1C2)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883526	1	48	0.0	-69.39	392.20	2.01	-67.38
O=C(C[N@H+]1CC2C=CC1C2)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883526	1	48	0.0	-71.58	392.13	2.14	-69.44
CC[NH+]1CCN(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024883554	0	54	0.0	-74.09	430.37	0.29	-73.80
CC(C[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883568	0	48	0.0	-69.87	390.73	1.56	-68.31
C[N@@H+]1CCCCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883631	0	52	0.0	-68.28	404.88	2.20	-66.08
C[N@H+]1CCCCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883631	1	52	0.0	-66.50	405.71	2.23	-64.27
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024883645	1	49	0.0	-71.81	402.88	1.87	-69.94
CC1CC[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883648	1	46	0.0	-71.89	384.35	1.23	-70.66
CC1CC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883648	1	46	0.0	-72.35	384.37	1.27	-71.08
C[NH+](C)CC(O)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883651	0	49	0.0	-79.86	406.81	-0.86	-80.72
CC1C[N@H+](C)CC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024883675	1	50	0.0	-88.78	412.67	1.33	-87.45
CC1C[N@@H+](C)CC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024883675	1	50	0.0	-81.49	404.91	1.32	-80.17
O=C(CC[NH+]1CCC(O)CC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883683	0	53	0.0	-79.22	429.22	-0.78	-80.00
CCC[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883685	0	55	0.0	-70.38	434.34	3.16	-67.22
CCC[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883685	1	55	0.0	-70.32	435.24	3.17	-67.15
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024883745	0	49	0.0	-72.38	402.80	1.88	-70.50
CC(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883752	0	51	0.0	-75.94	414.02	2.07	-73.87
C[N@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024883770	0	53	0.0	-72.14	425.12	-0.65	-72.79
C[N@@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024883770	1	53	0.0	-71.18	423.89	-0.46	-71.64
C#CC[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883775	1	51	0.0	-71.70	410.99	2.78	-68.92
C#CC[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883775	1	51	0.0	-71.72	411.98	2.76	-68.96
C[NH+]1CCN(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024883778	1	51	0.0	-75.14	413.13	-0.35	-75.49
CC[NH+]1CCN(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024883786	0	54	0.0	-74.09	430.37	0.29	-73.80
C[N@@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883956	0	46	0.0	-69.50	372.62	0.60	-68.90
C[N@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883956	1	46	0.0	-70.60	371.46	0.58	-70.02
C[N@@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024883982	1	47	0.0	-81.96	385.73	0.35	-81.61
C[N@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024883982	1	47	0.0	-74.05	378.70	0.18	-73.87
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884139	1	50	0.0	-69.84	423.90	3.02	-66.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024884143	1	50	0.0	-76.26	408.16	0.12	-76.14
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024884163	0	50	0.0	-66.51	390.29	1.49	-65.02
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024884171	1	44	0.0	-69.37	378.01	3.18	-66.19
C[NH+](C)C1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024884219	0	55	0.0	-67.71	421.61	2.56	-65.15
C[N@@H+]1CCC(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024884221	0	49	0.0	-75.37	400.55	1.73	-73.64
C[N@H+]1CCC(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024884221	1	49	0.0	-74.22	401.24	1.74	-72.48
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884232	0	48	0.0	-67.21	398.64	0.39	-66.82
CCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024884237	0	48	0.0	-68.88	380.50	0.95	-67.93
C[NH+](C)CCCCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884289	0	51	0.0	-74.77	418.16	2.25	-72.52
CC(C)C(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024884309	0	51	0.0	-70.62	397.88	1.87	-68.75
CCC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884311	0	51	0.0	-74.63	414.39	2.07	-72.56
CCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884311	1	51	0.0	-74.59	414.39	2.07	-72.52
CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884316	0	48	0.0	-71.77	392.12	1.51	-70.26
CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884316	1	48	0.0	-71.75	393.21	1.53	-70.22
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024884336	0	50	0.0	-73.77	386.27	0.99	-72.78
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024884336	1	50	0.0	-73.01	386.23	0.92	-72.09
CCCCCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884359	0	57	0.0	-73.17	456.62	3.85	-69.32
CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884359	1	57	0.0	-73.14	457.71	3.88	-69.26
CC[NH+](CC)C(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024884362	0	57	0.0	-66.55	428.47	2.94	-63.61
CC1CC[NH+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024884391	0	52	0.0	-72.21	415.38	2.56	-69.65
C[NH+]1CCC(OCC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024884414	0	53	0.0	-78.13	432.80	2.25	-75.88
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024884453	0	53	0.0	-70.46	417.80	2.63	-67.83
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024884453	1	53	0.0	-73.15	417.16	2.63	-70.52
C[NH+](C)CC1(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024884462	0	49	0.0	-70.54	401.03	1.69	-68.85
CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024884472	0	55	0.0	-73.88	428.12	2.58	-71.30
CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884488	0	48	0.0	-73.72	394.08	1.36	-72.36
CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884488	1	48	0.0	-73.82	392.89	1.33	-72.49
CC(C)(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024884509	0	55	0.0	-68.31	411.78	2.87	-65.44
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024884517	0	50	0.0	-78.81	390.78	1.66	-77.15
C[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024884580	0	49	0.0	-76.77	397.46	1.62	-75.15
CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024884598	0	51	0.0	-70.15	397.12	1.68	-68.47
CC[NH+](CC)CC(F)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884681	0	51	0.0	-72.78	409.64	1.69	-71.09
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024884709	0	55	0.0	-72.50	434.72	2.91	-69.59
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024884709	1	55	0.0	-72.60	434.73	2.88	-69.72
C[NH+](C)C1(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024884712	0	49	0.0	-74.26	384.66	1.23	-73.03
CCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024884742	0	54	0.0	-65.31	415.72	2.30	-63.01
CC1CCC[N@@H+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884759	0	49	0.0	-68.43	391.49	1.47	-66.96
CC1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884759	1	49	0.0	-68.80	399.30	1.89	-66.91
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024884807	0	55	0.0	-67.31	420.53	2.39	-64.92
CC(C)[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884809	0	55	0.0	-66.52	416.69	2.33	-64.19
CC(C)[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884809	1	55	0.0	-64.57	424.87	2.52	-62.05
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884829	0	52	0.0	-67.81	403.87	2.35	-65.46
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884829	1	52	0.0	-69.14	403.68	2.29	-66.85
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884835	0	55	0.0	-65.38	424.08	2.22	-63.16
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024884835	1	55	0.0	-65.20	423.50	2.22	-62.98
CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024884846	0	51	0.0	-70.53	396.10	1.82	-68.71
CC1CC[N@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024884864	0	49	0.0	-70.70	399.36	1.79	-68.91
CC1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024884864	1	49	0.0	-71.19	398.17	1.84	-69.35
CC1(C)CC[N@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024884868	0	52	0.0	-70.69	419.54	2.34	-68.35
CC1(C)CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024884868	1	52	0.0	-70.63	418.93	2.36	-68.27
C[N@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024884869	0	54	0.0	-71.33	423.61	2.62	-68.71
C[N@@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024884869	1	54	0.0	-71.40	423.03	2.66	-68.74
CC[C@@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024884877	0	48	0.0	-69.09	381.66	1.01	-68.08
CC1=[NH+]C=CN1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885047	1	44	0.0	-68.01	383.48	1.73	-66.28
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885048	0	53	0.0	-74.73	425.29	0.72	-74.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300024885063	0	55	0.0	-73.39	438.30	3.35	-70.04
C[NH+](C)CC1=CC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024885075	1	48	0.0	-82.39	409.18	1.22	-81.17
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885104	1	50	0.0	-66.80	418.55	2.82	-63.98
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024885132	0	53	0.0	-65.91	418.17	2.80	-63.11
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024885132	1	53	0.0	-67.26	406.29	2.19	-65.07
CC[N@@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885146	1	50	0.0	-79.99	403.54	1.01	-78.98
CC[N@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885146	1	50	0.0	-80.35	404.19	1.02	-79.33
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024885186	0	44	0.0	-67.48	377.72	3.17	-64.31
CC1=C[NH+]=CN1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885191	1	44	0.0	-71.38	383.81	2.46	-68.92
C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024885200	0	49	0.0	-74.30	390.17	1.39	-72.91
C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024885200	1	49	0.0	-74.35	395.32	1.30	-73.05
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024885204	0	52	0.0	-73.28	409.86	1.67	-71.61
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024885204	1	52	0.0	-71.56	409.46	2.10	-69.46
CC1CCC(C)[NH+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885215	0	52	0.0	-67.43	409.52	1.95	-65.48
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024885221	0	52	0.0	-73.03	422.79	2.62	-70.41
C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024885226	0	51	0.0	-77.78	422.63	2.82	-74.96
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024885227	0	52	0.0	-72.98	417.98	2.57	-70.41
CC[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885232	0	52	0.0	-68.36	404.13	2.02	-66.34
CC[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885232	1	52	0.0	-66.70	411.00	2.25	-64.45
C[NH+](C)C1(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024885265	0	55	0.0	-74.75	416.72	2.55	-72.20
C[N@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024885386	0	49	0.0	-69.26	400.14	2.11	-67.15
C[N@@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024885386	1	49	0.0	-69.97	398.92	2.07	-67.90
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024885403	0	55	0.0	-66.37	411.74	1.89	-64.48
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300024885415	0	55	0.0	-73.44	444.12	3.44	-70.00
C[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024885426	0	49	0.0	-76.77	397.46	1.62	-75.15
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885461	0	46	0.0	-69.56	372.61	0.60	-68.96
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885461	1	46	0.0	-68.59	374.24	0.90	-67.69
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885482	1	48	0.0	-68.77	399.36	1.80	-66.97
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885482	1	48	0.0	-69.52	402.85	2.20	-67.32
C[N@@H+]1CCCC1CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885487	0	52	0.0	-71.67	414.81	2.15	-69.52
C[N@H+]1CCCC1CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885487	1	52	0.0	-72.01	415.90	2.17	-69.84
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024885494	0	53	0.0	-79.67	398.82	1.75	-77.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024885497	0	53	0.0	-67.63	412.26	2.54	-65.09
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024885497	1	53	0.0	-66.54	418.76	2.90	-63.64
CCC[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885559	0	55	0.0	-65.86	426.09	3.01	-62.85
CCC[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885559	1	55	0.0	-71.42	426.55	2.87	-68.55
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885573	1	53	0.0	-72.23	413.64	1.34	-70.89
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885573	1	53	0.0	-77.80	420.86	1.55	-76.25
C[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885594	0	49	0.0	-71.01	385.53	1.35	-69.66
C[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885594	1	49	0.0	-69.66	381.60	1.17	-68.49
CC(C)C[N@@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885614	0	55	0.0	-68.33	434.50	3.08	-65.25
CC(C)C[N@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885614	1	55	0.0	-68.92	424.55	3.33	-65.59
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300024885627	0	53	0.0	-73.54	426.23	-0.74	-74.28
CC1C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024885668	0	49	0.0	-73.93	390.30	1.36	-72.57
CC1C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024885668	1	49	0.0	-70.50	398.89	1.49	-69.01
C[N@@H+]1CCCCC1CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885670	0	55	0.0	-71.29	433.96	3.05	-68.24
C[N@H+]1CCCCC1CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885670	1	55	0.0	-71.04	435.35	3.07	-67.97
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885748	0	52	0.0	-68.08	415.46	1.81	-66.27
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885748	1	52	0.0	-68.47	415.52	1.83	-66.64
C[C@@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024885766	0	45	0.0	-70.16	370.79	0.45	-69.71
C=CCC(C)(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024885780	0	52	0.0	-71.99	395.44	2.09	-69.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024885800	0	49	0.0	-73.48	400.11	1.77	-71.71
C[N@H+](CCO)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885810	1	46	0.0	-72.58	382.06	-2.44	-75.02
C[N@@H+](CCO)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885810	1	46	0.0	-72.07	380.76	-2.47	-74.54
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024885843	0	52	0.0	-81.27	396.47	-0.48	-81.75
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024885843	1	52	0.0	-79.60	402.10	-0.15	-79.75
C[N@H+]1CC=C(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024885889	0	50	0.0	-71.56	413.18	2.47	-69.09
C[N@@H+]1CC=C(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024885889	1	50	0.0	-69.81	411.99	2.44	-67.37
C[S+](C)CCC(O)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885903	0	48	0.0	-76.14	413.71	-0.44	-76.58
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885921	0	50	0.0	-68.68	391.79	-2.52	-71.20
C[N@H+]1CC(O)CC1(C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024885921	1	50	0.0	-76.56	390.68	-2.58	-79.14
CN1CC[N@H+](C)CC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885931	0	54	0.0	-70.17	426.06	0.09	-70.08
CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885931	1	54	0.0	-69.93	418.79	-0.14	-70.07
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024885932	0	53	0.0	-68.99	420.99	-0.91	-69.90
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300024885932	1	53	0.0	-69.77	420.89	-0.89	-70.66
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885960	0	53	0.0	-71.31	421.42	0.58	-70.73
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885960	1	53	0.0	-67.18	424.30	0.52	-66.66
CC1C[NH+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885964	1	46	0.0	-71.95	385.28	1.24	-70.71
CC[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885970	0	52	0.0	-72.47	415.63	2.29	-70.18
CC[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024885970	1	52	0.0	-65.92	405.11	2.39	-63.53
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024885986	0	50	0.0	-69.62	404.14	2.04	-67.58
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024885986	1	50	0.0	-66.79	402.45	2.31	-64.48
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024886021	0	50	0.0	-80.02	413.12	2.42	-77.60
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024886039	0	53	0.0	-73.75	422.33	2.89	-70.86
CC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886077	0	45	0.0	-71.30	371.77	0.80	-70.50
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300024886122	0	48	0.0	-69.85	392.20	2.05	-67.80
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024886122	1	48	0.0	-68.12	393.50	2.03	-66.09
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024886122	1	48	0.0	-68.12	393.50	2.03	-66.09
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300024886193	0	49	0.0	-78.09	386.18	-1.74	-79.83
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024886228	0	53	0.0	-65.43	401.55	1.95	-63.48
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024886228	1	53	0.0	-66.72	401.43	2.06	-64.66
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024886234	0	51	0.0	-65.02	393.96	1.64	-63.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024886234	1	51	0.0	-66.04	393.65	1.71	-64.33
CC(OCC[NH+](C)C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886243	0	52	0.0	-72.45	423.43	1.63	-70.82
C[NH+](C)CCOCCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886251	0	52	0.0	-72.38	429.62	0.91	-71.47
COCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886253	1	49	0.0	-71.82	403.02	-0.07	-71.89
COCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886253	1	49	0.0	-72.78	404.31	-0.04	-72.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2C[NH+](C3CCOC3)C2)C1	REAL300024886254	0	51	0.0	-79.05	419.05	0.45	-78.60
CC(CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024886258	0	51	0.0	-72.24	410.15	1.87	-70.37
C[NH+]1CCC(=CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024886273	0	50	0.0	-76.31	406.92	2.37	-73.94
CC[N@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024886280	0	49	0.0	-67.85	402.64	2.14	-65.71
CC[N@@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024886280	1	49	0.0	-68.61	400.09	2.13	-66.48
CC1C[N@@H+]2CCN1C(C(=O)N1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024886295	0	52	0.0	-78.08	401.96	-1.18	-79.26
CC1C[N@H+]2CCN1C(C(=O)N1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024886295	1	52	0.0	-78.74	401.57	-1.18	-79.92
C[N@@H+]1CC2CC1(C(=O)N1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024886317	0	47	0.0	-73.52	380.55	1.31	-72.21
C[N@H+]1CC2CC1(C(=O)N1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024886317	1	47	0.0	-73.30	375.24	1.29	-72.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024886330	0	50	0.0	-68.78	396.92	1.96	-66.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024886330	1	50	0.0	-69.36	400.99	2.21	-67.15
CC(C[NH+](C)C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886349	0	48	0.0	-73.69	390.20	1.17	-72.52
C[NH+](C)C1(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024886364	0	46	0.0	-72.96	375.71	0.54	-72.42
C[C@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024886387	0	45	0.0	-69.32	370.03	0.42	-68.90
CC[N@@H+]1CCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886393	1	46	0.0	-71.31	383.98	1.03	-70.28
CC[N@H+]1CCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886393	1	46	0.0	-70.89	383.52	1.05	-69.84
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024886403	0	55	0.0	-66.28	422.19	2.81	-63.47
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024886403	1	55	0.0	-67.45	422.70	2.69	-64.76
CCC(C)(C)[NH2+]C(C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886415	0	54	0.0	-69.72	416.71	0.74	-68.98
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886454	1	51	0.0	-69.02	406.78	2.35	-66.67
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886454	1	51	0.0	-68.12	418.63	2.83	-65.29
NC1=CC=[NH+]C=C1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886456	0	42	0.0	-78.00	361.99	-1.92	-79.92
CCCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024886465	0	51	0.0	-70.20	404.15	1.89	-68.31
C[NH+](C)C(C)(C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886472	0	48	0.0	-72.40	370.93	1.11	-71.29
CC(CC[NH+](C)C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886490	0	51	0.0	-73.55	414.57	1.87	-71.68
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024886547	0	51	0.0	-69.36	409.23	3.11	-66.25
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024886547	1	51	0.0	-70.01	404.01	3.26	-66.75
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886576	0	52	0.0	-68.08	415.47	2.09	-65.99
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886576	1	52	0.0	-68.19	415.61	2.13	-66.06
C[NH+](C)CCCCCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886579	0	54	0.0	-73.90	439.66	3.03	-70.87
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300024886583	0	53	0.0	-76.91	428.62	-0.81	-77.72
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886587	0	55	0.0	-68.70	425.75	2.75	-65.95
CCC[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886587	1	55	0.0	-70.36	425.83	2.76	-67.60
C[NH+]1CCN(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024886596	1	51	0.0	-72.27	411.90	-0.43	-72.70
CC1C[N@H+](C)CC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024886678	1	50	0.0	-82.47	407.08	1.13	-81.34
CC1C[N@@H+](C)CC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024886678	1	50	0.0	-76.30	400.14	0.94	-75.36
CCC1CCC[N@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024886707	0	55	0.0	-71.78	427.94	3.19	-68.59
CCC1CCC[N@@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024886707	1	55	0.0	-71.56	435.09	3.21	-68.35
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024886715	0	50	0.0	-70.26	415.37	1.42	-68.84
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024886728	0	47	0.0	-71.64	389.34	2.01	-69.63
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300024886739	0	53	0.0	-69.17	420.10	2.88	-66.29
C[N@@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886772	0	49	0.0	-71.01	385.53	1.35	-69.66
C[N@H+]1CCCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886772	1	49	0.0	-69.66	381.60	1.17	-68.49
C[N@@H+]1CCC(=CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024886871	0	47	0.0	-79.93	392.22	1.63	-78.30
C[N@H+]1CCC(=CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024886871	1	47	0.0	-79.91	391.27	1.65	-78.26
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024886876	0	45	0.0	-71.63	388.60	-0.64	-72.27
[N-]=[N+]=NCC(=O)N1CC[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024886920	0	36	0.0	-26.64	330.01	-4.29	-30.93
CC[NH+]1CCN(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024886927	0	54	0.0	-72.07	431.08	0.30	-71.77
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300024886930	0	51	0.0	-70.42	408.58	2.50	-67.92
C[NH+](C)C1(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024886963	0	52	0.0	-72.73	397.07	2.08	-70.65
C[N@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024886971	0	53	0.0	-67.07	424.59	-0.50	-67.57
C[N@@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024886971	1	53	0.0	-70.33	423.88	-0.71	-71.04
CCC1C[NH+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024886974	0	49	0.0	-72.62	406.29	1.95	-70.67
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024886977	0	53	0.0	-70.37	406.70	2.42	-67.95
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886989	0	46	0.0	-68.77	376.32	0.95	-67.82
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886989	1	46	0.0	-71.20	372.63	0.58	-70.62
CC[N@@H+]1CCOCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887011	0	53	0.0	-73.05	417.75	0.44	-72.61
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024887115	0	49	0.0	-73.05	402.03	1.81	-71.24
C[NH+](C)C1CCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024887126	0	55	0.0	-76.66	427.27	2.62	-74.04
C[NH+](C)CCC1(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024887127	0	52	0.0	-74.52	423.64	2.49	-72.03
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024887128	0	55	0.0	-69.68	421.87	2.56	-67.12
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887129	0	50	0.0	-75.12	405.27	2.18	-72.94
C[N@H+]1CC=CCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887129	1	50	0.0	-75.12	405.27	2.18	-72.94
C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887181	0	49	0.0	-75.39	409.92	1.23	-74.16
CCCCC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887186	0	57	0.0	-75.46	458.58	3.66	-71.80
CCCCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887186	1	57	0.0	-75.66	457.39	3.64	-72.02
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024887197	0	53	0.0	-74.03	427.87	2.21	-71.82
[NH2+]=C1SC=CN1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887220	0	42	0.0	-67.65	379.95	0.27	-67.38
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887285	0	52	0.0	-70.54	424.97	1.69	-68.85
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300024887316	0	55	0.0	-75.07	427.99	2.78	-72.29
C[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024887321	0	49	0.0	-65.72	387.84	1.71	-64.01
C[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024887321	1	49	0.0	-65.72	387.84	1.71	-64.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024887323	0	52	0.0	-71.13	403.76	2.14	-68.99
CN1C=C[N+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024887328	0	44	0.0	-69.57	384.12	3.60	-65.97
CN(C)CC1=CC=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024887343	0	49	0.0	-84.61	414.65	1.97	-82.64
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024887343	1	49	0.0	-84.61	414.65	1.97	-82.64
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CN2CCC(O)CC2)C1	REAL300024887358	0	50	0.0	-76.49	405.63	-1.39	-77.88
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024887358	1	50	0.0	-76.49	405.63	-1.39	-77.88
C[N@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024887362	0	46	0.0	-69.13	383.51	1.52	-67.61
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CCN(C)CC1	REAL300024887364	0	54	0.0	-74.05	429.59	0.01	-74.04
CC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024887364	1	54	0.0	-74.05	429.59	0.01	-74.04
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300024887366	0	49	0.0	-77.86	407.57	1.93	-75.93
COC1C[N@H+](C)C(C)(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024887375	0	53	0.0	-68.95	415.08	-0.18	-69.13
CC(CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024887391	0	51	0.0	-76.49	410.02	2.10	-74.39
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024887403	0	51	0.0	-76.20	408.71	0.28	-75.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024887403	1	51	0.0	-76.20	408.71	0.28	-75.92
CN1CCOCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887420	0	50	0.0	-77.70	404.71	-0.05	-77.75
C[N@@H+]1CCOCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887420	1	50	0.0	-78.19	403.80	-0.05	-78.24
C[N@H+]1CCOCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887420	1	50	0.0	-78.19	403.80	-0.05	-78.24
CC1(O)CC[N@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024887517	0	50	0.0	-72.17	409.25	-1.51	-73.68
C[NH+]1CC(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024887549	0	46	0.0	-73.58	384.09	0.94	-72.64
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024887553	0	53	0.0	-69.82	417.43	2.49	-67.33
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024887553	1	53	0.0	-69.82	417.43	2.49	-67.33
C[N@H+](CCO)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887587	0	49	0.0	-73.28	403.23	-1.90	-75.18
C[N@@H+](CCO)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887587	1	49	0.0	-73.28	403.23	-1.90	-75.18
C[N@@H+]1CCCCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887605	0	52	0.0	-74.57	412.41	2.33	-72.24
C[N@H+]1CCCCC1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887605	1	52	0.0	-74.57	412.41	2.33	-72.24
CC1CCN1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887626	0	46	0.0	-70.72	384.12	1.17	-69.55
CC1CC[N@@H+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887626	1	46	0.0	-69.43	379.89	0.91	-68.52
CC1CC[N@H+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887626	1	46	0.0	-69.43	379.89	0.91	-68.52
C[NH+](C)CC=CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887637	0	46	0.0	-81.13	388.15	1.30	-79.83
CC1(C)CN(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024887648	0	49	0.0	-71.86	403.28	1.66	-70.20
CC1(C)C[NH+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024887648	1	49	0.0	-71.86	403.28	1.66	-70.20
CC1=C(C)NC(CCC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024887663	0	50	0.0	-67.63	423.03	1.41	-66.22
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024887663	1	50	0.0	-67.63	423.03	1.41	-66.22
C[NH+](C)CCSCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887680	0	49	0.0	-82.43	420.94	2.08	-80.35
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024887703	0	50	0.0	-70.91	406.00	-1.31	-72.22
CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887707	0	48	0.0	-70.20	384.38	1.16	-69.04
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CN2CCC2)C1	REAL300024887718	0	43	0.0	-71.92	364.34	0.60	-71.32
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024887718	1	43	0.0	-71.92	364.34	0.60	-71.32
CC[NH+](CC)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887758	0	51	0.0	-72.86	410.75	2.04	-70.82
C[NH+](C)CC1=CNC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024887815	0	50	0.0	-81.86	414.97	1.55	-80.31
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024887836	0	51	0.0	-71.22	409.42	0.32	-70.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024887836	1	51	0.0	-71.22	409.42	0.32	-70.90
CCC(CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024887852	0	54	0.0	-74.38	424.03	2.60	-71.78
C[NH+](C)CC(C)(C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887860	0	51	0.0	-72.36	393.50	1.24	-71.12
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887912	0	49	0.0	-67.72	394.37	1.65	-66.07
CC1CN2CC[N@@H+]1CC2C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887926	0	52	0.0	-77.04	400.19	-1.35	-78.39
C[NH+](C)CC(O)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024887946	0	49	0.0	-77.09	405.49	-0.84	-77.93
C[NH+]1C2CCC1CC(C(=O)N1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024887948	0	53	0.0	-71.26	387.96	1.97	-69.29
C=CCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024887978	0	49	0.0	-68.24	395.82	1.57	-66.67
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024887985	0	53	0.0	-73.15	417.16	2.63	-70.52
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024887985	1	53	0.0	-73.15	417.16	2.63	-70.52
C[NH+]1CCC(C)(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024887996	0	52	0.0	-70.38	400.54	1.62	-68.76
C[NH+]1CCC(O)(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024887998	0	53	0.0	-73.89	423.71	0.47	-73.42
NC(=[NH2+])SCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888022	0	40	0.0	-77.34	362.64	-2.98	-80.32
CC[N@H+]1CCOCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888049	1	53	0.0	-74.16	416.82	0.47	-73.69
C[NH+](C)C1CCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024888062	0	55	0.0	-73.14	426.27	2.86	-70.28
C[NH+](C)CCC1(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024888063	0	52	0.0	-80.93	429.77	2.70	-78.23
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024888064	0	55	0.0	-73.14	426.41	2.83	-70.31
C[N@@H+]1CC=CCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888065	0	50	0.0	-75.98	404.27	2.22	-73.76
C[N@H+]1CC=CCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888065	1	50	0.0	-67.23	400.20	2.17	-65.06
C[C@@H](OCC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888086	0	52	0.0	-71.47	429.70	1.91	-69.56
C[NH+]1C2CCC1CC(C(=O)N[C@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024888110	0	53	0.0	-72.65	413.06	2.40	-70.25
CCC1C[NH+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024888202	1	49	0.0	-75.90	406.75	2.00	-73.90
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024888204	0	53	0.0	-75.82	414.39	2.81	-73.01
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888211	0	46	0.0	-71.85	379.91	1.17	-70.68
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888211	1	46	0.0	-75.27	374.15	0.68	-74.59
O=C(CC[N@H+]1CCC(F)C1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888218	0	49	0.0	-78.35	407.31	1.95	-76.40
O=C(CC[N@@H+]1CCC(F)C1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888218	1	49	0.0	-80.60	408.01	1.93	-78.67
COC1C[N@H+](C)C(C)(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024888226	0	53	0.0	-75.46	421.44	0.69	-74.77
COC1C[N@@H+](C)C(C)(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024888226	1	53	0.0	-76.30	422.82	0.80	-75.50
O=C(CC[NH+]1CCCCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888233	0	55	0.0	-76.44	427.14	2.78	-73.66
O=C(C[NH+]1CCCCC1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888235	0	49	0.0	-72.93	394.79	2.03	-70.90
CC1C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024888244	0	49	0.0	-73.21	394.25	1.39	-71.82
CC1C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024888244	1	49	0.0	-70.97	394.24	1.37	-69.60
C[N@@H+]1CCCCC1CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888246	0	55	0.0	-74.05	435.18	3.07	-70.98
C[N@H+]1CCCCC1CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888246	1	55	0.0	-72.21	434.14	3.06	-69.15
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024888268	0	51	0.0	-69.96	408.05	0.46	-69.50
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024888268	1	51	0.0	-73.02	409.22	0.46	-72.56
C[N@@H+]1CCOCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888285	1	50	0.0	-81.40	404.75	-0.04	-81.44
C[N@H+]1CCOCC1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888285	1	50	0.0	-69.52	397.09	-0.16	-69.68
CC1=C(C)[NH+]=C(CCC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024888292	1	50	0.0	-68.94	424.27	1.49	-67.45
CCOCC(N=[N+]=[N-])C(=O)N[C@H]1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024888296	0	46	0.0	-25.30	406.07	-3.39	-28.69
C[NH+](C)CCSCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888366	0	49	0.0	-81.10	421.01	2.08	-79.02
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024888372	0	51	0.0	-74.63	412.63	0.53	-74.10
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024888372	1	51	0.0	-71.89	411.38	0.52	-71.37
C[N@@H+]1CCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888533	0	46	0.0	-75.02	374.00	0.72	-74.30
C[N@H+]1CCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888533	1	46	0.0	-72.76	373.96	0.72	-72.04
C[N@@H+]1CCOC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024888557	1	47	0.0	-85.56	390.57	0.61	-84.95
C[N@H+]1CCOC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024888557	1	47	0.0	-81.11	384.26	0.45	-80.66
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024888713	0	55	0.0	-70.17	423.24	2.57	-67.60
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888715	0	55	0.0	-68.24	427.13	2.67	-65.57
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888715	1	55	0.0	-68.96	420.95	2.73	-66.23
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888735	0	52	0.0	-70.00	412.94	2.27	-67.73
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888735	1	52	0.0	-67.95	411.39	2.19	-65.76
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024888751	0	53	0.0	-75.79	420.72	2.90	-72.89
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024888751	1	53	0.0	-72.20	421.31	2.92	-69.28
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888769	1	50	0.0	-70.08	419.64	2.91	-67.17
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888794	1	44	0.0	-71.67	383.40	1.78	-69.89
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888795	0	53	0.0	-77.03	425.29	0.89	-76.14
O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888810	0	55	0.0	-75.86	439.62	3.38	-72.48
CC(C)(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024888824	0	55	0.0	-75.47	423.34	3.13	-72.34
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300024888832	0	50	0.0	-80.95	394.46	1.93	-79.02
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024888867	0	53	0.0	-68.28	418.23	3.00	-65.28
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024888867	1	53	0.0	-66.30	417.75	2.99	-63.31
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024888877	0	49	0.0	-75.41	391.53	1.38	-74.03
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024888877	1	49	0.0	-74.59	396.04	1.40	-73.19
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024888881	0	52	0.0	-75.49	410.69	1.88	-73.61
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024888881	1	52	0.0	-73.14	415.37	2.17	-70.97
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024888890	1	50	0.0	-86.05	409.24	1.25	-84.80
CC[N@H+]1CCOC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024888890	1	50	0.0	-79.05	401.23	1.09	-77.96
CC[NH+](CC)CC(F)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888929	0	51	0.0	-72.98	416.49	2.17	-70.81
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888988	0	52	0.0	-71.05	411.15	2.06	-68.99
O=C(CCC[NH+]1CCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888994	0	52	0.0	-75.50	423.84	2.70	-72.80
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024888998	0	51	0.0	-78.78	422.93	3.02	-75.76
O=C(CC[NH+]1CCCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888999	0	52	0.0	-74.25	417.17	2.58	-71.67
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889003	0	52	0.0	-67.83	412.83	2.40	-65.43
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889003	1	52	0.0	-70.12	412.96	2.40	-67.72
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024889015	0	55	0.0	-73.54	437.61	3.14	-70.40
CC(C)C[N@H+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024889015	1	55	0.0	-73.77	438.28	3.16	-70.61
C[NH+](C)C1(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024889018	0	49	0.0	-68.73	387.37	1.63	-67.10
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889020	0	55	0.0	-71.83	431.08	2.80	-69.03
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889020	1	55	0.0	-71.68	431.31	2.80	-68.88
CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024889031	0	51	0.0	-71.66	401.41	2.39	-69.27
C[N@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024889068	0	49	0.0	-72.78	400.09	2.16	-70.62
C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024889068	1	49	0.0	-72.80	400.10	2.15	-70.65
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024889112	0	55	0.0	-69.51	426.08	2.49	-67.02
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889163	1	48	0.0	-70.00	399.76	1.93	-68.07
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889163	1	48	0.0	-70.36	405.57	2.44	-67.92
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889168	0	52	0.0	-73.09	414.99	2.18	-70.91
C[N@H+]1CCCC1CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889168	1	52	0.0	-73.91	416.05	2.18	-71.73
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024889175	0	53	0.0	-74.68	411.37	2.37	-72.31
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024889178	0	53	0.0	-69.70	421.98	3.13	-66.57
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024889178	1	53	0.0	-67.90	421.02	3.10	-64.80
O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889193	0	55	0.0	-76.11	445.37	3.48	-72.63
C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024889204	0	49	0.0	-78.34	397.76	1.81	-76.53
C[NH+](C)CC1=CC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024889233	1	48	0.0	-81.21	411.23	1.12	-80.09
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889257	0	49	0.0	-73.00	386.77	1.58	-71.42
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889257	1	49	0.0	-71.75	386.63	1.59	-70.16
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889276	0	55	0.0	-73.60	432.92	2.82	-70.78
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889276	1	55	0.0	-71.82	438.63	3.37	-68.45
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024889361	0	44	0.0	-74.38	383.34	3.66	-70.72
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889367	1	50	0.0	-71.67	424.17	3.05	-68.62
O=C(CC[NH+]1CCOCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889371	1	50	0.0	-77.54	408.45	0.16	-77.38
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889396	1	44	0.0	-73.49	383.87	2.49	-71.00
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300024889428	0	50	0.0	-75.78	397.76	2.13	-73.65
C[NH+](C)C1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024889448	0	55	0.0	-68.25	426.32	2.83	-65.42
C[N@@H+]1CCC(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024889450	0	49	0.0	-75.54	399.71	1.76	-73.78
C[N@H+]1CCC(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024889450	1	49	0.0	-76.64	399.56	1.75	-74.89
CN(C)C1=CC=[NH+]C=C1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889461	0	48	0.0	-80.68	403.83	0.95	-79.73
CCC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024889466	0	48	0.0	-72.97	384.70	1.12	-71.85
C[NH+](C)C1(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024889476	0	55	0.0	-76.37	417.03	2.59	-73.78
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024889510	1	44	0.0	-78.45	383.48	3.67	-74.78
C[NH+](C)CCCCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889555	0	51	0.0	-76.00	418.55	2.30	-73.70
CC(C)C(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024889573	0	51	0.0	-71.66	401.41	2.39	-69.27
CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889575	0	51	0.0	-77.16	415.64	2.13	-75.03
CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889575	1	51	0.0	-77.25	415.63	2.12	-75.13
CCC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889580	0	48	0.0	-74.92	393.22	1.59	-73.33
CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889580	1	48	0.0	-74.86	393.22	1.58	-73.28
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024889600	0	50	0.0	-76.36	396.07	1.35	-75.01
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024889600	1	50	0.0	-73.84	395.10	1.36	-72.48
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889632	0	46	0.0	-73.89	373.09	0.69	-73.20
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889632	1	46	0.0	-70.48	378.14	1.22	-69.26
CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889679	0	57	0.0	-76.25	457.72	3.94	-72.31
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889679	1	57	0.0	-76.14	457.71	3.93	-72.21
CC[NH+](CC)C(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024889682	0	57	0.0	-71.68	434.73	3.20	-68.48
CC[NH+](CC)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889690	0	48	0.0	-73.33	390.08	1.53	-71.80
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024889721	0	55	0.0	-67.93	430.64	3.38	-64.55
CCC[N@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024889721	1	55	0.0	-72.58	436.86	3.19	-69.39
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024889735	1	53	0.0	-70.75	417.85	1.60	-69.15
CC(C)[N@H+]1CCOC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024889735	1	53	0.0	-81.83	425.93	1.78	-80.05
CC1CC[NH+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024889762	0	52	0.0	-73.96	415.75	2.64	-71.32
C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024889785	0	53	0.0	-81.84	433.91	2.26	-79.58
C[NH+](C)CC1(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024889795	0	49	0.0	-78.51	404.92	1.94	-76.57
CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024889858	0	55	0.0	-73.77	428.27	2.77	-71.00
C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024889874	0	49	0.0	-78.34	397.76	1.81	-76.53
CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024889892	0	51	0.0	-72.77	397.60	1.71	-71.06
CCC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024889922	0	54	0.0	-68.51	416.58	2.20	-66.31
CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889972	0	48	0.0	-76.37	394.14	1.39	-74.98
CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889972	1	48	0.0	-76.45	394.14	1.38	-75.07
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890021	0	49	0.0	-71.02	398.42	1.94	-69.08
CC1CCC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890021	1	49	0.0	-70.12	391.82	1.53	-68.59
CC1CC[N@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890023	0	49	0.0	-74.30	400.11	1.92	-72.38
CC1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890023	1	49	0.0	-74.33	400.35	1.90	-72.43
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890027	0	52	0.0	-72.68	418.20	2.41	-70.27
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890027	1	52	0.0	-74.15	418.87	2.42	-71.73
C[N@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024890028	0	54	0.0	-73.40	422.73	2.65	-70.75
C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024890028	1	54	0.0	-74.54	424.13	2.75	-71.79
CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024890036	0	48	0.0	-70.82	384.23	1.20	-69.62
C[NH+]1CCC(O)(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024890178	0	53	0.0	-76.10	423.71	0.45	-75.65
C[NH+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890189	0	42	0.0	-75.17	353.99	0.17	-75.00
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890193	1	53	0.0	-77.10	426.59	-0.67	-77.77
O=C(C[NH+]1CCCCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890194	0	52	0.0	-75.21	407.34	2.54	-72.67
CN1C=C[N+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024890198	0	44	0.0	-72.12	385.34	3.66	-68.46
C[N@@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890204	0	49	0.0	-74.16	397.70	1.79	-72.37
C[N@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890204	1	49	0.0	-66.38	391.33	1.98	-64.40
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024890209	0	50	0.0	-69.89	411.42	2.70	-67.19
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024890209	1	50	0.0	-68.29	405.63	2.51	-65.78
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024890233	1	46	0.0	-72.56	383.16	1.08	-71.48
CCC(CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024890237	0	54	0.0	-69.97	429.23	2.79	-67.18
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890244	0	51	0.0	-69.82	401.28	1.90	-67.92
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024890259	0	51	0.0	-74.61	411.32	2.72	-71.89
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024890259	1	51	0.0	-73.62	408.77	3.45	-70.17
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890267	1	50	0.0	-77.01	406.01	-1.32	-78.33
C[N@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024890268	0	46	0.0	-70.64	382.42	1.56	-69.08
C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024890268	1	46	0.0	-70.99	382.58	1.56	-69.43
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024890269	1	54	0.0	-71.75	424.11	-0.03	-71.78
C[NH+]1CC(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890287	0	46	0.0	-75.03	385.54	0.97	-74.06
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024890291	0	53	0.0	-72.16	418.95	2.65	-69.51
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024890291	1	53	0.0	-71.85	418.41	2.59	-69.26
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890299	0	52	0.0	-70.43	414.69	1.85	-68.58
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890299	1	52	0.0	-71.02	415.55	1.92	-69.10
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024890310	0	45	0.0	-70.97	371.28	0.56	-70.41
[N-]=[N+]=NCC(=O)N[C@@H]1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024890317	0	36	0.0	-25.35	330.09	-4.25	-29.60
CCC1CCC[N@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890342	0	55	0.0	-75.54	427.95	3.25	-72.29
CCC1CCC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890342	1	55	0.0	-72.58	426.68	2.83	-69.75
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024890349	0	50	0.0	-83.45	420.00	1.33	-82.12
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890391	0	42	0.0	-71.54	381.06	0.35	-71.19
C[N@H+](CCO)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890401	0	49	0.0	-76.47	404.49	-1.84	-78.31
C[N@@H+](CCO)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890401	1	49	0.0	-75.60	404.47	-1.86	-77.46
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024890402	0	45	0.0	-70.97	371.28	0.56	-70.41
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890406	0	49	0.0	-71.96	385.79	1.58	-70.38
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890406	1	49	0.0	-71.23	395.08	1.75	-69.48
CC1CN2CC[N@@H+]1CC2C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890414	0	52	0.0	-74.34	406.01	-0.86	-75.20
CC1CN2CC[N@H+]1CC2C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890414	1	52	0.0	-79.00	405.88	-0.86	-79.86
O=C(C[NH+]1CCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890476	1	43	0.0	-73.51	363.48	0.63	-72.88
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890501	0	47	0.0	-76.70	390.94	1.71	-74.99
C[N@H+]1CCC(=CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890501	1	47	0.0	-76.77	391.08	1.72	-75.05
C[NH+](C)CCOCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890532	0	49	0.0	-75.11	409.86	1.23	-73.88
CCCCC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890537	0	57	0.0	-78.19	458.64	3.70	-74.49
CCCCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890537	1	57	0.0	-78.25	458.63	3.69	-74.56
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024890546	0	53	0.0	-75.45	432.84	2.11	-73.34
C=CCC(C)(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024890553	0	52	0.0	-68.00	409.52	2.19	-65.81
C[S+](C)CCC(O)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890557	0	48	0.0	-76.06	417.90	-0.21	-76.27
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890582	0	50	0.0	-79.93	399.62	-1.68	-81.61
CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890592	0	54	0.0	-72.59	423.90	0.32	-72.27
CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890592	1	54	0.0	-72.59	423.90	0.32	-72.27
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024890593	0	53	0.0	-72.04	422.03	-0.72	-72.76
O=C(CN1CCC(CO)CC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890601	0	53	0.0	-77.10	426.59	-0.67	-77.77
O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890601	1	53	0.0	-77.10	426.59	-0.67	-77.77
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890610	0	53	0.0	-70.91	424.42	0.50	-70.41
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890610	1	53	0.0	-70.91	424.42	0.50	-70.41
CC1CN(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890613	0	46	0.0	-75.57	384.37	1.34	-74.23
CC1C[NH+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890613	1	46	0.0	-75.57	384.37	1.34	-74.23
CN(CCO)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890636	0	46	0.0	-75.19	382.07	-2.39	-77.58
C[N@H+](CCO)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890636	1	46	0.0	-75.56	381.86	-2.40	-77.96
C[N@@H+](CCO)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890636	1	46	0.0	-75.56	381.86	-2.40	-77.96
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024890657	0	52	0.0	-76.30	401.16	-0.53	-76.83
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024890657	1	52	0.0	-76.30	401.16	-0.53	-76.83
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890662	0	52	0.0	-72.04	415.43	2.44	-69.60
CC[N@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890662	1	52	0.0	-72.04	415.43	2.44	-69.60
CC(CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024890664	0	51	0.0	-76.23	411.29	2.19	-74.04
CC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890671	0	45	0.0	-72.98	370.77	0.83	-72.15
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024890690	0	53	0.0	-70.26	409.44	2.75	-67.51
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024890690	1	53	0.0	-70.26	409.44	2.75	-67.51
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024890695	0	51	0.0	-72.55	400.72	2.66	-69.89
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024890695	1	51	0.0	-72.55	400.72	2.66	-69.89
CC[N@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024890714	0	49	0.0	-72.06	400.04	2.19	-69.87
CC[NH+](CC)CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890727	0	51	0.0	-76.03	407.71	1.79	-74.24
CC1(O)CC[N@H+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890771	0	50	0.0	-73.38	409.57	-1.44	-74.82
C[NH+](C)CC=CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890778	0	46	0.0	-76.83	389.00	1.37	-75.46
CC(OCC[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890796	0	52	0.0	-73.70	429.66	1.91	-71.79
C[NH+](C)CCOCCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890803	0	52	0.0	-75.02	430.87	0.96	-74.06
COCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890804	0	49	0.0	-75.49	404.11	0.01	-75.48
COCC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890804	1	49	0.0	-73.77	403.38	-0.01	-73.78
COCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890804	1	49	0.0	-73.77	403.38	-0.01	-73.78
C[NH+](C)C1(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024890831	0	52	0.0	-77.07	406.43	2.62	-74.45
CC(CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024890834	0	51	0.0	-74.58	411.40	1.88	-72.70
CCN1CCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890840	0	46	0.0	-72.73	378.84	0.90	-71.83
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890840	1	46	0.0	-72.26	378.60	0.82	-71.44
CC[N@H+]1CCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890840	1	46	0.0	-72.26	378.60	0.82	-71.44
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890848	0	55	0.0	-65.49	425.74	3.16	-62.33
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024890848	1	55	0.0	-65.49	425.74	3.16	-62.33
O=C(C[N@H+]1CCCC1CO)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890859	0	50	0.0	-74.24	408.20	-1.36	-75.60
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024890881	0	53	0.0	-72.20	421.31	2.92	-69.28
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024890881	1	53	0.0	-72.20	421.31	2.92	-69.28
C[NH+]1CCC(C)(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024890887	0	52	0.0	-75.26	411.30	2.24	-73.02
C[NH+](C)CC1=CNC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024890893	0	50	0.0	-78.71	419.56	1.42	-77.29
C=CCC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024890913	0	49	0.0	-70.46	397.66	1.67	-68.79
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890923	0	52	0.0	-72.10	414.33	1.78	-70.32
C[NH+](C)CCCCCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890926	0	54	0.0	-76.81	440.97	3.07	-73.74
CC1C[N@@H+]2CCN1C(C(=O)N[C@@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024890959	0	52	0.0	-82.37	405.96	-0.78	-83.15
CCCC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024890960	0	51	0.0	-74.88	408.10	2.09	-72.79
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890964	0	48	0.0	-79.54	381.46	1.33	-78.21
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890998	0	49	0.0	-71.75	386.63	1.59	-70.16
C[N@H+]1CC=C(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024891030	0	50	0.0	-71.21	413.12	2.51	-68.70
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024891030	1	50	0.0	-71.21	413.12	2.51	-68.70
O=C(CC1([NH+]2CCCC2)CC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891038	0	53	0.0	-70.75	419.30	2.90	-67.85
CN(C)CC1=CC=C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024891077	0	49	0.0	-81.35	417.70	1.96	-79.39
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024891077	1	49	0.0	-81.35	417.70	1.96	-79.39
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891091	0	50	0.0	-76.08	415.47	2.58	-73.50
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024891110	0	53	0.0	-75.58	420.46	2.93	-72.65
O=C(CC[NH+]1CCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891130	0	49	0.0	-74.56	400.47	1.81	-72.75
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2C[NH+]3CCN2CC3)C1	REAL300024891163	0	49	0.0	-77.46	389.51	-1.39	-78.85
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024891172	0	47	0.0	-76.85	385.20	1.34	-75.51
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024891172	1	47	0.0	-77.88	384.89	1.28	-76.60
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891183	0	50	0.0	-72.31	398.20	2.08	-70.23
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891183	1	50	0.0	-70.41	397.33	2.07	-68.34
O=C(C=C1C[NH+]2CCC1CC2)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891220	0	51	0.0	-69.41	409.49	2.55	-66.86
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891230	1	48	0.0	-70.28	392.26	2.03	-68.25
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891230	1	48	0.0	-71.76	392.25	2.13	-69.63
CC[NH+]1CCN(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024891258	0	54	0.0	-71.82	429.44	0.30	-71.52
CC(C[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891272	0	48	0.0	-76.33	392.56	1.42	-74.91
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891335	0	52	0.0	-76.30	412.41	2.34	-73.96
C[N@H+]1CCCCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891335	1	52	0.0	-68.87	405.74	2.23	-66.64
CC(C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024891349	1	49	0.0	-72.55	401.54	1.88	-70.67
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891352	1	46	0.0	-71.28	378.83	0.98	-70.30
CC1CC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891352	1	46	0.0	-71.09	378.89	0.97	-70.12
C[NH+](C)CC(O)CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891355	0	49	0.0	-80.01	406.59	-0.80	-80.81
CC1C[N@H+](C)CC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024891379	1	50	0.0	-81.55	404.88	1.32	-80.23
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024891379	1	50	0.0	-86.95	405.31	0.92	-86.03
O=C(CC[NH+]1CCC(O)CC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891387	0	53	0.0	-77.91	427.80	-0.79	-78.70
CCC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891389	0	55	0.0	-72.14	425.88	2.98	-69.16
CCC[N@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891389	1	55	0.0	-70.49	434.46	3.15	-67.34
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024891449	0	49	0.0	-76.59	403.65	1.88	-74.71
CC(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891456	0	51	0.0	-75.61	414.02	2.06	-73.55
C[N@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024891474	0	53	0.0	-70.96	424.17	-0.64	-71.60
C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024891474	1	53	0.0	-72.36	424.15	-0.63	-72.99
C#CC[N@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891479	1	51	0.0	-71.33	420.46	2.95	-68.38
C#CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891479	1	51	0.0	-71.50	410.90	2.78	-68.72
C[NH+]1CCN(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024891482	1	51	0.0	-72.74	412.20	-0.34	-73.08
CC[NH+]1CCN(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024891490	0	54	0.0	-71.82	429.44	0.30	-71.52
C[N@@H+]1CCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891660	0	46	0.0	-70.99	372.63	0.59	-70.40
C[N@H+]1CCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891660	1	46	0.0	-70.12	371.52	0.59	-69.53
C[N@@H+]1CCOC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024891686	1	47	0.0	-82.05	386.39	0.41	-81.64
C[N@H+]1CCOC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024891686	1	47	0.0	-75.38	379.11	0.18	-75.20
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891843	1	50	0.0	-70.32	424.98	3.05	-67.27
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024891847	1	50	0.0	-76.31	409.24	0.15	-76.16
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024891867	0	50	0.0	-67.03	389.97	1.49	-65.54
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300024891875	1	44	0.0	-80.76	388.42	3.53	-77.23
C[NH+](C)C1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024891923	0	55	0.0	-72.94	432.04	2.78	-70.16
C[N@@H+]1CCC(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024891925	0	49	0.0	-74.22	401.13	1.69	-72.53
C[N@H+]1CCC(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024891925	1	49	0.0	-75.18	400.36	1.75	-73.43
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891936	0	48	0.0	-83.26	402.74	0.10	-83.16
CCC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024891941	0	48	0.0	-70.43	383.70	1.11	-69.32
C[NH+](C)CCCCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024891993	0	51	0.0	-74.80	418.18	2.25	-72.55
CC(C)C(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024892013	0	51	0.0	-69.98	396.95	1.90	-68.08
CCC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892015	0	51	0.0	-74.07	415.72	2.09	-71.98
CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892015	1	51	0.0	-74.66	414.41	2.08	-72.58
CCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892020	0	48	0.0	-71.78	393.20	1.53	-70.25
CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892020	1	48	0.0	-71.87	392.09	1.50	-70.37
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024892040	0	50	0.0	-77.26	385.58	0.94	-76.32
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024892040	1	50	0.0	-77.13	384.91	0.93	-76.20
CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892063	0	57	0.0	-73.15	457.69	3.87	-69.28
CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892063	1	57	0.0	-73.26	456.58	3.85	-69.41
CC[NH+](CC)C(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300024892066	0	57	0.0	-68.27	426.74	3.12	-65.15
CC1CC[NH+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024892095	0	52	0.0	-71.97	416.54	2.60	-69.37
C[NH+]1CCC(OCC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024892118	0	53	0.0	-78.36	434.06	2.26	-76.10
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024892157	0	53	0.0	-70.57	417.98	2.63	-67.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024892157	1	53	0.0	-69.69	417.32	2.69	-67.00
C[NH+](C)CC1(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024892166	0	49	0.0	-70.66	401.28	1.68	-68.98
CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024892176	0	55	0.0	-73.47	430.89	2.80	-70.67
CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892192	0	48	0.0	-73.86	392.91	1.34	-72.52
CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892192	1	48	0.0	-73.83	392.91	1.34	-72.49
CC(C)(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300024892213	0	55	0.0	-68.00	411.93	2.87	-65.13
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024892221	0	50	0.0	-75.92	390.84	1.65	-74.27
C[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024892284	0	49	0.0	-76.05	398.45	1.63	-74.42
CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024892302	0	51	0.0	-70.61	397.31	1.83	-68.78
CC[NH+](CC)CC(F)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892385	0	51	0.0	-74.49	409.86	1.67	-72.82
CC(C)C[N@@H+]1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024892413	0	55	0.0	-72.42	435.87	2.93	-69.49
CC(C)C[N@H+]1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024892413	1	55	0.0	-72.14	433.89	2.83	-69.31
C[NH+](C)C1(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024892416	0	49	0.0	-71.90	382.10	1.28	-70.62
CCC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024892446	0	54	0.0	-65.37	414.80	2.22	-63.15
CC1CCC[N@@H+]1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892463	0	49	0.0	-68.96	398.22	1.88	-67.08
CC1CCC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892463	1	49	0.0	-68.47	399.08	1.77	-66.70
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300024892511	0	55	0.0	-67.39	416.35	2.44	-64.95
CC(C)[N@@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892513	0	55	0.0	-66.04	415.94	2.32	-63.72
CC(C)[N@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892513	1	55	0.0	-65.22	424.60	2.55	-62.67
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892533	0	52	0.0	-66.92	407.60	2.04	-64.88
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892533	1	52	0.0	-66.76	410.87	2.02	-64.74
CC(C)[N@@H+]1CCCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892539	0	55	0.0	-64.91	424.76	2.25	-62.66
CC(C)[N@H+]1CCCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892539	1	55	0.0	-66.24	423.12	2.17	-64.07
CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024892550	0	51	0.0	-68.65	393.77	1.49	-67.16
CC1CC[N@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024892568	0	49	0.0	-71.06	399.24	1.87	-69.19
CC1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024892568	1	49	0.0	-70.97	400.00	1.84	-69.13
CC1(C)CC[N@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024892572	0	52	0.0	-71.10	418.10	2.32	-68.78
CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024892572	1	52	0.0	-70.55	419.24	2.34	-68.21
C[N@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024892573	0	54	0.0	-71.63	421.87	2.53	-69.10
C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024892573	1	54	0.0	-71.43	422.99	2.67	-68.76
CC[C@@H](C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024892581	0	48	0.0	-69.50	383.80	1.11	-68.39
CC1=[NH+]C=CN1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892751	1	44	0.0	-68.47	383.56	1.71	-66.76
CC(C[NH+]1CCOCC1)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892752	0	53	0.0	-71.69	426.69	0.67	-71.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300024892767	0	55	0.0	-73.44	437.86	3.31	-70.13
C[NH+](C)CC1=CC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024892779	1	48	0.0	-82.76	409.09	1.23	-81.53
CC(C)C1=[NH+]C=CN1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892808	1	50	0.0	-67.07	422.20	2.87	-64.20
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300024892836	0	53	0.0	-67.74	406.39	2.21	-65.53
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300024892836	1	53	0.0	-67.58	405.52	2.13	-65.45
CC[N@@H+]1CCOC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024892850	1	50	0.0	-73.04	396.47	0.84	-72.20
CC[N@H+]1CCOC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024892850	1	50	0.0	-73.29	396.78	0.87	-72.42
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300024892890	0	44	0.0	-78.54	388.33	3.50	-75.04
CC1=C[NH+]=CN1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892895	1	44	0.0	-71.10	382.58	2.42	-68.68
C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024892904	0	49	0.0	-73.40	389.15	1.55	-71.85
C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024892904	1	49	0.0	-74.50	394.56	1.29	-73.21
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024892908	0	52	0.0	-73.55	406.00	1.60	-71.95
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024892908	1	52	0.0	-72.95	413.14	1.98	-70.97
CC1CCC(C)[NH+]1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892919	0	52	0.0	-67.79	411.09	2.14	-65.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024892925	0	52	0.0	-73.11	422.61	2.65	-70.46
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024892930	0	51	0.0	-76.70	422.86	2.82	-73.88
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024892931	0	52	0.0	-72.77	417.67	2.52	-70.25
CC[N@@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892936	0	52	0.0	-66.50	412.37	2.29	-64.21
CC[N@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024892936	1	52	0.0	-66.97	411.21	2.28	-64.69
C[NH+](C)C1(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024892969	0	55	0.0	-74.77	417.87	2.56	-72.21
C[N@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024893090	0	49	0.0	-69.71	398.94	2.07	-67.64
C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024893090	1	49	0.0	-69.45	400.36	2.10	-67.35
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300024893107	0	55	0.0	-66.43	421.59	2.39	-64.04
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300024893119	0	55	0.0	-73.53	444.14	3.43	-70.10
C[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024893130	0	49	0.0	-76.05	398.45	1.63	-74.42
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893165	0	46	0.0	-71.13	372.58	0.59	-70.54
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893165	1	46	0.0	-68.29	376.13	0.90	-67.39
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893186	1	48	0.0	-67.76	399.35	1.78	-65.98
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893186	1	48	0.0	-70.37	405.89	2.30	-68.07
C[N@@H+]1CCCC1CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893191	0	52	0.0	-71.72	416.01	2.16	-69.56
C[N@H+]1CCCC1CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893191	1	52	0.0	-75.78	417.51	2.50	-73.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300024893198	0	53	0.0	-72.39	400.60	1.74	-70.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300024893201	0	53	0.0	-66.71	413.51	2.52	-64.19
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300024893201	1	53	0.0	-67.79	413.56	2.51	-65.28
CCC[N@@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024893263	0	55	0.0	-66.09	427.29	3.13	-62.96
CCC[N@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024893263	1	55	0.0	-66.51	426.54	3.04	-63.47
CC(C)[N@@H+]1CCOC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024893277	1	53	0.0	-77.99	420.98	1.51	-76.48
CC(C)[N@H+]1CCOC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024893277	1	53	0.0	-79.44	420.94	1.51	-77.93
C[N@@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893298	0	49	0.0	-67.73	394.62	1.66	-66.07
C[N@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893298	1	49	0.0	-68.78	393.43	1.60	-67.18
CC(C)C[N@@H+]1CCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893318	0	55	0.0	-68.01	434.06	3.09	-64.92
CC(C)C[N@H+]1CCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893318	1	55	0.0	-69.06	424.07	3.32	-65.74
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300024893331	0	53	0.0	-73.13	427.72	-0.70	-73.83
CC1C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024893372	0	49	0.0	-71.15	394.54	1.44	-69.71
CC1C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024893372	1	49	0.0	-72.48	393.42	1.68	-70.80
C[N@@H+]1CCCCC1CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893374	0	55	0.0	-75.71	426.78	2.84	-72.87
C[N@H+]1CCCCC1CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893374	1	55	0.0	-75.10	426.84	2.84	-72.26
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893452	0	52	0.0	-67.32	399.01	1.15	-66.17
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893452	1	52	0.0	-68.37	393.93	1.02	-67.35
C[C@@H](C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024893470	0	45	0.0	-69.92	369.76	0.44	-69.48
C=CCC(C)(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024893484	0	52	0.0	-64.89	399.45	1.60	-63.29
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024893504	0	49	0.0	-73.17	402.29	1.87	-71.30
C[N@H+](CCO)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893514	1	46	0.0	-72.40	380.94	-2.47	-74.87
C[N@@H+](CCO)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893514	1	46	0.0	-72.26	381.85	-2.45	-74.71
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024893547	0	52	0.0	-80.14	396.12	-0.48	-80.62
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024893547	1	52	0.0	-76.16	400.58	-0.66	-76.82
C[N@H+]1CC=C(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024893593	0	50	0.0	-71.60	413.14	2.47	-69.13
C[N@@H+]1CC=C(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024893593	1	50	0.0	-69.79	413.27	2.44	-67.35
C[S+](C)CCC(O)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893607	0	48	0.0	-76.17	413.95	-0.43	-76.60
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893625	0	50	0.0	-78.42	392.10	-2.19	-80.61
C[N@H+]1CC(O)CC1(C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893625	1	50	0.0	-69.55	394.12	-2.41	-71.96
CN1CC[N@H+](C)CC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024893635	0	54	0.0	-72.79	427.04	0.09	-72.70
CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024893635	1	54	0.0	-70.57	424.52	0.02	-70.55
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024893636	0	53	0.0	-68.24	422.34	-1.07	-69.31
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300024893636	1	53	0.0	-68.55	422.31	-1.03	-69.58
C[N@@H+]1CCCC(O)(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024893664	0	53	0.0	-68.41	413.11	0.27	-68.14
C[N@H+]1CCCC(O)(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024893664	1	53	0.0	-68.15	422.77	0.47	-67.68
CC1C[NH+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024893668	1	46	0.0	-72.41	382.97	1.26	-71.15
CC[N@@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024893674	0	52	0.0	-72.64	415.33	2.24	-70.40
CC[N@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024893674	1	52	0.0	-71.62	414.28	2.24	-69.38
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024893690	0	50	0.0	-69.20	403.78	2.04	-67.16
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024893690	1	50	0.0	-66.07	403.65	2.33	-63.74
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024893725	0	50	0.0	-79.24	415.56	2.52	-76.72
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300024893743	0	53	0.0	-73.29	422.36	2.84	-70.45
CC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893781	0	45	0.0	-71.21	371.88	0.77	-70.44
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300024893826	0	48	0.0	-68.07	393.02	1.98	-66.09
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024893826	1	48	0.0	-68.23	391.80	1.95	-66.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024893826	1	48	0.0	-68.23	391.80	1.95	-66.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024893932	0	53	0.0	-66.61	400.75	1.94	-64.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024893932	1	53	0.0	-66.61	400.75	1.94	-64.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024893938	0	51	0.0	-65.98	394.22	1.68	-64.30
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024893938	1	51	0.0	-65.98	394.22	1.68	-64.30
CC(OCC[NH+](C)C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893947	0	52	0.0	-72.62	425.00	1.68	-70.94
C[NH+](C)CCOCCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893955	0	52	0.0	-72.31	429.66	0.91	-71.40
COCCN(C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893957	0	49	0.0	-72.15	404.10	-0.04	-72.19
COCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893957	1	49	0.0	-72.59	403.19	-0.07	-72.66
COCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024893957	1	49	0.0	-72.59	403.19	-0.07	-72.66
CC(CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024893962	0	51	0.0	-76.24	407.31	1.88	-74.36
CC[N@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024893984	0	49	0.0	-68.94	398.99	2.11	-66.83
CC1C[N@@H+]2CCN1C(C(=O)N1CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024893999	0	52	0.0	-79.17	402.84	-1.17	-80.34
C[N@@H+]1CC2CC1(C(=O)N1CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024894021	0	47	0.0	-72.39	377.33	1.27	-71.12
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024894034	0	50	0.0	-68.80	396.76	1.99	-66.81
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024894034	1	50	0.0	-68.80	396.76	1.99	-66.81
CC(C[NH+](C)C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894053	0	48	0.0	-73.00	389.97	1.10	-71.90
CCN1CCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894097	0	46	0.0	-71.20	385.56	1.07	-70.13
CC[N@@H+]1CCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894097	1	46	0.0	-69.13	376.32	0.70	-68.43
CC[N@H+]1CCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894097	1	46	0.0	-69.13	376.32	0.70	-68.43
CC(C)[N@@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024894107	0	55	0.0	-70.29	432.79	2.79	-67.50
CC(C)[N@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024894107	1	55	0.0	-70.29	432.79	2.79	-67.50
CCC(C)(C)[NH2+]C(C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894119	0	54	0.0	-70.05	417.83	0.73	-69.32
C#CC[N@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894158	1	51	0.0	-68.40	418.68	2.80	-65.60
C#CC[N@@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894158	1	51	0.0	-69.01	406.78	2.38	-66.63
NC1=CC=[NH+]C=C1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894160	0	42	0.0	-77.83	362.03	-1.91	-79.74
CCCC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024894169	0	51	0.0	-68.82	403.23	1.77	-67.05
C[NH+](C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894176	0	48	0.0	-73.60	371.83	1.12	-72.48
CC(CC[NH+](C)C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894194	0	51	0.0	-74.97	414.65	1.84	-73.13
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024894251	0	51	0.0	-69.07	407.42	2.58	-66.49
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024894251	1	51	0.0	-69.99	406.27	3.46	-66.53
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894280	0	52	0.0	-70.57	412.41	1.76	-68.81
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894280	1	52	0.0	-69.35	411.95	1.66	-67.69
C[NH+](C)CCCCCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894283	0	54	0.0	-73.95	439.68	3.04	-70.91
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300024894287	0	53	0.0	-76.77	429.06	-0.78	-77.55
CCC[N@@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894291	0	55	0.0	-66.49	432.85	2.97	-63.52
CCC[N@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894291	1	55	0.0	-67.43	432.71	3.03	-64.40
C[NH+]1CCN(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024894300	1	51	0.0	-72.29	412.99	-0.39	-72.68
CC1C[N@H+](C)CC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024894382	1	50	0.0	-74.47	399.79	0.93	-73.54
CC1C[N@@H+](C)CC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024894382	1	50	0.0	-83.95	407.90	1.14	-82.81
CCC1CCC[N@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024894411	0	55	0.0	-71.77	433.85	3.20	-68.57
CCC1CCC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024894411	1	55	0.0	-71.70	434.96	3.23	-68.47
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024894419	0	50	0.0	-88.48	415.16	1.46	-87.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024894432	0	47	0.0	-71.64	389.43	2.01	-69.63
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300024894443	0	53	0.0	-68.93	417.95	2.87	-66.06
C[N@@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894476	0	49	0.0	-67.73	394.62	1.66	-66.07
C[N@H+]1CCCCC1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894476	1	49	0.0	-68.78	393.43	1.60	-67.18
C[N@@H+]1CCC(=CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024894575	0	47	0.0	-79.31	392.16	1.64	-77.67
C[N@H+]1CCC(=CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024894575	1	47	0.0	-79.56	391.14	1.68	-77.88
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024894580	0	45	0.0	-71.61	389.84	-0.63	-72.24
[N-]=[N+]=NCC(=O)N1CC[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024894624	0	36	0.0	-26.85	330.96	-4.27	-31.12
CC[NH+]1CCN(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024894631	0	54	0.0	-71.19	430.23	0.25	-70.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300024894634	0	51	0.0	-70.41	408.73	2.51	-67.90
C[NH+](C)C1(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300024894667	0	52	0.0	-69.09	387.76	1.27	-67.82
C[N@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024894675	0	53	0.0	-68.82	425.16	-0.69	-69.51
C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300024894675	1	53	0.0	-69.75	423.47	-0.52	-70.27
CCC1C[NH+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024894678	0	49	0.0	-72.89	405.50	1.96	-70.93
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024894681	0	53	0.0	-70.00	405.24	2.50	-67.50
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894693	0	46	0.0	-68.70	375.47	0.94	-67.76
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894693	1	46	0.0	-70.07	371.57	0.59	-69.48
CC[N@@H+]1CCOCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894715	0	53	0.0	-73.93	417.75	0.45	-73.48
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024894819	0	49	0.0	-73.97	403.47	1.85	-72.12
C[NH+](C)C1CCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024894830	0	55	0.0	-65.91	423.24	2.77	-63.14
C[NH+](C)CCC1(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024894831	0	52	0.0	-76.88	424.70	2.50	-74.38
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024894832	0	55	0.0	-68.53	420.76	2.50	-66.03
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894833	0	50	0.0	-75.05	405.13	2.20	-72.85
C[N@H+]1CC=CCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894833	1	50	0.0	-75.05	405.13	2.20	-72.85
C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894885	0	49	0.0	-76.20	409.03	1.23	-74.97
CCCCC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894890	0	57	0.0	-75.65	457.41	3.64	-72.01
CCCCC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894890	1	57	0.0	-75.65	457.41	3.64	-72.01
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024894901	0	53	0.0	-73.08	428.90	1.95	-71.13
[NH2+]=C1SC=CN1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894924	0	42	0.0	-68.13	379.89	0.27	-67.86
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894989	0	52	0.0	-70.58	423.95	1.64	-68.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300024895020	0	55	0.0	-75.14	427.00	2.78	-72.36
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024895023	0	49	0.0	-71.15	395.70	1.98	-69.17
C[N@@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024895025	0	49	0.0	-66.25	387.82	1.74	-64.51
C[N@H+]1CCCC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024895025	1	49	0.0	-72.83	398.49	1.60	-71.23
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300024895026	0	53	0.0	-73.13	427.72	-0.70	-73.83
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024895027	0	52	0.0	-71.02	404.95	2.18	-68.84
CN1C=C[N+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024895032	0	44	0.0	-69.54	385.38	3.61	-65.93
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024895047	1	49	0.0	-85.19	413.63	1.88	-83.31
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024895062	1	50	0.0	-75.14	406.78	-1.37	-76.51
C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024895066	1	46	0.0	-69.04	383.57	1.52	-67.52
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024895068	1	54	0.0	-71.45	419.47	-0.39	-71.84
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300024895070	1	49	0.0	-77.79	408.72	1.93	-75.86
COC1C[N@@H+](C)C(C)(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024895079	1	53	0.0	-74.68	413.96	0.21	-74.47
CCOCC(N=[N+]=[N-])C(=O)N1CC[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024895087	0	46	0.0	-23.44	402.01	-3.58	-27.02
CC(CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024895095	0	51	0.0	-74.07	410.06	2.12	-71.95
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024895107	0	51	0.0	-69.31	404.48	0.24	-69.07
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024895107	1	51	0.0	-75.60	409.12	0.23	-75.37
CN1CCOCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895124	0	50	0.0	-69.04	397.26	-0.21	-69.25
C[N@@H+]1CCOCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895124	1	50	0.0	-67.61	397.10	-0.19	-67.80
C[N@H+]1CCOCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895124	1	50	0.0	-69.04	397.26	-0.21	-69.25
CC[NH+]1CCN(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024895132	0	54	0.0	-71.19	430.23	0.25	-70.94
CC1(O)CC[N@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024895221	0	50	0.0	-70.62	409.84	-1.48	-72.10
CC1(O)CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024895221	1	50	0.0	-70.69	409.90	-1.47	-72.16
C[NH+]1CC(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024895253	0	46	0.0	-72.90	385.42	0.96	-71.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024895257	0	53	0.0	-69.31	418.73	2.52	-66.79
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024895257	1	53	0.0	-69.72	418.14	2.52	-67.20
C[NH+](C)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895265	0	42	0.0	-72.06	354.15	0.10	-71.96
C[N@H+](CCO)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895291	0	49	0.0	-73.69	403.27	-1.88	-75.57
C[N@@H+](CCO)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895291	1	49	0.0	-72.72	404.55	-1.90	-74.62
C[C@@H](C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024895292	0	45	0.0	-69.92	369.76	0.44	-69.48
C[N@@H+]1CCCCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895309	0	52	0.0	-74.37	412.43	2.33	-72.04
C[N@H+]1CCCCC1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895309	1	52	0.0	-65.69	404.61	2.18	-63.51
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024895326	0	49	0.0	-69.84	402.44	1.66	-68.18
CC1CC[N@@H+]1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895330	1	46	0.0	-70.82	384.13	1.17	-69.65
CC1CC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895330	1	46	0.0	-69.25	379.92	0.91	-68.34
C[NH+](C)CC=CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895341	0	46	0.0	-80.64	390.53	1.35	-79.29
CC1(C)C[NH+](CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024895352	1	49	0.0	-71.89	403.48	1.71	-70.18
CC1=C(C)[NH+]=C(CCC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024895367	1	50	0.0	-67.64	424.20	1.44	-66.20
C[NH+](C)CCSCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895384	0	49	0.0	-82.56	420.05	2.09	-80.47
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024895407	0	50	0.0	-71.05	405.82	-1.36	-72.41
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300024895407	1	50	0.0	-70.46	403.75	-1.85	-72.31
CC[NH+](CC)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895411	0	48	0.0	-69.89	385.55	1.20	-68.69
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024895422	1	43	0.0	-71.87	364.24	0.52	-71.35
CC[NH+](CC)CCC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895462	0	51	0.0	-73.23	406.41	1.76	-71.47
C[NH+](C)CC1=CNC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024895519	0	50	0.0	-81.71	414.96	1.49	-80.22
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300024895536	0	53	0.0	-71.26	411.83	-1.39	-72.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024895540	0	51	0.0	-71.04	408.30	0.31	-70.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024895540	1	51	0.0	-71.55	407.08	0.32	-71.23
CC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024895551	0	46	0.0	-70.08	378.64	0.97	-69.11
CCC(CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024895556	0	54	0.0	-74.35	423.89	2.61	-71.74
C[NH+](C)CC(C)(C)C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895564	0	51	0.0	-69.02	390.39	1.25	-67.77
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895616	0	49	0.0	-69.73	381.63	1.18	-68.55
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895616	1	49	0.0	-68.37	393.33	1.63	-66.74
CC1CN2CC[N@@H+]1CC2C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895630	0	52	0.0	-77.62	401.37	-1.34	-78.96
CC1CN2CC[N@H+]1CC2C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895630	1	52	0.0	-76.20	402.77	-1.24	-77.44
C[NH+](C)CC(O)CC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895650	0	49	0.0	-77.01	406.74	-0.82	-77.83
C[NH+]1C2CCC1CC(C(=O)N1CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024895652	0	53	0.0	-71.99	413.59	2.22	-69.77
C=CCC(C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024895682	0	49	0.0	-69.24	395.88	1.55	-67.69
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300024895689	0	53	0.0	-70.57	417.98	2.63	-67.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300024895689	1	53	0.0	-69.69	417.32	2.69	-67.00
C[NH+]1CCC(C)(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024895700	0	52	0.0	-71.12	400.72	1.60	-69.52
C[NH+]1CCC(O)(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024895702	0	53	0.0	-74.15	423.05	0.46	-73.69
NC(=[NH2+])SCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895726	0	40	0.0	-77.22	361.91	-2.87	-80.09
CC[N@@H+]1CCOCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895753	0	53	0.0	-76.80	420.99	0.64	-76.16
C[NH+](C)C1CCC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024895766	0	55	0.0	-78.41	432.00	2.97	-75.44
C[NH+](C)CCC1(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024895767	0	52	0.0	-80.64	427.29	2.81	-77.83
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024895768	0	55	0.0	-67.78	426.30	2.83	-64.95
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895769	0	50	0.0	-69.35	400.18	2.18	-67.17
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895769	1	50	0.0	-69.35	400.18	2.18	-67.17
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895790	0	52	0.0	-73.60	429.64	1.91	-71.69
C[NH+]1C2CCC1CC(C(=O)N[C@@H]1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024895814	0	53	0.0	-75.33	396.94	2.64	-72.69
CCC1C[NH+](CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024895906	1	49	0.0	-74.41	405.36	2.00	-72.41
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300024895908	0	53	0.0	-67.62	415.44	2.93	-64.69
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895915	1	46	0.0	-72.96	374.14	0.69	-72.27
O=C(CC[N@@H+]1CCC(F)C1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895922	1	49	0.0	-79.21	407.20	1.92	-77.29
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024895930	1	53	0.0	-78.32	420.11	1.14	-77.18
O=C(CC[NH+]1CCCCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895937	0	55	0.0	-75.96	427.19	2.78	-73.18
O=C(C[NH+]1CCCCC1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895939	0	49	0.0	-73.08	394.91	2.03	-71.05
CC1C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024895948	0	49	0.0	-75.43	391.52	1.38	-74.05
CC1C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024895948	1	49	0.0	-74.46	395.17	1.39	-73.07
C[N@@H+]1CCCCC1CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895950	0	55	0.0	-73.42	435.06	3.09	-70.33
C[N@H+]1CCCCC1CCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895950	1	55	0.0	-73.84	435.50	3.08	-70.76
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300024895972	0	51	0.0	-71.72	408.17	0.43	-71.29
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC[N@H+]3CCOCC23)C1	REAL300024895972	1	51	0.0	-71.35	409.11	0.50	-70.85
CN1CCOCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895989	0	50	0.0	-81.28	404.63	-0.01	-81.29
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895989	1	50	0.0	-80.06	403.80	-0.03	-80.09
C[N@H+]1CCOCC1CC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024895989	1	50	0.0	-81.28	404.63	-0.01	-81.29
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024895996	1	50	0.0	-69.00	423.41	1.45	-67.55
CCOCC(N=[N+]=[N-])C(=O)N[C@@H]1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024896000	0	46	0.0	-24.84	404.99	-3.37	-28.21
C[NH+](C)CCSCC(=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896070	0	49	0.0	-80.88	420.89	2.10	-78.78
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300024896076	0	51	0.0	-71.90	411.67	0.52	-71.38
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2CC3COCC[N@H+]3C2)C1	REAL300024896076	1	51	0.0	-74.49	412.39	0.53	-73.96
CN(C(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896238	0	49	0.0	-71.99	385.30	2.34	-69.65
CN(C(=O)C1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896238	1	49	0.0	-73.42	385.67	2.34	-71.08
CN(C(=O)C1C[N@H+](C)CCO1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896262	1	50	0.0	-77.72	391.29	1.84	-75.88
CN(C(=O)C1C[N@@H+](C)CCO1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896262	1	50	0.0	-86.54	400.41	2.12	-84.42
CC(C)[N@@H+]1CCCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896406	0	55	0.0	-69.71	417.18	4.14	-65.57
CC(C)[N@H+]1CCCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896406	1	55	0.0	-67.97	420.63	3.71	-64.26
CC1=[NH+]C=CN1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896429	1	47	0.0	-70.65	396.13	3.42	-67.23
CN(C(=O)C1C[NH+]2CCC1CC2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896449	0	53	0.0	-78.37	403.97	3.37	-75.00
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024896477	0	52	0.0	-74.87	403.02	3.11	-71.76
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024896477	1	52	0.0	-74.00	407.72	3.35	-70.65
CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024896479	0	55	0.0	-76.27	419.00	3.37	-72.90
CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024896479	1	55	0.0	-74.08	423.36	3.83	-70.25
CC[N@@H+]1CCOC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024896484	1	53	0.0	-78.13	410.71	2.59	-75.54
CC[N@H+]1CCOC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024896484	1	53	0.0	-78.21	408.66	2.46	-75.75
CC1CCC(C)[NH+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896529	0	55	0.0	-69.66	423.48	3.70	-65.96
CN(C(=O)CCC[NH+]1CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896531	0	55	0.0	-74.91	436.54	4.39	-70.52
CN(C(=O)CC[NH+]1CCCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896534	0	55	0.0	-75.14	430.71	4.28	-70.86
CC[N@@H+]1CCCCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896537	0	55	0.0	-67.69	423.59	3.96	-63.73
CC[N@H+]1CCCCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896537	1	55	0.0	-70.68	416.57	3.75	-66.93
CN(C(=O)C1([NH+](C)C)CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896547	0	52	0.0	-76.51	395.64	2.87	-73.64
CC(C)[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024896553	0	54	0.0	-69.83	407.28	3.24	-66.59
CN(C(=O)C[N@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896571	0	52	0.0	-72.01	412.99	3.80	-68.21
CN(C(=O)C[N@@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896571	1	52	0.0	-71.73	412.82	3.80	-67.93
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896625	1	51	0.0	-69.72	412.33	3.59	-66.13
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896625	1	51	0.0	-71.85	418.44	3.99	-67.86
CN(C(=O)CCC1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896630	0	55	0.0	-73.64	428.73	3.87	-69.77
CN(C(=O)CCC1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896630	1	55	0.0	-76.93	434.04	4.36	-72.57
CN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896646	0	52	0.0	-75.24	408.35	3.24	-72.00
CN(C(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896673	0	52	0.0	-69.54	405.88	3.37	-66.17
CN(C(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896673	1	52	0.0	-70.93	407.10	3.42	-67.51
CN(C(=O)CC[NH+]1CCOCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896726	1	53	0.0	-78.50	421.98	1.86	-76.64
CC1=C[NH+]=CN1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896738	1	47	0.0	-72.62	395.41	4.13	-68.49
CN(C(=O)C12CCC[NH+]1CCC2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896754	0	53	0.0	-68.95	404.12	3.19	-65.76
CN(C(=O)CC1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896759	0	52	0.0	-74.85	412.48	3.43	-71.42
CN(C(=O)CC1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896759	1	52	0.0	-75.67	412.42	3.42	-72.25
CCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024896765	0	51	0.0	-69.75	391.95	2.65	-67.10
CN(C(=O)CCCC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896812	0	54	0.0	-75.14	430.79	3.97	-71.17
CC(C)C(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024896823	0	54	0.0	-70.51	406.40	3.21	-67.30
CCC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896824	0	54	0.0	-76.51	428.31	3.82	-72.69
CCC[N@@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896824	1	54	0.0	-76.74	428.12	3.84	-72.90
CCC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896827	0	51	0.0	-73.96	405.94	3.23	-70.73
CCC[N@@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896827	1	51	0.0	-73.90	405.94	3.24	-70.66
CN(C(=O)C12CC[N@H+](C1)CCC2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896840	0	53	0.0	-70.62	400.14	2.64	-67.98
CN(C(=O)C12CC[N@@H+](C1)CCC2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896840	1	53	0.0	-75.93	399.38	2.61	-73.32
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896862	0	49	0.0	-69.63	386.23	2.58	-67.05
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896862	1	49	0.0	-71.44	385.73	2.36	-69.08
CC[NH+](CC)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896889	0	51	0.0	-70.61	397.02	2.87	-67.74
CC1CC[NH+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024896942	0	55	0.0	-74.32	429.39	4.31	-70.01
CN(C(=O)C1(C[NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896960	0	52	0.0	-69.71	413.45	3.37	-66.34
CN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897006	0	52	0.0	-75.24	408.35	3.24	-72.00
CC(C)[C@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024897021	0	54	0.0	-70.05	407.17	3.23	-66.82
CCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024897048	0	57	0.0	-65.65	424.36	3.69	-61.96
CC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897078	0	51	0.0	-75.70	406.81	3.08	-72.62
CC[N@@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897078	1	51	0.0	-75.80	406.81	3.08	-72.72
CC1CCC[N@@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897101	0	52	0.0	-68.90	404.52	3.16	-65.74
CC1CCC[N@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897101	1	52	0.0	-70.99	412.11	3.61	-67.38
CC1CC[N@H+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024897102	0	52	0.0	-71.63	411.09	3.55	-68.08
CC1CC[N@@H+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024897102	1	52	0.0	-73.25	412.05	3.57	-69.68
CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897104	0	55	0.0	-73.36	431.96	4.06	-69.30
CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897104	1	55	0.0	-73.07	431.68	4.06	-69.01
CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897105	0	57	0.0	-73.49	436.84	4.38	-69.11
CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897105	1	57	0.0	-72.53	433.31	4.20	-68.33
CC[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024897112	0	51	0.0	-71.58	396.10	2.87	-68.71
CN(C(=O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897184	0	45	0.0	-72.97	365.43	1.80	-71.17
CN(C(=O)C[NH+]1CCCCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897187	0	55	0.0	-73.30	417.67	3.87	-69.43
CN(C(=O)C[N+]1=CN(C)C=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897190	0	47	0.0	-71.77	397.94	5.33	-66.44
CN(C(=O)C1CCC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897194	0	52	0.0	-74.51	406.22	3.19	-71.32
CN(C(=O)C1CCC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897194	1	52	0.0	-73.44	405.12	3.15	-70.29
CN(C(=O)C1CCC[N@@H+]1C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897199	0	53	0.0	-67.62	419.27	4.13	-63.49
CN(C(=O)C1CCC[N@H+]1C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897199	1	53	0.0	-68.27	417.40	4.03	-64.24
CC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024897211	1	49	0.0	-70.91	389.56	2.57	-68.34
CCC(CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024897215	0	57	0.0	-67.97	442.06	4.49	-63.48
CN(C(=O)C(C)(C)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897220	0	54	0.0	-68.31	401.13	2.90	-65.41
CN(C(=O)C[NH+]1CCC(O)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897231	1	53	0.0	-77.55	419.37	0.35	-77.20
CN(C(=O)C[N@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897232	0	49	0.0	-71.35	396.10	3.23	-68.12
CN(C(=O)C[N@@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897232	1	49	0.0	-71.56	396.12	3.23	-68.33
CN(C(=O)CC1C[NH+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897246	0	49	0.0	-75.45	398.15	2.67	-72.78
CN(C(=O)C1CC[N@@H+]1C(C)(C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897256	0	55	0.0	-70.67	427.21	3.49	-67.18
CN(C(=O)C1CC[N@H+]1C(C)(C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897256	1	55	0.0	-70.24	405.14	2.87	-67.37
C[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024897266	0	48	0.0	-71.70	382.53	2.18	-69.52
CN(C(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024897273	0	39	0.0	-25.03	343.68	-2.58	-27.61
CN(C(=O)CN1C=CSC1=[NH2+])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897315	0	45	0.0	-69.03	392.51	1.98	-67.05
CN(C(=O)CC[N@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897320	0	52	0.0	-75.94	416.98	-0.12	-76.06
CN(C(=O)CC[N@@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897320	1	52	0.0	-74.89	417.11	-0.14	-75.03
C[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024897321	0	48	0.0	-71.70	382.53	2.18	-69.52
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897324	0	52	0.0	-69.24	406.39	3.36	-65.88
CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897324	1	52	0.0	-74.30	399.72	3.04	-71.26
CN(C(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897369	1	46	0.0	-74.23	377.05	2.29	-71.94
CN(C(=O)C=C1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897383	0	50	0.0	-75.81	403.79	3.36	-72.45
CN(C(=O)C=C1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897383	1	50	0.0	-75.84	403.64	3.32	-72.52
CN(C(=O)COCC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897403	0	52	0.0	-73.47	422.62	2.92	-70.55
C=CCC(C)(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024897414	0	55	0.0	-67.94	411.92	3.39	-64.55
CN(C(=O)C1(C)CC(O)C[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897431	0	53	0.0	-69.26	407.54	-0.63	-69.89
CC1CN(CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024897448	0	49	0.0	-74.05	398.03	2.90	-71.15
CC1C[NH+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024897448	1	49	0.0	-74.05	398.03	2.90	-71.15
CN(CCO)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897465	0	49	0.0	-72.72	393.56	-0.76	-73.48
CN(C(=O)C[N@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897465	1	49	0.0	-74.48	394.54	-0.74	-75.22
CN(C(=O)C[N@@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897465	1	49	0.0	-74.48	394.54	-0.74	-75.22
CC[N@@H+]1CCCC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024897484	0	55	0.0	-73.24	424.09	3.84	-69.40
CC[N@H+]1CCCC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024897484	1	55	0.0	-73.24	424.09	3.84	-69.40
CC(CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024897486	0	54	0.0	-75.69	423.94	3.87	-71.82
CC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897489	0	48	0.0	-73.53	384.44	2.48	-71.05
CC[N@H+](CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024897513	0	52	0.0	-70.19	415.55	3.87	-66.32
CC[NH+](CC)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897521	0	54	0.0	-73.17	423.38	3.76	-69.41
CN(C(=O)CN1CC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897535	0	52	0.0	-74.26	417.12	3.39	-70.87
CN(C(=O)C[NH+]1CC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897535	1	52	0.0	-74.26	417.12	3.39	-70.87
CN(C(=O)C[N@@H+]1CCC(C)(O)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897551	0	53	0.0	-72.62	422.59	0.21	-72.41
CN(C(=O)C=CC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897554	0	49	0.0	-79.01	403.15	3.10	-75.91
COCCN(C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897567	0	52	0.0	-74.45	416.83	1.64	-72.81
COCC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897567	1	52	0.0	-72.96	415.81	1.64	-71.32
COCC[N@@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897567	1	52	0.0	-72.96	415.81	1.64	-71.32
CN(C(=O)C1([NH+](C)C)CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897584	0	55	0.0	-68.37	404.36	3.24	-65.13
CC(CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024897586	0	54	0.0	-72.52	422.72	3.58	-68.94
CCN1CCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897592	0	49	0.0	-71.67	395.67	2.67	-69.00
CC[N@@H+]1CCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897592	1	49	0.0	-72.94	398.01	2.79	-70.15
CC[N@H+]1CCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897592	1	49	0.0	-72.94	398.01	2.79	-70.15
CN(C(=O)C[N@@H+]1CCCC1CO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897602	0	53	0.0	-73.21	419.75	0.37	-72.84
CN(C(=O)C1(C)CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897618	0	55	0.0	-74.00	412.95	3.19	-70.81
C=CCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024897634	0	52	0.0	-70.07	406.30	3.28	-66.79
CN(C(=O)C1CC(C)(C)C[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897641	0	55	0.0	-70.36	425.40	3.53	-66.83
CN(C(=O)C1CC(C)(C)C[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897641	1	55	0.0	-70.36	425.40	3.53	-66.83
CN(C(=O)CCCCC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897643	0	57	0.0	-74.33	452.30	4.77	-69.56
CCCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024897660	0	54	0.0	-71.03	414.91	3.51	-67.52
CN(C(=O)C(C)(C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897663	0	51	0.0	-71.69	383.93	2.81	-68.88
CN(C(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897686	0	52	0.0	-70.93	407.10	3.42	-67.51
CN(C(=O)CC1=CC[N@H+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897705	0	53	0.0	-70.86	425.91	4.18	-66.68
CN(C(=O)CC1=CC[N@@H+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897705	1	53	0.0	-70.86	425.91	4.18	-66.68
CN(C(=O)C=CC[NH+]1CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897735	0	53	0.0	-76.93	427.18	4.20	-72.73
CN(C(=O)CC[NH+]1CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897762	0	52	0.0	-75.30	414.86	3.59	-71.71
CN(C(=O)C12CC(C1)C[N@@H+]2C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897787	0	50	0.0	-76.04	391.89	3.19	-72.85
CN(C(=O)C[N@@H+]1CC2CCC1C2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897792	0	53	0.0	-71.78	413.13	3.91	-67.87
CN(C(=O)C[N@H+]1CC2CCC1C2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897792	1	53	0.0	-71.78	413.13	3.91	-67.87
CN(C(=O)CN1CC2C=CC1C2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897827	0	51	0.0	-69.60	405.81	3.70	-65.90
CN(C(=O)C[N@@H+]1CC2C=CC1C2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897827	1	51	0.0	-71.87	405.97	3.81	-68.06
CN(C(=O)C[N@H+]1CC2C=CC1C2)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897827	1	51	0.0	-71.87	405.97	3.81	-68.06
CC(C[NH+](C)C)C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897857	0	51	0.0	-65.50	403.42	2.88	-62.62
CN(C(=O)CC1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897896	0	55	0.0	-66.02	418.46	3.92	-62.10
CN(C(=O)CC1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897896	1	55	0.0	-66.02	418.46	3.92	-62.10
CC1CCN1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897907	0	49	0.0	-70.97	397.21	2.88	-68.09
CC1CC[N@@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897907	1	49	0.0	-71.42	392.60	2.61	-68.81
CC1CC[N@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897907	1	49	0.0	-71.42	392.60	2.61	-68.81
CN(C(=O)CC(O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897909	0	52	0.0	-79.12	419.45	0.84	-78.28
CC1CN(C)CC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024897926	0	53	0.0	-84.87	413.77	2.41	-82.46
CC1C[N@H+](C)CC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024897926	1	53	0.0	-79.62	414.12	2.66	-76.96
CC1C[N@@H+](C)CC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024897926	1	53	0.0	-79.62	414.12	2.66	-76.96
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897964	0	52	0.0	-72.31	414.33	3.50	-68.81
CC(CC[NH+](C)C)C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897968	0	54	0.0	-75.13	421.88	3.46	-71.67
CN(C(=O)CN1CCN(C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897983	0	54	0.0	-73.40	425.73	1.32	-72.08
CN(C(=O)CN1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897983	1	54	0.0	-73.40	425.73	1.32	-72.08
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300024898153	0	49	0.0	-70.23	388.85	2.68	-67.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C)C1	REAL300024898153	1	49	0.0	-71.40	384.49	2.31	-69.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300024898179	1	50	0.0	-80.34	399.26	2.14	-78.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300024898179	1	50	0.0	-80.93	399.40	2.12	-78.81
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300024898327	1	53	0.0	-78.59	422.10	1.86	-76.73
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300024898335	0	53	0.0	-68.92	402.75	3.21	-65.71
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300024898358	0	52	0.0	-77.63	413.07	3.45	-74.18
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300024898358	1	52	0.0	-77.09	412.08	3.42	-73.67
CCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024898364	0	51	0.0	-72.89	395.56	2.84	-70.05
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCCC[NH+](C)C)C1	REAL300024898396	0	54	0.0	-77.30	432.19	4.00	-73.30
CC(C)C(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024898409	0	54	0.0	-74.20	410.28	3.28	-70.92
CCC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898410	0	54	0.0	-76.68	428.38	3.82	-72.86
CCC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898410	1	54	0.0	-76.88	428.11	3.84	-73.04
CCC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898413	0	51	0.0	-73.53	406.05	3.23	-70.30
CCC[N@@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898413	1	51	0.0	-73.53	406.02	3.24	-70.29
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300024898426	0	53	0.0	-76.45	398.54	2.63	-73.82
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300024898426	1	53	0.0	-76.30	399.09	2.66	-73.64
CC1CC[NH+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024898451	0	55	0.0	-73.89	429.36	4.31	-69.58
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300024898488	0	52	0.0	-75.28	414.99	3.39	-71.89
CC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898505	0	51	0.0	-75.90	406.89	3.08	-72.82
CC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898505	1	51	0.0	-76.38	405.51	3.06	-73.32
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300024898517	0	53	0.0	-78.88	404.06	3.37	-75.51
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300024898555	0	52	0.0	-78.63	411.05	3.36	-75.27
CC(C)[C@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024898570	0	54	0.0	-73.81	409.29	3.37	-70.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300024898633	0	52	0.0	-72.46	393.54	2.76	-69.70
CCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300024898660	0	57	0.0	-67.69	427.75	3.95	-63.74
CC1CCC[N@@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898669	0	52	0.0	-70.48	411.70	3.51	-66.97
CC1CCC[N@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898669	1	52	0.0	-71.19	410.78	3.59	-67.60
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898696	0	55	0.0	-68.91	422.04	3.76	-65.15
CC(C)[N@H+]1CCCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898696	1	55	0.0	-69.71	417.36	4.24	-65.47
CC(C)[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024898703	0	54	0.0	-71.46	406.98	3.23	-68.23
CC1CC[N@H+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024898713	0	52	0.0	-72.64	411.16	3.48	-69.16
CC1CC[N@@H+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024898713	1	52	0.0	-72.85	411.91	3.52	-69.33
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300024898715	0	55	0.0	-72.79	430.73	4.06	-68.73
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300024898715	1	55	0.0	-72.84	432.35	4.09	-68.75
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300024898716	0	57	0.0	-73.29	436.28	4.41	-68.88
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300024898716	1	57	0.0	-73.42	434.65	4.23	-69.19
CC[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024898723	0	51	0.0	-70.32	392.21	2.67	-67.65
CC1=[NH+]C=CN1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898803	1	47	0.0	-69.86	396.22	3.42	-66.44
CC[N@@H+]1CCOC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024898846	1	53	0.0	-82.44	416.48	2.72	-79.72
CC[N@H+]1CCOC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024898846	1	53	0.0	-84.70	416.69	2.75	-81.95
CC1=C[NH+]=CN1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898866	1	47	0.0	-72.58	396.26	4.20	-68.38
C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024898871	0	52	0.0	-77.72	400.35	2.75	-74.97
C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024898871	1	52	0.0	-78.11	408.29	3.06	-75.05
CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024898873	0	55	0.0	-75.30	419.00	3.33	-71.97
CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024898873	1	55	0.0	-75.62	423.62	3.69	-71.93
CC1CCC(C)[NH+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898878	0	55	0.0	-69.62	423.93	3.84	-65.78
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300024898880	0	55	0.0	-75.20	435.03	4.28	-70.92
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300024898884	0	55	0.0	-75.40	430.52	4.31	-71.09
CC[N@@H+]1CCCCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898887	0	55	0.0	-70.99	415.99	3.73	-67.26
CC[N@H+]1CCCCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024898887	1	55	0.0	-68.33	425.03	4.01	-64.32
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300024898967	0	52	0.0	-71.59	412.94	3.80	-67.79
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300024898967	1	52	0.0	-71.47	412.72	3.85	-67.62
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300024898991	0	52	0.0	-78.63	411.05	3.36	-75.27
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300024899013	0	49	0.0	-70.35	388.95	2.68	-67.67
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300024899013	1	49	0.0	-70.95	385.33	2.31	-68.64
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024899030	1	51	0.0	-69.41	411.99	3.53	-65.88
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024899030	1	51	0.0	-70.46	414.88	3.93	-66.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300024899035	0	55	0.0	-73.91	427.33	3.86	-70.05
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300024899035	1	55	0.0	-76.95	434.20	4.35	-72.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300024899098	0	52	0.0	-70.88	406.18	3.32	-67.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300024899098	1	52	0.0	-72.77	398.18	3.08	-69.69
CC1C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024899147	0	52	0.0	-76.21	408.62	3.04	-73.17
CC1C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024899147	1	52	0.0	-75.74	407.35	3.39	-72.35
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300024899197	0	55	0.0	-70.61	428.33	3.54	-67.07
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300024899197	1	55	0.0	-71.51	405.58	2.86	-68.65
C[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024899210	0	48	0.0	-71.55	382.60	2.16	-69.39
C=CCC(C)(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024899222	0	55	0.0	-66.91	411.66	3.39	-63.52
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024899234	0	52	0.0	-75.46	414.85	3.60	-71.86
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CCO)C1	REAL300024899242	1	49	0.0	-74.13	394.58	-0.70	-74.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CCO)C1	REAL300024899242	1	49	0.0	-73.72	394.69	-0.74	-74.46
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300024899288	0	53	0.0	-72.84	424.66	4.16	-68.68
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300024899288	1	53	0.0	-71.29	424.58	4.16	-67.13
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300024899306	0	53	0.0	-70.46	405.80	-0.74	-71.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300024899306	1	53	0.0	-80.30	404.52	-0.43	-80.73
CC1C[NH+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024899332	1	49	0.0	-73.85	395.86	2.94	-70.91
CC[N@@H+]1CCCC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024899338	0	55	0.0	-64.40	418.02	4.06	-60.34
CC[N@H+]1CCCC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024899338	1	55	0.0	-69.21	428.29	4.01	-65.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024899349	0	53	0.0	-71.52	416.27	3.76	-67.76
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024899349	1	53	0.0	-68.63	415.09	4.03	-64.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300024899370	0	53	0.0	-77.53	425.07	4.09	-73.44
CC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024899407	0	48	0.0	-73.26	384.52	2.50	-70.76
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300024899436	0	51	0.0	-70.34	404.27	3.66	-66.68
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300024899436	1	51	0.0	-69.81	405.96	3.73	-66.08
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300024899436	1	51	0.0	-69.81	405.96	3.73	-66.08
COCCN(C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024899511	0	52	0.0	-73.44	416.95	1.68	-71.76
COCC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024899511	1	52	0.0	-74.85	417.13	1.67	-73.18
COCC[N@@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024899511	1	52	0.0	-74.85	417.13	1.67	-73.18
CC(CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024899514	0	54	0.0	-79.51	420.47	3.59	-75.92
CC[N@H+](CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024899527	0	52	0.0	-69.70	411.63	3.58	-66.12
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300024899552	0	50	0.0	-74.92	390.08	3.05	-71.87
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300024899559	0	53	0.0	-70.67	411.15	3.74	-66.93
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300024899559	1	53	0.0	-70.67	411.15	3.74	-66.93
CC(C[NH+](C)C)C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024899572	0	51	0.0	-76.44	405.49	2.98	-73.46
CCN1CCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024899600	0	49	0.0	-73.27	398.37	2.78	-70.49
CC[N@@H+]1CCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024899600	1	49	0.0	-70.41	389.93	2.42	-67.99
CC[N@H+]1CCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024899600	1	49	0.0	-70.41	389.93	2.42	-67.99
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024899606	0	57	0.0	-70.04	430.94	2.31	-67.73
CCCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024899636	0	54	0.0	-73.64	417.06	3.59	-70.05
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300024899640	0	51	0.0	-77.27	385.51	2.46	-74.81
CC(CC[NH+](C)C)C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024899653	0	54	0.0	-76.45	427.15	3.61	-72.84
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300024899701	0	55	0.0	-70.04	425.17	3.44	-66.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300024899701	1	55	0.0	-70.04	425.17	3.44	-66.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCCCC[NH+](C)C)C1	REAL300024899703	0	57	0.0	-76.39	453.69	4.77	-71.62
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CN2CCN(C)CC2)C1	REAL300024899710	0	54	0.0	-73.74	425.66	1.35	-72.39
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300024899710	1	54	0.0	-73.74	425.66	1.35	-72.39
CC1CN(C)CC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024899751	0	53	0.0	-86.02	412.75	2.37	-83.65
CC1C[N@H+](C)CC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024899751	1	53	0.0	-80.32	413.31	2.68	-77.64
CC1C[N@@H+](C)CC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024899751	1	53	0.0	-80.32	413.31	2.68	-77.64
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024899778	0	50	0.0	-73.70	401.96	3.75	-69.95
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300024899795	0	52	0.0	-72.77	398.18	3.08	-69.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300024899853	0	50	0.0	-77.61	404.72	3.37	-74.24
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300024899853	1	50	0.0	-77.61	404.72	3.37	-74.24
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300024899855	0	48	0.0	-74.47	402.54	1.10	-73.37
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300024899905	0	55	0.0	-68.31	400.58	3.00	-65.31
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300024899921	0	49	0.0	-70.32	391.56	2.72	-67.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300024899921	1	49	0.0	-70.32	391.56	2.72	-67.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300024899999	0	52	0.0	-74.15	416.25	3.58	-70.57
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300024900007	0	55	0.0	-78.40	438.18	4.18	-74.22
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300024900008	0	53	0.0	-78.37	416.95	3.90	-74.47
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300024900008	1	53	0.0	-78.37	416.95	3.90	-74.47
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)COCC[NH+](C)C)C1	REAL300024900036	0	52	0.0	-73.55	422.62	2.95	-70.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300024900060	0	45	0.0	-70.26	393.88	2.00	-68.26
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024900115	0	52	0.0	-73.08	408.53	3.70	-69.38
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300024900116	0	52	0.0	-72.29	400.43	3.20	-69.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300024900116	1	52	0.0	-75.48	405.60	3.16	-72.32
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300024900117	0	55	0.0	-72.40	417.74	3.88	-68.52
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300024900120	0	47	0.0	-70.91	398.02	5.35	-65.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300024900139	1	53	0.0	-78.25	419.68	0.38	-77.87
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300024900140	1	49	0.0	-70.64	395.79	3.26	-67.38
CCOCC(N=[N+]=[N-])C(=O)N1CCC(N(C)C(=O)CSC2=NC(=O)NN2)C1	REAL300024900155	0	49	0.0	-23.76	416.03	-2.01	-25.77
CC(CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024900158	0	54	0.0	-76.15	423.85	3.87	-72.28
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300024900175	1	53	0.0	-80.56	416.83	1.68	-78.88
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2COCC[N@H+]2C)C1	REAL300024900175	1	53	0.0	-71.04	409.91	1.53	-69.51
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300024900236	0	53	0.0	-74.24	422.46	0.22	-74.02
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300024900236	1	53	0.0	-72.29	422.61	0.23	-72.06
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2C[NH+](C)C2)C1	REAL300024900257	0	49	0.0	-75.98	398.08	2.67	-73.31
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)C1	REAL300024900266	0	45	0.0	-73.97	366.83	1.83	-72.14
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[N@H+](C)CCO)C1	REAL300024900280	0	52	0.0	-76.06	416.97	-0.13	-76.19
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[N@@H+](C)CCO)C1	REAL300024900280	1	52	0.0	-75.31	417.18	-0.15	-75.46
C[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024900281	0	48	0.0	-71.55	382.60	2.16	-69.39
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300024900295	0	55	0.0	-76.82	425.45	4.04	-72.78
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300024900295	1	55	0.0	-76.55	424.75	4.01	-72.54
CC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024900305	0	52	0.0	-67.70	415.40	3.34	-64.36
CC1CC[N@@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900307	1	49	0.0	-72.55	398.03	2.90	-69.65
CC1CC[N@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900307	1	49	0.0	-72.70	397.21	2.89	-69.81
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+](C)C)C1	REAL300024900313	0	49	0.0	-78.70	400.45	3.02	-75.68
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300024900318	1	52	0.0	-73.74	416.22	3.39	-70.35
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300024900352	0	53	0.0	-72.93	415.06	-0.13	-73.06
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300024900352	1	53	0.0	-72.49	415.52	-0.12	-72.61
CC[NH+](CC)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900354	0	51	0.0	-71.88	398.38	2.91	-68.97
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024900363	1	46	0.0	-73.82	377.08	2.31	-71.51
CC[NH+](CC)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900391	0	54	0.0	-75.17	420.43	3.50	-71.67
CC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024900441	0	49	0.0	-71.13	386.52	2.44	-68.69
CCC(CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024900446	0	57	0.0	-76.54	438.30	4.33	-72.21
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300024900451	0	54	0.0	-71.24	402.87	2.99	-68.25
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300024900480	0	52	0.0	-70.88	405.92	3.36	-67.52
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300024900480	1	52	0.0	-74.63	399.24	3.08	-71.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC(O)C[NH+](C)C)C1	REAL300024900499	0	52	0.0	-79.65	419.42	0.90	-78.75
C=CCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024900519	0	52	0.0	-71.20	408.52	3.28	-67.92
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300024900530	0	55	0.0	-74.97	413.43	3.33	-71.64
CN(C(=O)CSC(N)=[NH2+])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900551	0	43	0.0	-76.44	374.67	-1.16	-77.60
CN(C(=O)C1(CC[NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900574	0	55	0.0	-76.82	437.42	4.18	-72.64
CN(C(=O)CC1CC=CC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900575	0	53	0.0	-77.80	418.16	3.93	-73.87
CN(C(=O)CC1CC=CC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900575	1	53	0.0	-77.95	417.68	3.92	-74.03
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900661	0	49	0.0	-70.57	389.28	2.71	-67.86
CC1C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024900683	0	52	0.0	-74.01	407.42	3.36	-70.65
CC1C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024900683	1	52	0.0	-74.01	407.42	3.36	-70.65
CN(C(=O)CC1COCCN1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900711	0	53	0.0	-69.02	409.64	1.54	-67.48
CN(C(=O)CC1COCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900711	1	53	0.0	-80.85	417.07	1.67	-79.18
CN(C(=O)CC1COCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900711	1	53	0.0	-80.85	417.07	1.67	-79.18
CCN(C(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900924	0	52	0.0	-69.23	403.47	3.33	-65.90
CCN(C(=O)C1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900924	1	52	0.0	-69.23	403.47	3.33	-65.90
CCN(C(=O)CN1C=CN=C1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901084	0	50	0.0	-67.83	414.14	4.43	-63.40
CCN(C(=O)CN1C=C[NH+]=C1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901084	1	50	0.0	-67.83	414.14	4.43	-63.40
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901100	0	55	0.0	-74.81	424.72	3.81	-71.00
CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901100	1	55	0.0	-74.81	424.72	3.81	-71.00
CCN(C(=O)C[N@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901123	0	55	0.0	-70.29	430.77	4.80	-65.49
CCN(C(=O)C[N@@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901123	1	55	0.0	-70.29	430.77	4.80	-65.49
CCN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901146	0	55	0.0	-73.12	424.92	4.04	-69.08
CCN(C(=O)CN1C=[NH+]C=C1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901161	1	50	0.0	-72.14	413.37	5.13	-67.01
CCN(C(=O)CC1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901168	0	55	0.0	-74.47	430.64	4.42	-70.05
CCN(C(=O)CC1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901168	1	55	0.0	-73.51	431.55	4.42	-69.09
CCC(C(=O)N(CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024901171	0	54	0.0	-69.10	411.05	3.53	-65.57
CCN(C(=O)CCCC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901182	0	57	0.0	-74.97	450.03	5.00	-69.97
CCC[N@H+](C)CCC(=O)N(CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901185	0	57	0.0	-74.52	445.76	4.77	-69.75
CCC[N@@H+](C)CCC(=O)N(CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901185	1	57	0.0	-75.33	446.26	4.83	-70.50
CCC[N@H+](C)CC(=O)N(CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901186	0	54	0.0	-72.83	423.90	4.24	-68.59
CCC[N@@H+](C)CC(=O)N(CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901186	1	54	0.0	-72.94	423.90	4.23	-68.71
CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901198	0	52	0.0	-69.40	405.34	3.43	-65.97
CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901198	1	52	0.0	-72.57	402.48	3.09	-69.48
CCN(C(=O)C[NH+](CC)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901206	0	54	0.0	-69.76	420.40	4.15	-65.61
CCN(C(=O)C1(C[NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901251	0	55	0.0	-69.11	426.36	4.07	-65.04
CCN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901265	0	55	0.0	-73.12	424.92	4.04	-69.08
CCN(C(=O)CC[N@H+](C)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901290	0	54	0.0	-73.74	424.27	4.02	-69.72
CCN(C(=O)CC[N@@H+](C)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901290	1	54	0.0	-73.83	424.84	4.08	-69.75
CCN(C(=O)C[N@@H+]1CCCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901298	0	55	0.0	-69.73	429.83	4.59	-65.14
CCN(C(=O)C[N@H+]1CCCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901298	1	55	0.0	-69.93	429.85	4.59	-65.34
CCN(C(=O)C[N@@H+]1CCC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901299	0	55	0.0	-72.39	429.90	4.55	-67.84
CCN(C(=O)C[N@H+]1CCC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901299	1	55	0.0	-71.13	430.89	4.46	-66.67
CC[C@@H](C(=O)N(CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024901301	0	54	0.0	-69.92	410.15	3.46	-66.46
CCN(C(=O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901329	0	48	0.0	-73.19	384.66	2.82	-70.37
CCN(C(=O)C[N+]1=CN(C)C=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901330	0	50	0.0	-68.81	415.90	6.33	-62.48
CCN(C(=O)C1CCC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901333	0	55	0.0	-67.01	416.88	4.31	-62.70
CCN(C(=O)C1CCC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901333	1	55	0.0	-73.35	426.78	4.03	-69.32
CCN(C(=O)C(C)[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901339	1	52	0.0	-71.30	404.44	3.33	-67.97
CCN(C(=O)C[N@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901348	0	52	0.0	-69.23	413.57	4.16	-65.07
CCN(C(=O)C[N@@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901348	1	52	0.0	-69.93	413.94	4.24	-65.69
CCN(C(=O)CC1C[NH+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901357	0	52	0.0	-73.41	416.16	3.68	-69.73
CCN(C(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901369	0	51	0.0	-69.65	393.05	2.80	-66.85
CCN(C(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024901376	0	42	0.0	-23.11	361.64	-1.58	-24.69
CCN(C(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901402	0	51	0.0	-69.65	393.05	2.80	-66.85
CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901405	0	55	0.0	-69.11	422.76	4.10	-65.01
CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901405	1	55	0.0	-70.29	412.96	3.73	-66.56
CCN(C(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901429	1	49	0.0	-72.38	395.01	3.29	-69.09
CCN(C(=O)C=C1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901436	0	53	0.0	-75.22	424.60	4.45	-70.77
CCN(C(=O)C=C1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901436	1	53	0.0	-75.84	424.52	4.46	-71.38
CCN(C(=O)[C@@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901451	0	51	0.0	-71.51	398.32	2.90	-68.61
CCN(C(=O)C[NH+]1CC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901466	1	52	0.0	-72.94	414.85	3.97	-68.97
CCN(C(=O)C[N@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901478	1	52	0.0	-74.00	412.74	0.25	-73.75
CCN(C(=O)C[N@@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901478	1	52	0.0	-71.92	412.06	0.19	-71.73
CCN(C(=O)CC(C)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901488	0	57	0.0	-76.90	441.34	4.80	-72.10
CCN(C(=O)C[N@H+](C)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901490	0	51	0.0	-72.54	402.40	3.49	-69.05
CCN(C(=O)C[N@@H+](C)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901490	1	51	0.0	-72.51	402.40	3.48	-69.03
CCN(C(=O)C[N@H+](CC)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901499	0	55	0.0	-69.77	433.89	4.87	-64.90
CCN(C(=O)C[N@@H+](CC)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901499	1	55	0.0	-68.18	433.49	4.84	-63.34
CCN(C(=O)CC[NH+](CC)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901504	0	57	0.0	-73.78	438.27	4.51	-69.27
CCN(C(=O)C[NH+]1CC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901512	1	55	0.0	-73.06	435.30	4.43	-68.63
CCN(C(=O)C=CC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901517	0	52	0.0	-76.34	422.90	4.16	-72.18
CCN(C(=O)CCC(C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901530	0	57	0.0	-72.61	441.95	4.60	-68.01
CCN(C(=O)C1CC[N@@H+]1CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901534	1	52	0.0	-71.85	412.87	3.67	-68.18
CCN(C(=O)C1CC[N@H+]1CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901534	1	52	0.0	-70.80	410.40	3.35	-67.45
C=CCC(C(=O)N(CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024901552	0	55	0.0	-71.80	427.01	4.16	-67.64
CCN(C(=O)C[NH+]1CC2CC2C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901559	0	53	0.0	-73.07	420.00	4.69	-68.38
CCCC(C(=O)N(CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024901563	0	57	0.0	-72.07	434.13	4.42	-67.65
CCN(C(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901573	0	55	0.0	-71.40	414.23	3.81	-67.59
CCN(C(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901573	1	55	0.0	-68.14	411.23	3.62	-64.52
CCN(C(=O)CC[NH+]1CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901605	0	55	0.0	-73.21	432.50	4.52	-68.69
CCN(C(=O)C(C)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901639	0	54	0.0	-68.53	417.09	3.67	-64.86
CCN(C(=O)C(C)[NH+]1CC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901658	0	55	0.0	-70.35	423.95	3.99	-66.36
CCN(C(=O)C[N@@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901659	1	52	0.0	-71.98	416.03	3.89	-68.09
CCN(C(=O)C[N@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901659	1	52	0.0	-69.98	410.49	3.64	-66.34
CCN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901686	0	55	0.0	-73.92	425.13	4.07	-69.85
CCN(C(=O)C(C)CC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901687	0	57	0.0	-70.55	442.65	4.29	-66.26
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300024901852	0	52	0.0	-66.81	406.77	3.71	-63.10
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C)C1	REAL300024901852	1	52	0.0	-68.13	404.96	3.63	-64.50
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300024901878	1	53	0.0	-78.15	417.48	3.14	-75.01
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300024901878	1	53	0.0	-79.84	409.98	2.90	-76.94
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300024902028	0	55	0.0	-76.02	431.00	4.46	-71.56
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300024902028	1	55	0.0	-76.15	431.00	4.46	-71.69
CCC(C(=O)N1CCC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024902031	0	54	0.0	-65.63	411.71	3.72	-61.91
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCCC[NH+](C)C)C1	REAL300024902041	0	57	0.0	-75.43	450.04	5.00	-70.43
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C(C)C)[NH+](C)C)C1	REAL300024902044	0	57	0.0	-70.86	428.17	4.62	-66.24
CCC[N@H+](C)CCC(=O)N1CCC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024902045	0	57	0.0	-73.19	445.82	4.79	-68.40
CCC[N@@H+](C)CCC(=O)N1CCC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024902045	1	57	0.0	-73.19	446.34	4.83	-68.36
CCC[N@H+](C)CC(=O)N1CCC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024902046	0	54	0.0	-69.79	423.90	4.25	-65.54
CCC[N@@H+](C)CC(=O)N1CCC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024902046	1	54	0.0	-69.80	423.91	4.25	-65.55
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300024902085	0	55	0.0	-75.31	432.28	4.37	-70.94
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[N@H+](C)CC)C1	REAL300024902091	0	54	0.0	-72.32	424.32	4.05	-68.27
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[N@@H+](C)CC)C1	REAL300024902091	1	54	0.0	-72.50	424.32	4.04	-68.46
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300024902113	0	55	0.0	-76.32	428.94	4.37	-71.95
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	REAL300024902128	0	57	0.0	-66.31	428.23	4.29	-62.02
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300024902150	0	55	0.0	-75.27	411.48	3.76	-71.51
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300024902174	0	55	0.0	-66.63	429.59	4.58	-62.05
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCCC2C)C1	REAL300024902174	1	55	0.0	-66.97	429.62	4.52	-62.45
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	REAL300024902185	0	57	0.0	-65.39	428.64	4.33	-61.06
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300024902193	0	55	0.0	-68.42	430.22	4.50	-63.92
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300024902193	1	55	0.0	-68.16	429.53	4.49	-63.67
CC[C@@H](C(=O)N1CCC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024902195	0	54	0.0	-70.09	415.02	3.88	-66.21
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CN2C=C[NH+]=C2C)C1	REAL300024902232	1	50	0.0	-67.97	414.10	4.43	-63.54
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CN2C=[NH+]C=C2C)C1	REAL300024902250	1	50	0.0	-68.78	414.46	5.17	-63.61
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300024902251	0	55	0.0	-70.94	421.09	4.10	-66.84
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300024902251	1	55	0.0	-76.11	426.45	4.05	-72.06
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300024902281	0	55	0.0	-67.53	430.79	4.82	-62.71
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300024902281	1	55	0.0	-67.88	430.92	4.82	-63.06
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300024902287	0	55	0.0	-76.32	428.94	4.37	-71.95
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300024902300	0	52	0.0	-68.15	406.80	3.68	-64.47
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300024902300	1	52	0.0	-66.50	403.41	3.32	-63.18
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300024902343	0	55	0.0	-64.38	424.04	4.34	-60.04
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300024902343	1	55	0.0	-67.81	424.64	4.32	-63.49
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300024902372	0	55	0.0	-70.55	425.35	4.34	-66.21
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300024902372	1	55	0.0	-70.49	425.13	4.38	-66.11
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300024902413	0	51	0.0	-70.32	399.69	3.12	-67.20
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024902431	0	55	0.0	-72.09	433.08	4.59	-67.50
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CCO)C1	REAL300024902436	1	52	0.0	-70.08	412.76	0.28	-69.80
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CCO)C1	REAL300024902436	1	52	0.0	-71.00	412.55	0.28	-70.72
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)C2)C1	REAL300024902479	1	52	0.0	-70.51	414.23	3.93	-66.58
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CC)C1	REAL300024902511	0	51	0.0	-69.60	402.41	3.51	-66.09
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CC)C1	REAL300024902511	1	51	0.0	-69.61	402.40	3.51	-66.10
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCC(C)[NH+](C)C)C1	REAL300024902564	0	57	0.0	-74.84	438.31	4.60	-70.24
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](CC)C2CC2)C1	REAL300024902569	0	55	0.0	-67.60	425.56	4.69	-62.91
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](CC)C2CC2)C1	REAL300024902569	1	55	0.0	-66.77	433.83	4.88	-61.89
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300024902582	0	53	0.0	-70.09	411.98	3.81	-66.28
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300024902582	1	53	0.0	-75.48	408.44	4.04	-71.44
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)C[NH+](C)C)C1	REAL300024902591	0	54	0.0	-74.73	423.24	3.97	-70.76
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CC2)C1	REAL300024902597	0	52	0.0	-70.67	405.14	3.38	-67.29
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300024902607	0	51	0.0	-66.79	400.48	3.13	-63.66
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@@H+]2CC)C1	REAL300024902610	1	52	0.0	-68.48	407.86	3.43	-65.05
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@H+]2CC)C1	REAL300024902610	1	52	0.0	-69.41	415.20	3.71	-65.70
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300024902621	0	48	0.0	-69.80	392.68	0.81	-68.99
CCCC(C(=O)N1CCC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024902625	0	57	0.0	-67.71	434.94	4.60	-63.11
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300024902628	0	54	0.0	-72.84	402.03	3.64	-69.20
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)CC[NH+](C)C)C1	REAL300024902637	0	57	0.0	-76.00	444.87	4.58	-71.42
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024902696	0	53	0.0	-69.71	420.13	4.74	-64.97
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300024902704	0	55	0.0	-64.38	424.04	4.34	-60.04
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300024902704	1	55	0.0	-67.81	424.64	4.32	-63.49
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300024902729	0	53	0.0	-76.56	422.84	4.38	-72.18
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300024902729	1	53	0.0	-76.79	422.16	4.33	-72.46
CCN(C(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])C1	REAL300024902736	0	42	0.0	-23.57	361.68	-1.57	-25.14
CCC1C[NH+](CC(=O)N2CCC(N(CC)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024902752	0	55	0.0	-71.32	437.13	4.64	-66.68
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300024902757	0	52	0.0	-71.17	403.32	3.33	-67.84
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300024902757	1	52	0.0	-66.22	407.60	3.59	-62.63
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300024902797	0	55	0.0	-75.26	434.14	4.58	-70.68
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024902838	0	55	0.0	-69.24	426.40	4.71	-64.53
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300024902839	0	55	0.0	-64.63	418.76	4.25	-60.38
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300024902839	1	55	0.0	-71.78	424.46	4.15	-67.63
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300024902840	0	50	0.0	-68.98	415.90	6.36	-62.62
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CC2)C1	REAL300024902850	0	52	0.0	-67.22	414.11	4.26	-62.96
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300024902850	1	52	0.0	-66.55	414.01	4.26	-62.29
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC(C)C[NH+](C)C)C1	REAL300024902858	0	57	0.0	-73.79	441.85	4.87	-68.92
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2C[NH+](C)C2)C1	REAL300024902907	0	52	0.0	-71.95	415.95	3.68	-68.27
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)C1	REAL300024902914	0	48	0.0	-70.60	384.70	2.84	-67.76
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300024902922	0	51	0.0	-70.32	399.69	3.12	-67.20
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300024902936	0	55	0.0	-70.48	432.08	4.37	-66.11
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300024902937	1	52	0.0	-68.57	415.97	3.90	-64.67
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC2C)C1	REAL300024902937	1	52	0.0	-68.55	415.96	3.91	-64.64
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+](C)C)C1	REAL300024902939	0	52	0.0	-76.06	419.89	4.03	-72.03
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300024902943	1	55	0.0	-69.99	435.04	4.41	-65.58
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](CC)CC)C1	REAL300024902956	0	54	0.0	-68.64	420.77	4.20	-64.44
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)C1	REAL300024902961	1	49	0.0	-70.32	394.97	3.32	-67.00
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[NH+](CC)CC)C1	REAL300024902979	0	57	0.0	-72.40	438.27	4.51	-67.89
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300024903007	0	52	0.0	-66.14	405.73	3.36	-62.78
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300024903011	0	57	0.0	-63.74	421.10	3.98	-59.76
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300024903031	0	55	0.0	-65.49	425.22	4.38	-61.11
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300024903031	1	55	0.0	-72.58	416.52	4.08	-68.50
C=CCC(C(=O)N1CCC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024903050	0	55	0.0	-64.63	425.63	4.22	-60.41
CCN(C(=O)CSC(N)=[NH2+])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903073	0	46	0.0	-74.98	392.12	-0.19	-75.17
CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903123	0	52	0.0	-71.18	400.95	3.03	-68.15
CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903123	1	52	0.0	-69.37	403.01	3.31	-66.06
CCN(C(=O)C[NH+]1CCCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903130	0	55	0.0	-72.69	426.43	4.67	-68.02
CCN(C(=O)C1CC[N@H+](C)C1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903133	0	55	0.0	-73.28	421.52	3.68	-69.60
CCN(C(=O)C1CC[N@@H+](C)C1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903133	1	55	0.0	-73.37	414.22	3.40	-69.97
C[N@@H+]1CCCC1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903333	0	52	0.0	-71.79	403.15	2.44	-69.35
C[N@H+]1CCCC1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903333	1	52	0.0	-66.44	407.45	2.88	-63.56
C[N@@H+]1CCOC(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024903357	1	53	0.0	-75.63	411.30	2.20	-73.43
C[N@H+]1CCOC(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024903357	1	53	0.0	-75.60	411.31	2.18	-73.42
CC1=[NH+]C=CN1CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903496	1	50	0.0	-68.56	412.60	3.51	-65.05
C[C@@H]1[C@H](C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024903514	0	55	0.0	-75.43	420.69	3.08	-72.35
C[C@@H]1[C@H](C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024903514	1	55	0.0	-68.91	423.14	3.35	-65.56
C[NH+](C)C1(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024903534	0	55	0.0	-80.17	415.76	3.43	-76.74
CC(C)[C@@H](C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024903536	0	57	0.0	-69.00	425.32	3.40	-65.60
C[N@H+](CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024903545	0	55	0.0	-69.32	429.27	3.88	-65.44
C[N@@H+](CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024903545	1	55	0.0	-69.61	429.41	3.89	-65.72
C[NH+]1CCC(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024903569	0	55	0.0	-80.12	427.75	3.55	-76.57
C[N@@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903575	0	55	0.0	-69.05	415.83	3.31	-65.74
C[N@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903575	1	55	0.0	-69.11	415.82	3.32	-65.79
CC1=C[NH+]=CN1CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903592	1	50	0.0	-68.36	409.74	4.20	-64.16
C[N@@H+]1CCC(CC(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024903602	0	55	0.0	-77.48	429.68	3.49	-73.99
C[N@H+]1CCC(CC(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024903602	1	55	0.0	-71.79	427.46	3.50	-68.29
CCC(C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024903605	0	54	0.0	-69.11	413.64	3.05	-66.06
C[NH+](C)CCCCC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903619	0	57	0.0	-77.75	448.54	4.02	-73.73
CC(C)C(C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024903622	0	57	0.0	-69.60	430.96	3.59	-66.01
CCC[N@H+](C)CCC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903623	0	57	0.0	-75.51	444.77	3.84	-71.67
CCC[N@@H+](C)CCC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903623	1	57	0.0	-75.55	444.77	3.85	-71.70
CCC[N@H+](C)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903624	0	54	0.0	-71.72	422.41	3.31	-68.41
CCC[N@@H+](C)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903624	1	54	0.0	-69.88	420.25	3.30	-66.58
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903639	0	52	0.0	-71.40	403.14	2.45	-68.95
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903639	1	52	0.0	-68.81	409.41	2.96	-65.85
CC[NH+](CC)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903651	0	54	0.0	-70.04	414.77	2.98	-67.06
C[NH+](C)CC1(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024903705	0	55	0.0	-76.13	434.54	3.61	-72.52
C[NH+]1CCC(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024903727	0	55	0.0	-80.12	427.75	3.55	-76.57
CC(C)[C@H](C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024903742	0	57	0.0	-69.11	426.05	3.37	-65.74
CC[N@H+](C)CCC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903769	0	54	0.0	-74.85	423.27	3.10	-71.75
CC[N@@H+](C)CCC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903769	1	54	0.0	-74.86	423.27	3.11	-71.75
CC1CCC[N@@H+]1CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903779	0	55	0.0	-69.18	428.08	3.57	-65.61
CC1CCC[N@H+]1CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903779	1	55	0.0	-66.88	426.35	3.69	-63.19
CC1CC[N@H+](CC(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024903780	0	55	0.0	-69.22	426.45	3.64	-65.58
CC1CC[N@@H+](CC(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024903780	1	55	0.0	-69.03	426.36	3.58	-65.45
CC[C@@H](C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024903782	0	54	0.0	-66.26	411.40	2.89	-63.37
C[NH+](C)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903818	0	48	0.0	-72.07	383.18	1.89	-70.18
CN1C=C[N+](CC(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024903819	0	50	0.0	-69.64	414.42	5.40	-64.24
C[N@@H+]1CCCC(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024903822	0	55	0.0	-65.44	419.31	3.71	-61.73
C[N@H+]1CCCC(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024903822	1	55	0.0	-74.05	427.74	3.50	-70.55
CC(C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024903829	1	52	0.0	-69.76	411.35	2.96	-66.80
C[NH+](C)CC(C)(C)C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903832	0	57	0.0	-74.05	430.38	3.56	-70.49
C[N@H+](CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024903839	0	52	0.0	-68.65	412.44	3.30	-65.35
C[N@@H+](CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024903839	1	52	0.0	-69.30	412.56	3.30	-66.00
C[NH+]1CC(CC(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024903850	0	52	0.0	-73.89	414.62	2.71	-71.18
C[C@@H](C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024903862	0	51	0.0	-69.02	399.10	2.29	-66.73
[N-]=[N+]=NCC(=O)NC1CCCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024903869	0	42	0.0	-22.26	357.98	-2.51	-24.77
C[C@@H](C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024903900	0	51	0.0	-69.02	399.10	2.29	-66.73
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903903	0	55	0.0	-69.05	415.86	3.33	-65.72
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903903	1	55	0.0	-67.63	422.97	3.50	-64.13
O=C(C[NH+]1CCC1)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903930	1	49	0.0	-70.02	391.29	2.36	-67.66
C[N@@H+]1CCC(=CC(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024903939	0	53	0.0	-77.14	422.02	3.44	-73.70
C[N@H+]1CCC(=CC(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024903939	1	53	0.0	-73.62	419.87	3.45	-70.17
C[C@H](C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024903957	0	51	0.0	-70.48	401.15	2.30	-68.18
CC1C[NH+](CC(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024903973	1	52	0.0	-72.19	414.09	2.98	-69.21
C[N@H+](CCO)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903986	1	52	0.0	-72.64	411.26	-0.67	-73.31
C[N@@H+](CCO)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903986	1	52	0.0	-70.44	408.89	-0.68	-71.12
CC(CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024903998	0	57	0.0	-79.98	440.29	3.88	-76.10
CC[N@H+](C)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904000	0	51	0.0	-71.41	400.91	2.57	-68.84
CC[N@@H+](C)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904000	1	51	0.0	-69.47	398.76	2.56	-66.91
CC[N@H+](CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024904010	0	55	0.0	-68.32	431.77	3.92	-64.40
CC[N@@H+](CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024904010	1	55	0.0	-69.16	429.23	3.91	-65.25
CC[NH+](CC)CCC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904016	0	57	0.0	-74.06	441.13	3.81	-70.25
C[NH+](C)CC=CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904031	0	52	0.0	-73.36	418.25	3.15	-70.21
CC(CCC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024904048	0	57	0.0	-78.94	436.53	3.62	-75.32
CC[N@@H+]1CCC1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904052	1	52	0.0	-68.75	404.92	2.75	-66.00
CC[N@H+]1CCC1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904052	1	52	0.0	-70.08	407.76	2.55	-67.53
C=CCC(C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024904073	0	55	0.0	-69.46	427.62	3.57	-65.89
O=C(C[NH+]1CC2CC2C1)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904081	0	53	0.0	-72.36	418.51	3.77	-68.59
CCCC(C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024904086	0	57	0.0	-71.18	437.27	3.81	-67.37
C[NH+](C)C(C)(C)C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904088	0	54	0.0	-79.25	410.49	3.07	-76.18
C[N@@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904098	0	55	0.0	-69.05	415.83	3.31	-65.74
C[N@H+]1CCCCC1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904098	1	55	0.0	-69.11	415.82	3.32	-65.79
C[NH+](C)C1(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024904134	0	52	0.0	-72.65	407.80	2.53	-70.12
O=C(CC[NH+]1CCCC1)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904135	0	55	0.0	-74.27	431.48	3.62	-70.65
C[N@@H+]1CC2CC1(C(=O)NC1CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024904145	0	53	0.0	-69.60	413.09	3.10	-66.50
C[N@H+]1CC2CC1(C(=O)NC1CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024904145	1	53	0.0	-79.46	413.31	3.26	-76.20
CC(C[NH+](C)C)C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904180	0	54	0.0	-74.70	421.60	3.17	-71.53
CC(C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024904200	1	55	0.0	-66.75	428.51	3.60	-63.15
CC1CC[N@@H+]1CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904201	1	52	0.0	-67.71	406.82	2.71	-65.00
CC1CC[N@H+]1CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904201	1	52	0.0	-71.08	414.51	2.99	-68.09
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024904232	0	55	0.0	-72.08	430.75	3.63	-68.45
CC(CC[NH+](C)C)C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904233	0	57	0.0	-74.96	443.20	3.77	-71.19
C[N@@H+]1CCCC1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904402	0	52	0.0	-74.36	401.57	2.32	-72.04
C[N@H+]1CCCC1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904402	1	52	0.0	-73.71	401.02	2.34	-71.37
C[N@@H+]1CCOC(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024904428	1	53	0.0	-83.29	415.30	2.11	-81.18
C[N@H+]1CCOC(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024904428	1	53	0.0	-81.68	414.09	2.05	-79.63
C[N@@H+]1CCC(CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024904578	0	55	0.0	-75.36	428.21	3.47	-71.89
C[N@H+]1CCC(CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024904578	1	55	0.0	-76.40	429.88	3.47	-72.93
CCC(C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024904581	0	54	0.0	-69.01	409.59	2.67	-66.34
C[NH+](C)CCCCC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904591	0	57	0.0	-76.38	446.34	3.98	-72.40
CC(C)C(C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024904594	0	57	0.0	-71.98	421.65	3.12	-68.86
CCC[N@H+](C)CCC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904595	0	57	0.0	-76.30	444.74	3.81	-72.49
CCC[N@@H+](C)CCC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904595	1	57	0.0	-76.29	444.74	3.82	-72.47
CCC[N@H+](C)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904596	0	54	0.0	-72.55	420.27	3.22	-69.33
CCC[N@@H+](C)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904596	1	54	0.0	-72.55	420.22	3.21	-69.34
C[NH+](C)CC1(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024904635	0	55	0.0	-73.86	422.37	3.15	-70.71
CC[N@H+](C)CCC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904641	0	54	0.0	-75.55	423.27	3.08	-72.47
CC[N@@H+](C)CCC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904641	1	54	0.0	-75.50	423.27	3.08	-72.42
C[NH+]1CCC(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024904663	0	55	0.0	-76.68	423.90	3.31	-73.37
CC(C)[C@H](C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024904678	0	57	0.0	-71.23	424.26	3.50	-67.73
C[NH+](C)C1(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024904700	0	55	0.0	-74.95	408.12	3.13	-71.82
CC1CCC[N@@H+]1CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904724	0	55	0.0	-68.73	429.21	3.45	-65.28
CC1CCC[N@H+]1CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904724	1	55	0.0	-69.35	428.29	3.57	-65.78
CC(C)[C@@H](C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024904735	0	57	0.0	-73.99	426.27	2.98	-71.01
CC1CC[N@H+](CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024904743	0	55	0.0	-70.88	428.50	3.47	-67.41
CC1CC[N@@H+](CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024904743	1	55	0.0	-71.27	429.20	3.51	-67.76
CC[C@@H](C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024904745	0	54	0.0	-68.57	408.79	2.61	-65.96
CC1=[NH+]C=CN1CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904782	1	50	0.0	-68.17	412.56	3.39	-64.78
CC1=C[NH+]=CN1CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904800	1	50	0.0	-70.77	412.94	4.14	-66.63
C[C@@H]1[C@H](C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024904801	0	55	0.0	-74.86	416.14	2.98	-71.88
C[C@@H]1[C@H](C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024904801	1	55	0.0	-75.61	421.16	2.95	-72.66
C[N@H+](CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024904831	0	55	0.0	-70.32	427.12	3.80	-66.52
C[N@@H+](CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024904831	1	55	0.0	-69.70	429.41	3.80	-65.90
C[NH+]1CCC(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024904837	0	55	0.0	-76.68	423.90	3.31	-73.37
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904850	0	52	0.0	-71.40	400.35	2.34	-69.06
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904850	1	52	0.0	-70.81	407.42	2.76	-68.05
C[N@@H+]1CCCCC1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904893	0	55	0.0	-71.06	411.27	2.90	-68.16
C[N@H+]1CCCCC1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904893	1	55	0.0	-68.39	422.08	3.34	-65.05
CC1C(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024904922	0	55	0.0	-72.24	427.63	3.29	-68.95
CC1C(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024904922	1	55	0.0	-73.90	412.29	2.69	-71.21
C[C@@H](C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024904963	0	51	0.0	-71.74	398.18	2.20	-69.54
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300024904981	0	55	0.0	-74.76	429.31	3.57	-71.19
C[N@H+](CCO)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904986	1	52	0.0	-72.91	409.11	-0.76	-73.67
C[N@@H+](CCO)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024904986	1	52	0.0	-73.31	408.90	-0.76	-74.07
CC1C[NH+](CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024905029	1	52	0.0	-72.91	412.29	2.89	-70.02
CC[N@H+](C)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905061	0	51	0.0	-72.38	398.75	2.48	-69.90
CC[N@@H+](C)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905061	1	51	0.0	-72.28	398.76	2.47	-69.81
CC(CCC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024905114	0	57	0.0	-73.43	438.26	3.59	-69.84
CC[N@H+](CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024905119	0	55	0.0	-68.31	431.77	3.84	-64.47
CC[N@@H+](CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024905119	1	55	0.0	-70.88	424.53	3.70	-67.18
C[N@@H+]1CC2CC1(C(=O)N1CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024905132	0	53	0.0	-71.89	409.74	2.80	-69.09
C[N@H+]1CC2CC1(C(=O)N1CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024905132	1	53	0.0	-78.23	408.80	2.81	-75.42
CC(C[NH+](C)C)C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905141	0	54	0.0	-76.20	415.41	2.76	-73.44
C[NH+](C)C1(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024905147	0	52	0.0	-73.03	401.23	2.20	-70.83
C[C@H](C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024905157	0	51	0.0	-72.04	398.44	2.17	-69.87
CC[N@@H+]1CCC1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905160	1	52	0.0	-73.15	407.58	2.56	-70.59
CC[N@H+]1CCC1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905160	1	52	0.0	-71.00	405.55	2.50	-68.50
NC1=CC=[NH+]C=C1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905171	0	48	0.0	-72.31	394.08	-0.16	-72.47
CCCC(C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024905175	0	57	0.0	-69.16	431.46	3.48	-65.68
C[NH+](C)C(C)(C)C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905178	0	54	0.0	-78.14	400.53	2.23	-75.91
CC(CC[NH+](C)C)C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905187	0	57	0.0	-76.15	437.43	3.40	-72.75
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300024905246	0	53	0.0	-72.55	416.44	3.69	-68.86
C[N@@H+]1CCCCC1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905254	0	55	0.0	-71.06	411.27	2.90	-68.16
C[N@H+]1CCCCC1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905254	1	55	0.0	-68.39	422.08	3.34	-65.05
C[N@@H+]1CCC(=CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024905279	0	53	0.0	-59.51	418.13	3.35	-56.16
C[N@H+]1CCC(=CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024905279	1	53	0.0	-76.87	421.09	3.43	-73.44
[N-]=[N+]=NCC(=O)N1CCCCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024905286	0	42	0.0	-26.82	360.15	-2.62	-29.44
CCC1C[NH+](CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024905302	1	55	0.0	-73.37	435.86	3.66	-69.71
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905307	0	52	0.0	-70.69	408.43	2.80	-67.89
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905307	1	52	0.0	-72.67	401.62	2.37	-70.30
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024905347	0	55	0.0	-77.07	432.00	3.54	-73.53
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C[NH+]2CCCCC2)C1	REAL300024905388	0	55	0.0	-72.09	422.76	3.67	-68.42
C[N@@H+]1CCCC(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024905389	0	55	0.0	-74.32	425.62	3.35	-70.97
C[N@H+]1CCCC(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024905389	1	55	0.0	-67.15	417.20	3.57	-63.58
CN1C=C[N+](CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024905390	0	50	0.0	-69.49	412.19	5.31	-64.18
C[N@H+](CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024905400	0	52	0.0	-68.59	412.45	3.20	-65.39
C[N@@H+](CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024905400	1	52	0.0	-69.33	412.55	3.22	-66.11
CC(CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024905408	0	57	0.0	-75.90	438.17	3.85	-72.05
C[NH+]1CC(CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024905457	0	52	0.0	-75.48	412.09	2.58	-72.90
C[NH+](C)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905464	0	48	0.0	-72.19	383.19	1.79	-70.40
C[C@@H](C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024905472	0	51	0.0	-71.74	398.18	2.20	-69.54
CC(C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024905486	0	55	0.0	-70.91	426.84	3.20	-67.71
CC1CC[N@@H+]1CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905487	1	52	0.0	-71.25	414.46	2.88	-68.37
CC1CC[N@H+]1CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905487	1	52	0.0	-71.30	412.35	2.88	-68.42
C[NH+](C)CC=CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905489	0	52	0.0	-57.41	415.34	3.03	-54.38
CC1(C)C[NH+](CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024905493	1	55	0.0	-72.85	431.62	3.43	-69.42
CC[NH+](CC)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905506	0	54	0.0	-70.23	414.76	2.86	-67.37
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C[NH+]2CCC2)C1	REAL300024905511	1	49	0.0	-72.89	391.33	2.28	-70.61
CC[NH+](CC)CCC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905529	0	57	0.0	-75.00	436.79	3.48	-71.52
CC(C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024905557	1	52	0.0	-71.55	400.33	2.30	-69.25
C[NH+](C)CC(C)(C)C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905561	0	57	0.0	-70.41	419.31	2.96	-67.45
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905581	0	55	0.0	-70.43	411.46	2.87	-67.56
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905581	1	55	0.0	-68.34	422.14	3.34	-65.00
C=CCC(C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024905600	0	55	0.0	-68.20	423.49	3.25	-64.95
NC(=[NH2+])SCC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905623	0	46	0.0	-76.50	391.10	-1.17	-77.67
CCC1C[NH+](CC(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024905678	1	55	0.0	-70.45	433.64	3.76	-66.69
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905682	0	52	0.0	-67.17	407.01	2.93	-64.24
C[N@H+]1CCC[C@H]1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905682	1	52	0.0	-67.18	400.99	2.44	-64.74
O=C(C[NH+]1CCCCC1)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905689	0	55	0.0	-71.87	424.89	3.76	-68.11
CC1C(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024905693	0	55	0.0	-74.69	425.26	3.35	-71.34
CC1C(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024905693	1	55	0.0	-72.10	418.72	3.08	-69.02
C[N@@H+]1CCCC1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905839	0	55	0.0	-72.50	427.74	2.70	-69.80
C[N@H+]1CCCC1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905839	1	55	0.0	-73.09	427.82	2.71	-70.38
CCC(C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024905939	0	57	0.0	-70.40	438.30	3.14	-67.26
CCC[N@H+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905944	0	57	0.0	-73.23	447.00	3.57	-69.66
CCC[N@@H+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905944	1	57	0.0	-73.29	447.00	3.56	-69.73
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905952	0	55	0.0	-73.12	427.77	2.71	-70.41
C[N@H+]1CCC[C@@H]1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905952	1	55	0.0	-70.25	434.07	3.22	-67.03
CC[NH+](CC)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024905957	0	57	0.0	-71.60	443.89	3.52	-68.08
CC[N@H+](C)CCC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906013	0	57	0.0	-75.89	447.87	3.37	-72.52
CC[N@@H+](C)CCC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906013	1	57	0.0	-75.89	447.86	3.38	-72.51
CC[C@@H](C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024906016	0	57	0.0	-70.31	438.18	3.16	-67.15
C[NH+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906034	0	51	0.0	-73.55	407.79	2.15	-71.40
CC(C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024906038	1	55	0.0	-71.97	438.09	3.11	-68.86
C[N@H+](CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024906044	0	55	0.0	-70.18	437.04	3.56	-66.62
C[N@@H+](CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024906044	1	55	0.0	-70.18	437.03	3.56	-66.62
C[NH+]1CC(CC(=O)NCCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024906050	0	55	0.0	-75.37	439.23	2.98	-72.39
C[C@@H](C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024906057	0	54	0.0	-72.00	425.89	2.55	-69.45
[N-]=[N+]=NCC(=O)NCCC1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024906060	0	45	0.0	-25.73	384.75	-2.24	-27.97
C[C@@H](C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024906078	0	54	0.0	-72.00	425.89	2.55	-69.45
O=C(C[NH+]1CCC1)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906096	1	52	0.0	-73.73	417.87	2.58	-71.15
C[C@H](C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024906107	0	54	0.0	-71.76	425.94	2.56	-69.20
CC1C[NH+](CC(=O)NCCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024906113	1	55	0.0	-73.66	439.04	3.25	-70.41
CC[N@H+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906130	0	54	0.0	-72.90	425.50	2.83	-70.07
CC[N@@H+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906130	1	54	0.0	-72.92	425.50	2.82	-70.10
C[NH+](C)CC=CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906146	0	55	0.0	-79.60	443.75	3.37	-76.23
CC[N@@H+]1CCC1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906152	1	55	0.0	-71.90	431.63	3.01	-68.89
CC[N@H+]1CCC1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906152	1	55	0.0	-72.89	439.39	3.19	-69.70
C[NH+](C)C(C)(C)C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906165	0	57	0.0	-78.61	435.25	3.32	-75.29
C[NH+](C)C1(C(=O)NCCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024906187	0	55	0.0	-79.01	431.50	3.16	-75.85
CC(C[NH+](C)C)C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906209	0	57	0.0	-67.74	445.98	3.52	-64.22
CC1CC[N@@H+]1CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906218	1	55	0.0	-71.21	433.56	2.97	-68.24
CC1CC[N@H+]1CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906218	1	55	0.0	-71.12	434.16	3.04	-68.08
C[N@@H+]1CCCC1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906327	0	55	0.0	-69.42	429.23	2.79	-66.63
C[N@H+]1CCCC1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906327	1	55	0.0	-69.41	429.24	2.80	-66.61
CCC(C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024906398	0	57	0.0	-70.15	435.50	2.95	-67.20
CCC[N@H+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906402	0	57	0.0	-73.18	446.70	3.46	-69.72
CCC[N@@H+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906402	1	57	0.0	-73.25	446.66	3.45	-69.80
CC[N@H+](C)CCC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906419	0	57	0.0	-75.27	447.52	3.31	-71.96
CC[N@@H+](C)CCC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906419	1	57	0.0	-75.22	447.52	3.31	-71.91
CC[C@@H](C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024906459	0	57	0.0	-71.04	437.06	3.01	-68.03
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906505	0	55	0.0	-72.28	425.98	2.58	-69.70
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906505	1	55	0.0	-70.03	430.14	2.89	-67.14
C[C@@H](C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024906559	0	54	0.0	-71.05	423.84	2.43	-68.62
CC1C[NH+](CC(=O)N2CCCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024906583	1	55	0.0	-73.31	438.72	3.14	-70.17
CC[N@H+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906601	0	54	0.0	-72.75	425.20	2.71	-70.04
CC[N@@H+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906601	1	54	0.0	-72.77	425.16	2.71	-70.06
CC(C[NH+](C)C)C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906631	0	57	0.0	-68.59	443.72	3.15	-65.44
C[NH+](C)C1(C(=O)N2CCCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024906634	0	55	0.0	-75.29	429.52	2.52	-72.77
C[C@H](C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024906638	0	54	0.0	-70.76	422.76	2.35	-68.41
CC[N@@H+]1CCC1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906641	1	55	0.0	-71.52	429.00	2.61	-68.91
CC[N@H+]1CCC1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906641	1	55	0.0	-70.23	430.43	2.68	-67.55
C[NH+](C)C(C)(C)C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906649	0	57	0.0	-74.38	426.96	2.48	-71.90
[N-]=[N+]=NCC(=O)N1CCCC(CCNC(=O)CSC2=NC(=O)NN2)C1	REAL300024906695	0	45	0.0	-25.79	384.77	-2.34	-28.13
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906708	0	55	0.0	-69.95	429.48	2.89	-67.06
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906708	1	55	0.0	-71.43	426.07	2.57	-68.86
C[N@H+](CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024906745	0	55	0.0	-69.96	436.69	3.45	-66.51
C[N@@H+](CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024906745	1	55	0.0	-70.71	436.83	3.45	-67.26
C[NH+]1CC(CC(=O)N2CCCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024906773	0	55	0.0	-75.12	438.72	2.91	-72.21
C[NH+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906776	0	51	0.0	-73.50	407.43	2.04	-71.46
C[C@@H](C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024906779	0	54	0.0	-71.05	423.84	2.43	-68.62
CC1CC[N@@H+]1CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906786	1	55	0.0	-71.81	438.74	3.12	-68.69
CC1CC[N@H+]1CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906786	1	55	0.0	-70.88	433.79	2.91	-67.97
C[NH+](C)CC=CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906787	0	55	0.0	-79.52	443.89	3.32	-76.20
CC[NH+](CC)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906793	0	57	0.0	-71.13	443.41	3.40	-67.73
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024906794	1	52	0.0	-73.33	417.78	2.50	-70.83
CC(C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024906816	1	55	0.0	-70.72	426.27	2.58	-68.14
C[N@@H+]1CCC[C@H]1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906884	0	55	0.0	-69.57	433.42	3.11	-66.46
C[N@H+]1CCC[C@H]1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024906884	1	55	0.0	-73.01	427.78	2.71	-70.30
CCC(CNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907066	0	48	0.0	-66.11	384.41	-0.02	-66.13
CCC(CNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907066	1	48	0.0	-65.95	384.44	-0.03	-65.98
CCC(CNC(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907090	1	49	0.0	-69.57	394.67	-0.28	-69.85
CCC(CNC(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907090	1	49	0.0	-69.57	394.64	-0.29	-69.86
CCC(CNC(=O)C(C)[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907245	0	57	0.0	-64.00	435.47	2.21	-61.79
CCC(CNC(=O)C1CCCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907247	0	57	0.0	-61.78	431.35	1.98	-59.80
CCC(CNC(=O)C1CCCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907247	1	57	0.0	-61.30	437.67	1.93	-59.37
CCC(CNC(=O)C1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907265	0	54	0.0	-62.39	423.32	1.53	-60.86
CCC(CNC(=O)C1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907265	1	54	0.0	-61.89	422.37	1.48	-60.41
CCC(CNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907280	0	55	0.0	-66.44	431.79	2.11	-64.33
CCC(CNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907280	1	55	0.0	-65.84	431.88	2.17	-63.67
CCC(CNC(=O)CN1C=C[NH+]=C1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907297	1	52	0.0	-63.04	430.04	2.16	-60.88
CCC(CNC(=O)CN1C=C[NH+]=C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907320	1	46	0.0	-64.58	393.81	1.03	-63.55
CCC(CNC(=O)CCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907334	0	57	0.0	-67.83	449.42	2.63	-65.20
CCC(CNC(=O)C(C)(C)[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907347	0	57	0.0	-63.08	433.75	2.39	-60.69
CCC(CNC(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907355	0	52	0.0	-69.87	405.75	1.22	-68.65
CCC(CNC(=O)C1CCCC2CCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907388	0	55	0.0	-60.90	428.81	2.26	-58.64
CCC(CNC(=O)C1CCCC2CCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907388	1	55	0.0	-63.04	421.08	2.00	-61.04
CCC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907398	0	51	0.0	-67.49	401.99	0.64	-66.85
CCC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907398	1	51	0.0	-67.51	407.21	0.67	-66.84
CCC(CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907402	0	54	0.0	-67.42	421.81	1.11	-66.31
CCC(CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907402	1	54	0.0	-66.63	430.29	1.68	-64.95
CCC(CNC(=O)C1C[N@H+](CC)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907411	1	52	0.0	-68.06	412.41	0.35	-67.71
CCC(CNC(=O)C1C[N@@H+](CC)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907411	1	52	0.0	-71.93	419.54	0.52	-71.41
CCC(CNC(=O)C(F)C[NH+](CC)CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907448	0	53	0.0	-67.33	426.30	1.33	-66.00
CCC(CNC(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907504	0	54	0.0	-62.99	421.41	1.31	-61.68
CCC(CNC(=O)CCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907508	0	54	0.0	-67.70	434.20	1.97	-65.73
C#CC[NH+]1CCC(C(=O)NCC(CC)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024907512	0	53	0.0	-70.70	434.15	2.29	-68.41
CCC(CNC(=O)CC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907513	0	54	0.0	-67.75	427.93	1.83	-65.92
CCC(CNC(=O)C1CCCC[N@@H+]1CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907517	0	54	0.0	-63.50	414.73	1.50	-62.00
CCC(CNC(=O)C1CCCC[N@H+]1CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907517	1	54	0.0	-62.75	424.15	1.67	-61.08
CCC(CNC(=O)C1CC[N@H+](CC(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907529	0	57	0.0	-67.14	449.08	2.34	-64.80
CCC(CNC(=O)C1CC[N@@H+](CC(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907529	1	57	0.0	-66.72	449.47	2.40	-64.32
CCC(CNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907532	0	51	0.0	-66.52	395.22	0.96	-65.56
CCC(CNC(=O)CC1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907534	0	57	0.0	-61.48	434.83	1.53	-59.95
CCC(CNC(=O)CC1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907534	1	57	0.0	-61.43	435.40	1.56	-59.87
CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907544	0	53	0.0	-64.98	410.63	1.93	-63.05
CCC(CNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907579	0	51	0.0	-65.50	410.50	1.40	-64.10
CCC(CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907579	1	51	0.0	-65.26	410.59	1.40	-63.86
CCC(CNC(=O)C(C)[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907620	0	57	0.0	-61.11	433.73	1.89	-59.22
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907670	1	50	0.0	-64.57	410.98	1.19	-63.38
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907670	1	50	0.0	-64.44	416.90	1.71	-62.73
CCC(CNC(=O)CCC1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907675	0	54	0.0	-67.09	426.33	1.46	-65.63
CCC(CNC(=O)CCC1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907675	1	54	0.0	-68.23	431.76	1.93	-66.30
CCC(CNC(=O)C12CCC[NH+](CCC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907682	0	55	0.0	-67.90	421.77	1.62	-66.28
CCC(CNC(=O)C1CCC2CCCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907685	0	55	0.0	-61.72	432.31	2.37	-59.35
CCC(CNC(=O)C1CCC2CCCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907685	1	55	0.0	-61.68	431.65	2.32	-59.36
CCC(CNC(=O)CCCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907699	0	57	0.0	-68.02	455.71	2.75	-65.27
CCC(CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907708	0	51	0.0	-69.15	408.96	1.08	-68.07
CCC(CNC(=O)C1=NOC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907734	1	50	0.0	-75.47	422.47	0.39	-75.08
CCC(CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907756	0	51	0.0	-65.04	397.03	0.84	-64.20
CCC(CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907756	1	51	0.0	-64.21	406.34	1.02	-63.19
CCC(CNC(=O)C1CCC[N@@H+]1CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907773	0	57	0.0	-64.22	443.32	2.08	-62.14
CCC(CNC(=O)C1CCC[N@H+]1CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907773	1	57	0.0	-63.44	449.29	2.61	-60.83
CCC(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907854	0	46	0.0	-67.89	394.54	2.91	-64.98
CCC(CNC(=O)CCCN1C=C[NH+]=C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907860	1	52	0.0	-65.19	435.34	2.32	-62.87
CCC(CNC(=O)CC[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907864	1	52	0.0	-70.69	419.65	-0.56	-71.25
CCC(CNC(=O)CN1C=[NH+]C=C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907886	1	46	0.0	-67.00	393.09	1.73	-65.27
CCC(CNC(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907917	0	52	0.0	-63.89	409.03	1.42	-62.47
CCC(CNC(=O)C1CCCC([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907936	0	57	0.0	-64.88	436.69	2.08	-62.80
CCC(CNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907938	0	51	0.0	-69.21	410.23	1.02	-68.19
CCC(CNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907938	1	51	0.0	-69.17	410.92	1.02	-68.15
CCC(CNC(=O)C1=C[NH+]=CC=C1N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907948	0	50	0.0	-69.38	415.10	0.23	-69.15
CCC(CNC(=O)C(CC)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907952	0	50	0.0	-65.00	394.79	0.43	-64.57
CCC(CNC(=O)CC1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907960	0	57	0.0	-68.38	428.21	1.86	-66.52
CCC(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024907990	1	46	0.0	-69.76	394.82	2.93	-66.83
CCC(CNC(=O)CCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908033	0	53	0.0	-69.35	429.74	1.55	-67.80
CCC(CNC(=O)C(C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908049	0	53	0.0	-65.21	412.17	1.13	-64.08
CCC[N@H+](C)CCC(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908051	0	53	0.0	-68.67	425.97	1.39	-67.28
CCC[N@@H+](C)CCC(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908051	1	53	0.0	-68.73	425.97	1.39	-67.34
CCC[N@H+](C)CC(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908056	0	50	0.0	-67.25	403.60	0.85	-66.40
CCC[N@@H+](C)CC(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908056	1	50	0.0	-67.23	403.60	0.84	-66.39
CCC(CNC(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908076	0	52	0.0	-69.03	406.27	0.64	-68.39
CCC(CNC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908076	1	52	0.0	-67.59	405.91	0.65	-66.94
CCC(CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908106	0	48	0.0	-64.25	389.45	0.49	-63.76
CCC(CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908106	1	48	0.0	-66.00	384.33	-0.03	-66.03
CCC(CNC(=O)C[NH+](CC)CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908159	0	50	0.0	-65.39	400.48	0.79	-64.60
CCC[N@@H+]1CCCC(C(=O)NCC(CC)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024908190	0	57	0.0	-66.51	448.14	2.44	-64.07
CCC[N@H+]1CCCC(C(=O)NCC(CC)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024908190	1	57	0.0	-66.47	448.12	2.44	-64.03
CCC(CNC(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908229	0	54	0.0	-67.06	427.34	1.91	-65.15
CCC(CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908261	0	51	0.0	-67.68	415.04	1.12	-66.56
CCC(CNC(=O)C1CC[NH+](C(C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908320	0	57	0.0	-66.76	439.62	2.04	-64.72
CCC(CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908335	0	51	0.0	-69.15	408.96	1.08	-68.07
CCC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908353	0	53	0.0	-65.15	413.13	1.64	-63.51
CCC(CNC(=O)C(CC)[NH+](CC)CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908383	0	56	0.0	-62.01	426.97	1.45	-60.56
CCC(CNC(=O)CC[N@H+](C)CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908430	0	50	0.0	-68.08	404.48	0.63	-67.45
CCC(CNC(=O)CC[N@@H+](C)CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908430	1	50	0.0	-68.09	404.47	0.65	-67.44
CCC(CNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908476	0	51	0.0	-64.39	409.51	1.20	-63.19
CCC(CNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908476	1	51	0.0	-64.02	403.09	0.80	-63.22
CCC(CNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908478	0	51	0.0	-66.48	409.94	1.18	-65.30
CCC(CNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908478	1	51	0.0	-66.35	409.94	1.16	-65.19
CCC(CNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908482	0	54	0.0	-66.34	429.97	1.67	-64.67
CCC(CNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908482	1	54	0.0	-66.42	429.61	1.67	-64.75
CCC(CNC(=O)C[N@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908483	0	56	0.0	-66.64	434.16	1.98	-64.66
CCC(CNC(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908483	1	56	0.0	-66.95	432.21	1.84	-65.11
CCC(CNC(=O)[C@H](CC)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908491	0	50	0.0	-65.43	397.02	0.58	-64.85
CCC(CNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908632	0	44	0.0	-67.67	364.38	-0.58	-68.25
CCC(CNC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908636	0	54	0.0	-66.43	415.45	1.48	-64.95
CCC(CNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908640	0	46	0.0	-65.49	395.61	2.94	-62.55
CCC(CNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908646	0	51	0.0	-63.03	402.66	1.24	-61.79
CCC(CNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908646	1	51	0.0	-63.01	402.71	1.24	-61.77
CCC(CNC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908651	0	52	0.0	-64.95	417.31	1.52	-63.43
CCC(CNC(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908651	1	52	0.0	-64.15	414.85	1.28	-62.87
CCC(CNC(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908674	1	48	0.0	-65.12	394.38	0.36	-64.76
CCC(CC(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024908678	0	56	0.0	-65.20	439.61	2.03	-63.17
CCC(CNC(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908685	0	53	0.0	-65.64	413.51	1.28	-64.36
CCC(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908699	0	53	0.0	-62.85	429.22	1.83	-61.02
CCC(CNC(=O)C12CC(C1)C[N@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908699	1	53	0.0	-63.06	422.24	2.84	-60.22
CCC(CNC(=O)C[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908707	1	52	0.0	-70.80	417.19	-2.05	-72.85
CCC(CNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908708	0	48	0.0	-65.07	393.78	0.84	-64.23
CCC(CNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908708	1	48	0.0	-65.09	393.78	0.84	-64.25
CCC(CNC(=O)C(C)N1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908709	1	56	0.0	-68.09	437.64	-0.75	-68.84
CCC(CNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908727	0	48	0.0	-68.32	395.82	0.24	-68.08
CCC(CNC(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908731	0	55	0.0	-65.97	436.45	2.36	-63.61
CCC(CNC(=O)C1CC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908731	1	55	0.0	-65.26	429.66	1.87	-63.39
CCC(CNC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908739	0	54	0.0	-63.12	425.89	1.16	-61.96
CCC(CNC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908739	1	54	0.0	-63.20	425.73	1.13	-62.07
CCC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908750	0	47	0.0	-65.68	382.48	-0.18	-65.86
CCC(CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024908757	0	38	0.0	-22.73	341.35	-4.98	-27.71
CCC(CNC(=O)C[N@@H+]1CCCC(CC)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908781	0	57	0.0	-66.92	445.34	2.55	-64.37
CCC(CNC(=O)C[N@H+]1CCCC(CC)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908781	1	57	0.0	-66.70	437.86	2.10	-64.60
CCC(CNC(=O)C1=CC=C(C[NH+](C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908788	0	52	0.0	-70.94	431.22	0.60	-70.34
CCC(CNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908829	0	44	0.0	-63.85	391.45	-0.40	-64.25
CCC(CNC(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908839	0	51	0.0	-68.24	414.83	-2.58	-70.82
CCC(CNC(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908839	1	51	0.0	-68.04	414.81	-2.59	-70.63
CCC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908840	0	47	0.0	-65.68	382.48	-0.18	-65.86
CCC(CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908844	0	51	0.0	-64.11	406.31	1.02	-63.09
CCC(CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908844	1	51	0.0	-64.98	397.05	0.85	-64.13
CCC(CNC(=O)C1C[N@@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908852	0	54	0.0	-68.40	417.18	-1.61	-70.01
CCC(CNC(=O)C1C[N@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908852	1	54	0.0	-68.41	417.11	-1.60	-70.01
CCC(CNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908912	1	45	0.0	-67.19	374.48	-0.15	-67.34
CCC(CNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908935	0	49	0.0	-70.66	403.23	0.97	-69.69
CCC(CNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908935	1	49	0.0	-70.95	402.27	0.98	-69.97
CCC(CNC(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908965	0	51	0.0	-67.76	420.24	0.48	-67.28
C=CCC(C)(C(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024908984	0	54	0.0	-63.21	419.75	1.48	-61.73
CCC(CNC(=O)C(O)CC[S+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024908988	0	50	0.0	-68.36	429.23	-0.92	-69.28
CCC(CNC(=O)C1(C)CC(O)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909013	0	52	0.0	-67.71	412.75	-2.48	-70.19
CCC(CNC(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909022	0	56	0.0	-66.57	434.51	-0.41	-66.98
CCC(CNC(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909022	1	56	0.0	-66.57	434.51	-0.41	-66.98
CCC(CNC(=O)CN1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909039	0	48	0.0	-67.03	395.65	0.52	-66.51
CCC(CNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909039	1	48	0.0	-67.03	395.65	0.52	-66.51
CCC(CNC(=O)CN(C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909061	0	48	0.0	-67.72	392.46	-3.15	-70.87
CCC(CNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909061	1	48	0.0	-67.20	392.24	-3.14	-70.34
CCC(CNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909061	1	48	0.0	-67.20	392.24	-3.14	-70.34
CCC(CNC(=O)C1C[N@@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909080	0	54	0.0	-72.28	411.16	-0.78	-73.06
CCC(CNC(=O)C1C[N@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909080	1	54	0.0	-72.28	411.16	-0.78	-73.06
CCC(CNC(=O)C1CCC[N@H+](CC)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909085	0	54	0.0	-65.93	426.61	1.70	-64.23
CCC(CNC(=O)C1CCC[N@@H+](CC)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909085	1	54	0.0	-65.93	426.61	1.70	-64.23
CCC(CNC(=O)CC(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909087	0	53	0.0	-69.89	421.52	1.41	-68.48
CCC(CNC(=O)C[N@H+](C)CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909094	0	47	0.0	-66.89	382.11	0.09	-66.80
CCC(CNC(=O)C12CCC[N@@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909113	0	55	0.0	-62.17	419.94	1.95	-60.22
CCC(CNC(=O)C12CCC[N@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909113	1	55	0.0	-62.17	419.94	1.95	-60.22
CCC(CNC(=O)C12CCC[N@@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909118	0	53	0.0	-61.62	412.23	1.75	-59.87
CCC(CNC(=O)C12CCC[N@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909118	1	53	0.0	-61.62	412.23	1.75	-59.87
CCC(CNC(=O)C[N@H+](CC)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909137	0	51	0.0	-64.45	410.73	1.41	-63.04
CCC(CNC(=O)CC[NH+](CC)CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909149	0	53	0.0	-67.14	422.33	1.34	-65.80
CCC(CNC(=O)C=C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909159	0	52	0.0	-69.45	417.92	1.70	-67.75
CCC(CNC(=O)C[N@@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909190	0	52	0.0	-67.30	420.94	-2.16	-69.46
CCC(CNC(=O)C[N@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909190	1	52	0.0	-67.18	420.78	-2.17	-69.35
CCC(CNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909197	0	48	0.0	-70.80	400.34	0.63	-70.17
CCC(CNC(=O)C(C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909214	0	54	0.0	-67.90	440.03	1.18	-66.72
CCC(CNC(=O)CCOCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909221	0	54	0.0	-67.43	441.19	0.23	-67.20
CCC(CNC(=O)C[N@H+](C)CCOC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909222	1	51	0.0	-67.76	414.71	-0.75	-68.51
CCC(CNC(=O)C[N@@H+](C)CCOC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909222	1	51	0.0	-67.05	414.49	-0.74	-67.79
CCC(CNC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909246	0	54	0.0	-66.80	415.50	1.62	-65.18
CCC(CNC(=O)CCC(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909249	0	53	0.0	-67.47	421.66	1.16	-66.31
CCC(CNC(=O)C1CC[N@@H+]1CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909255	1	48	0.0	-65.67	396.01	0.45	-65.22
CCC(CNC(=O)C1CC[N@H+]1CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909255	1	48	0.0	-65.86	396.04	0.41	-65.45
CCC(CNC(=O)C1CCC[N@@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909263	0	57	0.0	-61.52	437.03	2.41	-59.11
CCC(CNC(=O)C1CCC[N@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909263	1	57	0.0	-64.59	443.29	2.21	-62.38
CCC(CNC(=O)C[N@@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909274	0	52	0.0	-65.54	417.56	-1.97	-67.51
CCC(CNC(=O)C[N@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909274	1	52	0.0	-65.43	419.20	-2.03	-67.46
CCC(CNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909294	0	55	0.0	-66.44	431.79	2.11	-64.33
CCC(CNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909294	1	55	0.0	-65.84	431.88	2.17	-63.67
CCC(CNC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909300	0	54	0.0	-66.21	421.64	1.50	-64.71
CCC(CNC(=O)C1=CC(C[NH+](C)C)=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909306	0	52	0.0	-70.15	430.75	0.69	-69.46
C=CCC(C(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024909325	0	51	0.0	-64.27	408.05	0.90	-63.37
CCC(CNC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909334	0	54	0.0	-65.51	424.79	1.03	-64.48
CCC(CNC(=O)C1CC(C)(C)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909334	1	54	0.0	-65.55	424.26	1.14	-64.41
CCC(CNC(=O)CCCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909337	0	56	0.0	-69.24	451.24	2.33	-66.91
CCC(CNC(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909344	0	49	0.0	-66.85	399.72	1.31	-65.54
CCC(CNC(=O)C1C[N@@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909367	0	54	0.0	-70.36	417.36	-1.52	-71.88
CCC(CNC(=O)C1C[N@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909367	1	54	0.0	-70.85	417.37	-1.53	-72.38
CCCC(C(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024909368	0	53	0.0	-66.06	416.28	1.20	-64.86
CCC(CNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909372	0	50	0.0	-66.44	391.84	0.58	-65.86
CCC(CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909405	0	51	0.0	-65.04	397.03	0.84	-64.20
CCC(CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909405	1	51	0.0	-64.21	406.34	1.02	-63.19
CCC(CNC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909436	0	52	0.0	-68.24	423.52	1.76	-66.48
CCC(CNC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909436	1	52	0.0	-67.09	423.51	1.75	-65.34
CCC(CNC(=O)CC1([NH+]2CCCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909444	0	55	0.0	-63.89	429.48	2.17	-61.72
CCC(CNC(=O)C1=CC=C(C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909481	1	51	0.0	-68.73	428.96	1.23	-67.50
CCC(CNC(=O)C=CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909495	0	52	0.0	-69.08	424.94	1.70	-67.38
CCC(CNC(=O)C1CC[NH+](C2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909513	0	55	0.0	-66.64	433.82	2.29	-64.35
CCC(CNC(=O)C1([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909530	0	48	0.0	-66.76	388.15	0.44	-66.32
CCC(CNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909532	0	51	0.0	-67.63	412.71	1.16	-66.47
CCC(CNC(=O)C1C[NH+]2CCN1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909564	0	51	0.0	-70.51	400.65	-2.12	-72.63
CCC(CNC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909572	0	49	0.0	-65.64	395.21	0.53	-65.11
CCC(CNC(=O)C12CC(C1)C[N@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909572	1	49	0.0	-65.44	394.59	0.80	-64.64
CCC(CNC(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909583	0	52	0.0	-64.92	410.82	1.52	-63.40
CCC(CNC(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909583	1	52	0.0	-64.90	410.78	1.52	-63.38
CCC(CNC(=O)C=C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909619	0	53	0.0	-66.51	420.51	1.81	-64.70
CCC(CNC(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909629	1	50	0.0	-65.13	403.86	1.39	-63.74
CCC(CNC(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909629	1	50	0.0	-65.16	403.72	1.40	-63.76
CCC(CNC(=O)CN1CC[NH+](CC)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909655	0	56	0.0	-67.19	441.14	-0.39	-67.58
CCC(CNC(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909669	0	50	0.0	-67.96	402.78	0.69	-67.27
CCC(CNC(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909730	0	54	0.0	-68.34	423.64	1.62	-66.72
CCC(CNC(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909730	1	54	0.0	-62.20	416.13	1.49	-60.71
CCC(CNC(=O)C(C)[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909744	1	51	0.0	-64.59	413.58	1.11	-63.48
CCC(CNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909746	1	48	0.0	-65.92	395.71	0.51	-65.41
CCC(CNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909746	1	48	0.0	-65.72	395.66	0.54	-65.18
CCC(CNC(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909749	0	51	0.0	-71.50	416.97	-1.54	-73.04
CCC(CNC(=O)C1C[N@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909773	1	52	0.0	-69.86	415.82	0.45	-69.41
CCC(CNC(=O)C1C[N@@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909773	1	52	0.0	-72.42	416.25	0.58	-71.84
CCC[N@@H+]1CCCCC1C(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909782	0	57	0.0	-63.80	436.22	2.24	-61.56
CCC[N@H+]1CCCCC1C(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909782	1	57	0.0	-63.79	436.23	2.24	-61.55
CCC(CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909838	0	51	0.0	-67.55	413.94	1.15	-66.40
CCC(CNC(=O)C(C)CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909845	0	53	0.0	-68.66	424.41	1.31	-67.35
C#CC[N@H+]1CCCCC1C(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909866	1	53	0.0	-63.71	431.62	2.21	-61.50
C#CC[N@@H+]1CCCCC1C(=O)NCC(CC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909866	1	53	0.0	-64.26	422.25	2.05	-62.21
CCC(CNC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909869	1	53	0.0	-68.80	423.78	-1.05	-69.85
CCC(CNC(=O)CN1CC[NH+](CC)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024909876	0	56	0.0	-67.19	441.14	-0.39	-67.58
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C	REAL300024910046	0	48	0.0	-64.75	390.86	0.43	-64.32
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300024910046	1	48	0.0	-67.63	383.44	0.05	-67.58
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CCO1	REAL300024910072	1	49	0.0	-69.01	394.62	-0.37	-69.38
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CCO1	REAL300024910072	1	49	0.0	-69.05	394.70	-0.40	-69.45
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCN1C=C[NH+]=C1C	REAL300024910229	1	52	0.0	-65.15	435.35	2.34	-62.81
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCOCC1	REAL300024910233	1	52	0.0	-71.86	419.65	-0.58	-72.44
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+]1CCC2	REAL300024910251	0	52	0.0	-65.89	409.11	1.43	-64.46
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024910259	1	46	0.0	-70.88	394.80	2.95	-67.93
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300024910305	0	57	0.0	-64.76	432.13	1.96	-62.80
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300024910307	0	51	0.0	-69.86	410.22	1.01	-68.85
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300024910307	1	51	0.0	-69.63	411.37	0.99	-68.64
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300024910317	0	50	0.0	-71.80	415.25	0.25	-71.55
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(CC)[NH+](C)C	REAL300024910321	0	50	0.0	-66.37	393.38	0.35	-66.02
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+](C)C	REAL300024910370	0	53	0.0	-69.62	429.74	1.57	-68.05
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C(C)C)[NH+](C)C	REAL300024910388	0	53	0.0	-65.88	409.34	1.43	-64.45
CCC[N@H+](C)CCC(=O)NC(CC)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024910390	0	53	0.0	-69.79	425.97	1.38	-68.41
CCC[N@@H+](C)CCC(=O)NC(CC)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024910390	1	53	0.0	-70.00	425.97	1.37	-68.63
CCC[N@H+](C)CC(=O)NC(CC)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024910395	0	50	0.0	-68.60	403.61	0.85	-67.75
CCC[N@@H+](C)CC(=O)NC(CC)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024910395	1	50	0.0	-68.79	403.61	0.85	-67.94
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300024910415	0	52	0.0	-70.02	406.39	0.67	-69.35
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300024910415	1	52	0.0	-71.58	405.28	0.77	-70.81
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(C)CC1	REAL300024910464	0	54	0.0	-68.82	427.34	1.92	-66.90
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024910523	0	55	0.0	-66.47	432.05	2.13	-64.34
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024910523	1	55	0.0	-65.13	431.67	2.15	-62.98
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CC1	REAL300024910532	0	51	0.0	-65.26	421.17	1.36	-63.90
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C(C)C)CC1	REAL300024910541	0	57	0.0	-67.33	439.63	2.04	-65.29
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)CC	REAL300024910557	0	50	0.0	-69.27	404.48	0.63	-68.64
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)CC	REAL300024910557	1	50	0.0	-69.25	404.48	0.65	-68.60
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300024910576	0	57	0.0	-66.00	431.68	2.34	-63.66
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+]2CCC1CC2	REAL300024910584	0	52	0.0	-72.87	405.71	1.23	-71.64
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024910643	0	51	0.0	-71.27	408.98	1.08	-70.19
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C(C)C)[NH+](C)C	REAL300024910661	0	53	0.0	-66.90	407.64	1.55	-65.35
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(F)C[NH+](CC)CC	REAL300024910741	0	53	0.0	-68.86	423.65	1.16	-67.70
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](CC(C)C)C1	REAL300024910767	0	57	0.0	-67.76	448.73	2.41	-65.35
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](CC(C)C)C1	REAL300024910767	1	57	0.0	-68.15	449.21	2.41	-65.74
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCC1	REAL300024910770	0	51	0.0	-68.29	396.75	0.63	-67.66
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(CC)[NH+](CC)CC	REAL300024910800	0	56	0.0	-62.52	430.52	1.73	-60.79
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300024910816	0	51	0.0	-65.31	403.07	0.79	-64.52
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1C	REAL300024910816	1	51	0.0	-65.75	409.63	1.22	-64.53
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCCCCC1	REAL300024910861	0	57	0.0	-65.37	435.47	2.21	-63.16
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CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300024913835	0	55	0.0	-63.17	399.07	1.93	-61.24
C=CCC(C(=O)NC(CC)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024913863	0	51	0.0	-65.68	406.90	0.89	-64.79
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024913869	0	55	0.0	-65.13	431.67	2.15	-62.98
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024913869	1	55	0.0	-65.13	431.67	2.15	-62.98
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300024913880	0	54	0.0	-65.11	421.63	1.51	-63.60
CCC(CNC(=O)CSC(N)=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024913905	0	42	0.0	-67.77	372.30	-3.63	-71.40
CCC(CNC(=O)C1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024913941	0	57	0.0	-69.51	443.20	2.25	-67.26
CCC(CNC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024913942	0	54	0.0	-68.27	440.10	1.97	-66.30
CCC(CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024913943	0	57	0.0	-65.75	436.65	2.11	-63.64
CCC(CNC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024913944	0	52	0.0	-62.72	410.55	1.42	-61.30
CCC(CNC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024913944	1	52	0.0	-69.14	415.60	1.48	-67.66
CCC(CNC(=O)[C@@H](C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024913965	0	54	0.0	-66.66	440.05	1.17	-65.49
CCC(CNC(=O)C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024913988	0	55	0.0	-63.63	407.32	1.97	-61.66
CCC(CNC(=O)C[NH+]1CC(CC)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914078	1	51	0.0	-67.75	417.04	1.28	-66.47
CCC(CNC(=O)C1([NH+]2CCCC2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914080	0	55	0.0	-64.04	424.67	2.08	-61.96
CCC(CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914087	0	48	0.0	-66.03	384.35	-0.03	-66.06
CCC(CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914087	1	48	0.0	-64.54	390.15	0.45	-64.09
CCC(CNC(=O)CC[N@@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914094	0	51	0.0	-72.05	418.42	1.18	-70.87
CCC(CNC(=O)CC[N@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914094	1	51	0.0	-70.69	418.98	1.24	-69.45
CCC(CNC(=O)CC[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914108	0	57	0.0	-69.21	438.40	2.05	-67.16
CCC(CNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914110	0	51	0.0	-66.49	406.49	1.32	-65.17
CCC(CNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914118	0	51	0.0	-67.14	404.56	0.57	-66.57
CCC(CNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914118	1	51	0.0	-65.78	405.58	0.63	-65.15
CCC(CNC(=O)CCC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914120	0	57	0.0	-67.12	445.41	2.33	-64.79
CCC(CNC(=O)CCC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914120	1	57	0.0	-66.77	445.73	2.36	-64.41
CCC(CNC(=O)C1CC[N@@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914141	0	53	0.0	-69.14	423.31	-0.30	-69.44
CCC(CNC(=O)C1CC[N@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914141	1	53	0.0	-65.58	419.49	-0.25	-65.83
CCC(CNC(=O)CC1COCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914157	1	52	0.0	-65.27	407.50	-0.89	-66.16
CCC(CNC(=O)CC1COCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914157	1	52	0.0	-71.73	414.99	-0.76	-72.49
CCC(CNC(=O)CCC1=[NH+]C(C)=C(C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914164	1	52	0.0	-62.52	434.61	0.71	-61.81
CCOCC(N=[N+]=[N-])C(=O)NCC(CC)NC(=O)CSC1=NC(=O)NN1	REAL300024914168	0	48	0.0	-22.31	417.55	-4.29	-26.60
CCC(CNC(=O)CSCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914232	0	51	0.0	-71.83	431.27	1.36	-70.47
CCC(CNC(=O)C1CC2COCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914238	0	53	0.0	-66.63	422.79	-0.21	-66.84
CCC(CNC(=O)C1CC2COCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024914238	1	53	0.0	-66.62	422.78	-0.21	-66.83
C[N@@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914400	0	52	0.0	-67.28	407.99	1.00	-66.28
C[N@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914400	1	52	0.0	-71.34	405.50	0.92	-70.42
CC1=[NH+]C=CN1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914560	1	50	0.0	-66.94	416.85	2.14	-64.80
C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@@H+]1C	REAL300024914576	0	55	0.0	-74.63	421.92	1.41	-73.22
C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@H+]1C	REAL300024914576	1	55	0.0	-72.03	428.22	1.94	-70.09
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CCC1	REAL300024914599	0	55	0.0	-68.55	433.52	2.50	-66.05
C[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CCC1	REAL300024914599	1	55	0.0	-68.03	433.66	2.52	-65.51
C[NH+]1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024914622	0	55	0.0	-73.94	432.52	2.17	-71.77
CC1=C[NH+]=CN1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914637	1	50	0.0	-67.57	417.18	2.87	-64.70
C[N@@H+]1CCC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024914644	0	55	0.0	-70.93	433.86	2.11	-68.82
C[N@H+]1CCC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024914644	1	55	0.0	-69.59	434.30	2.10	-67.49
CCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024914647	0	54	0.0	-69.33	420.19	1.66	-67.67
C[NH+](C)CCCCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914658	0	57	0.0	-71.59	452.80	2.63	-68.96
CCC[N@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914661	0	57	0.0	-71.13	449.02	2.49	-68.64
CCC[N@@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914661	1	57	0.0	-70.13	449.74	2.44	-67.69
CCC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914662	0	54	0.0	-68.08	427.37	1.91	-66.17
CCC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914662	1	54	0.0	-70.17	426.65	1.94	-68.23
C[N@@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914674	0	52	0.0	-71.06	405.62	0.95	-70.11
C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914674	1	52	0.0	-67.49	412.22	1.57	-65.92
CC[NH+](CC)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914682	0	54	0.0	-68.12	423.13	1.84	-66.28
C[NH+](C)CC1(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024914727	0	55	0.0	-76.12	430.03	3.07	-73.05
C[NH+]1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024914741	0	55	0.0	-73.94	432.52	2.17	-71.77
CC[N@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914766	0	54	0.0	-70.39	428.45	1.74	-68.65
CC[N@@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914766	1	54	0.0	-71.33	427.52	1.74	-69.59
CC1CCC[N@@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914774	0	55	0.0	-65.23	426.85	1.87	-63.36
CC1CCC[N@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914774	1	55	0.0	-65.96	433.51	2.30	-63.66
CC1CC[N@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024914775	0	55	0.0	-67.85	434.39	2.15	-65.70
CC1CC[N@@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024914775	1	55	0.0	-69.66	432.76	2.20	-67.46
CC[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024914777	0	54	0.0	-67.16	418.51	1.60	-65.56
C[NH+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914805	0	48	0.0	-69.50	387.43	0.50	-69.00
CN1C=C[N+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)=C1	REAL300024914806	0	50	0.0	-64.23	419.40	4.02	-60.21
C[N@@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024914809	0	55	0.0	-70.65	431.76	2.14	-68.51
C[N@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024914809	1	55	0.0	-69.83	432.27	2.15	-67.68
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+]1CCC1	REAL300024914815	1	52	0.0	-64.67	415.70	1.52	-63.15
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024914824	0	52	0.0	-64.80	417.44	1.92	-62.88
C[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024914824	1	52	0.0	-66.17	417.54	1.91	-64.26
C[NH+]1CC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024914833	0	52	0.0	-68.04	418.88	1.32	-66.72
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024914845	0	51	0.0	-67.22	405.45	0.97	-66.25
[N-]=[N+]=NCC(=O)NC1(CNC(=O)CSC2=NC(=O)NN2)CCCC1	REAL300024914852	0	42	0.0	-24.84	364.39	-3.88	-28.72
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024914878	0	51	0.0	-67.22	405.45	0.97	-66.25
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914881	0	55	0.0	-68.57	419.86	1.91	-66.66
C[N@H+]1CCCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914881	1	55	0.0	-65.06	429.96	2.08	-62.98
C[N@@H+]1CCC(=CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024914912	0	53	0.0	-70.75	426.97	2.05	-68.70
C[N@H+]1CCC(=CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024914912	1	53	0.0	-72.22	425.31	2.10	-70.12
C[C@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024914927	0	51	0.0	-66.38	406.35	0.90	-65.48
CC1C[NH+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024914942	1	52	0.0	-68.96	418.21	1.65	-67.31
C[N@H+](CCO)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914954	1	52	0.0	-69.71	416.22	-2.07	-71.78
C[N@@H+](CCO)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914954	1	52	0.0	-68.95	416.24	-2.08	-71.03
CC(CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C[NH+](C)C	REAL300024914964	0	57	0.0	-71.72	444.24	2.49	-69.23
CC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914966	0	51	0.0	-69.87	405.15	1.19	-68.68
CC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914966	1	51	0.0	-69.79	405.15	1.20	-68.59
CC[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024914975	0	55	0.0	-65.72	437.24	2.49	-63.23
CC[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024914975	1	55	0.0	-66.46	434.36	2.47	-63.99
CC[NH+](CC)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914980	0	57	0.0	-70.43	445.98	2.41	-68.02
C[NH+](C)CC=CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024914993	0	52	0.0	-71.66	423.38	1.70	-69.96
CC(CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024915006	0	57	0.0	-68.04	444.83	2.24	-65.80
CC[N@@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915010	1	52	0.0	-66.92	412.70	1.10	-65.82
CC[N@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915010	1	52	0.0	-67.43	419.81	1.53	-65.90
C=CCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024915028	0	55	0.0	-64.22	430.50	2.00	-62.22
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[NH+]2CC3CC3C2)CCCC1	REAL300024915035	0	53	0.0	-70.57	422.76	2.39	-68.18
CCCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024915039	0	57	0.0	-70.65	441.69	2.43	-68.22
C[N@@H+]1CCCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915049	0	55	0.0	-64.09	428.40	2.07	-62.02
C[N@H+]1CCCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915049	1	55	0.0	-67.89	419.86	2.12	-65.77
O=C(CC[NH+]1CCCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915081	0	55	0.0	-69.08	434.87	2.11	-66.97
CC(C[NH+](C)C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915115	0	54	0.0	-70.50	425.63	1.75	-68.75
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+]1CC(C)C1	REAL300024915134	1	55	0.0	-65.84	437.56	2.18	-63.66
CC1CC[N@@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915135	1	52	0.0	-65.76	413.97	1.33	-64.43
CC1CC[N@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915135	1	52	0.0	-65.99	414.52	1.37	-64.62
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024915162	0	55	0.0	-72.29	436.98	2.24	-70.05
CC(CC[NH+](C)C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915163	0	57	0.0	-68.02	447.99	2.37	-65.65
C[N@@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915328	0	52	0.0	-66.01	413.11	1.48	-64.53
C[N@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915328	1	52	0.0	-70.90	407.52	1.02	-69.88
C[N@@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024915354	1	53	0.0	-82.98	425.54	0.95	-82.03
C[N@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024915354	1	53	0.0	-63.94	417.66	0.82	-63.12
C[N@@H+]1CCC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024915504	0	55	0.0	-74.34	433.86	2.08	-72.26
C[N@H+]1CCC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024915504	1	55	0.0	-72.54	433.59	2.13	-70.41
CCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024915507	0	54	0.0	-66.97	418.04	1.52	-65.45
C[NH+](C)CCCCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915517	0	57	0.0	-71.97	453.50	2.64	-69.33
CC(C)C(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024915520	0	57	0.0	-64.65	438.13	2.57	-62.08
CCC[N@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915521	0	57	0.0	-69.71	449.77	2.46	-67.25
CCC[N@@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915521	1	57	0.0	-70.15	449.73	2.44	-67.71
CCC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915522	0	54	0.0	-67.09	427.37	1.90	-65.19
CCC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915522	1	54	0.0	-66.78	427.36	1.90	-64.88
C[NH+](C)CC1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024915561	0	55	0.0	-67.08	432.11	2.61	-64.47
CC[N@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915567	0	54	0.0	-69.06	428.27	1.71	-67.35
CC[N@@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915567	1	54	0.0	-69.46	428.23	1.71	-67.75
C[NH+]1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024915589	0	55	0.0	-75.26	432.70	2.17	-73.09
CC(C)[C@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024915604	0	57	0.0	-69.63	436.07	2.66	-66.97
C[NH+](C)C1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CCC1	REAL300024915626	0	55	0.0	-72.39	421.48	2.49	-69.90
CC1CCC[N@@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915650	0	55	0.0	-63.39	426.88	1.89	-61.50
CC1CCC[N@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915650	1	55	0.0	-65.16	426.11	1.89	-63.27
CC(C)[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024915661	0	57	0.0	-69.75	435.80	2.59	-67.16
CC1CC[N@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024915669	0	55	0.0	-67.85	433.67	2.18	-65.67
CC1CC[N@@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024915669	1	55	0.0	-67.94	432.65	2.27	-65.67
CC[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024915671	0	54	0.0	-64.78	418.06	1.50	-63.28
CC1=[NH+]C=CN1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915708	1	50	0.0	-65.38	417.56	2.11	-63.27
CC1=C[NH+]=CN1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915726	1	50	0.0	-70.17	417.18	2.86	-67.31
C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@@H+]1C	REAL300024915727	0	55	0.0	-75.23	424.01	1.46	-73.77
C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@H+]1C	REAL300024915727	1	55	0.0	-72.57	429.46	2.01	-70.56
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CCC1	REAL300024915757	0	55	0.0	-65.50	434.35	2.47	-63.03
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CCC1	REAL300024915757	1	55	0.0	-64.51	434.26	2.47	-62.04
C[NH+]1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024915763	0	55	0.0	-75.26	432.70	2.17	-73.09
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915776	0	52	0.0	-63.74	407.54	1.05	-62.69
C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915776	1	52	0.0	-65.37	412.51	1.55	-63.82
C[N@@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915819	0	55	0.0	-64.25	420.14	1.92	-62.33
C[N@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915819	1	55	0.0	-63.71	420.77	1.90	-61.81
CC1C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@@H+]1C	REAL300024915848	0	55	0.0	-65.86	425.74	1.69	-64.17
CC1C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@H+]1C	REAL300024915848	1	55	0.0	-63.59	434.03	2.08	-61.51
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024915889	0	51	0.0	-68.75	405.59	0.89	-67.86
O=C(CC[NH+]1CCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915907	0	55	0.0	-70.23	435.76	2.22	-68.01
C[N@H+](CCO)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915912	1	52	0.0	-66.73	416.21	-2.08	-68.81
C[N@@H+](CCO)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915912	1	52	0.0	-68.92	415.96	-2.15	-71.07
CC1C[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024915955	1	52	0.0	-68.63	418.08	1.63	-67.00
CC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915987	0	51	0.0	-66.69	405.87	1.16	-65.53
CC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024915987	1	51	0.0	-66.56	405.86	1.16	-65.40
CC(CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024916040	0	57	0.0	-69.49	441.23	2.22	-67.27
CC[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024916045	0	55	0.0	-64.83	437.17	2.49	-62.34
CC[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024916045	1	55	0.0	-65.39	433.98	2.40	-62.99
C[N@@H+]1CC2CC1(C(=O)NCC1(NC(=O)CSC3=NNC(=O)[N-]3)CCCC1)C2	REAL300024916058	0	53	0.0	-69.89	419.47	1.71	-68.18
C[N@H+]1CC2CC1(C(=O)NCC1(NC(=O)CSC3=NNC(=O)[N-]3)CCCC1)C2	REAL300024916058	1	53	0.0	-73.12	412.54	1.75	-71.37
CC(C[NH+](C)C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916067	0	54	0.0	-60.47	425.88	1.74	-58.73
C[NH+](C)C1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024916073	0	52	0.0	-76.29	407.60	2.05	-74.24
C[C@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024916083	0	51	0.0	-68.65	406.10	0.85	-67.80
CC[N@@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916086	1	52	0.0	-66.43	412.82	1.22	-65.21
CC[N@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916086	1	52	0.0	-68.21	419.09	1.51	-66.70
NC1=CC=[NH+]C=C1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916097	0	48	0.0	-72.37	395.53	-1.09	-73.46
CCCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024916101	0	57	0.0	-68.44	439.54	2.28	-66.16
C[NH+](C)C(C)(C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916104	0	54	0.0	-74.11	415.60	1.65	-72.46
CC(CC[NH+](C)C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916113	0	57	0.0	-69.47	448.18	2.40	-67.07
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[NH+]2CC3CC3C2)CCCC1	REAL300024916172	0	53	0.0	-67.07	423.46	2.37	-64.70
C[N@@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916180	0	55	0.0	-64.25	420.14	1.92	-62.33
C[N@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916180	1	55	0.0	-63.71	420.77	1.90	-61.81
C[N@@H+]1CCC(=CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024916205	0	53	0.0	-74.29	426.27	2.05	-72.24
C[N@H+]1CCC(=CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024916205	1	53	0.0	-73.23	426.27	2.02	-71.21
[N-]=[N+]=NCC(=O)NCC1(NC(=O)CSC2=NC(=O)NN2)CCCC1	REAL300024916212	0	42	0.0	-25.17	364.39	-3.87	-29.04
CCC1C[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024916228	1	55	0.0	-69.45	440.64	2.32	-67.13
C[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916233	0	52	0.0	-63.71	413.98	1.51	-62.20
C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916233	1	52	0.0	-63.83	407.90	0.95	-62.88
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024916273	0	55	0.0	-67.31	436.98	2.26	-65.05
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[NH+]2CCCCC2)CCCC1	REAL300024916314	0	55	0.0	-66.40	429.85	2.36	-64.04
C[N@@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024916315	0	55	0.0	-69.63	432.74	2.12	-67.51
C[N@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024916315	1	55	0.0	-59.24	426.51	2.33	-56.91
CN1C=C[N+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)=C1	REAL300024916316	0	50	0.0	-66.79	419.37	4.00	-62.79
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024916326	0	52	0.0	-65.69	417.28	1.88	-63.81
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024916326	1	52	0.0	-64.26	417.54	1.90	-62.36
CC(CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C[NH+](C)C	REAL300024916334	0	57	0.0	-71.06	444.93	2.39	-68.67
C[NH+]1CC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024916383	0	52	0.0	-72.16	419.80	1.35	-70.81
C[NH+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916390	0	48	0.0	-67.41	388.14	0.49	-66.92
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024916398	0	51	0.0	-68.75	405.59	0.89	-67.86
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+]1CC(C)C1	REAL300024916412	1	55	0.0	-64.21	437.33	2.19	-62.02
CC1CC[N@@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916413	1	52	0.0	-66.42	413.21	1.30	-65.12
CC1CC[N@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916413	1	52	0.0	-66.76	418.77	1.57	-65.19
C[NH+](C)CC=CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916415	0	52	0.0	-75.44	423.38	1.72	-73.72
CC[NH+](CC)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916432	0	54	0.0	-65.98	419.36	1.48	-64.50
CC[NH+](CC)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916455	0	57	0.0	-68.65	445.29	2.35	-66.30
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+]1CCC1	REAL300024916483	1	52	0.0	-67.92	417.91	1.44	-66.48
C[NH+](C)CC(C)(C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916487	0	57	0.0	-68.25	435.18	2.05	-66.20
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916507	0	55	0.0	-68.02	420.38	1.83	-66.19
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916507	1	55	0.0	-61.64	429.57	2.09	-59.55
C=CCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024916526	0	55	0.0	-62.59	431.50	1.93	-60.66
NC(=[NH2+])SCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916549	0	46	0.0	-71.55	395.96	-2.64	-74.19
C[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916599	0	52	0.0	-65.99	413.14	1.49	-64.50
C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024916599	1	52	0.0	-67.30	407.38	1.01	-66.29
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[NH+]2CCCCC2)CCCC1	REAL300024916606	0	55	0.0	-68.94	429.16	2.37	-66.57
CC1C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@@H+]1C	REAL300024916609	0	55	0.0	-72.71	425.81	1.88	-70.83
CC1C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@H+]1C	REAL300024916609	1	55	0.0	-68.56	427.73	2.15	-66.41
C[N@@H+]1CCCC1C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024916809	0	52	0.0	-70.72	408.04	1.14	-69.58
C[N@H+]1CCCC1C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024916809	1	52	0.0	-65.48	404.39	1.38	-64.10
CC1=[NH+]C=CN1CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024916969	1	50	0.0	-66.00	412.88	2.22	-63.78
C[C@@H]1[C@H](C(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024916985	0	55	0.0	-66.48	418.91	2.61	-63.87
C[C@@H]1[C@H](C(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024916985	1	55	0.0	-67.03	420.44	3.03	-64.00
C[N@H+](CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024917008	0	55	0.0	-67.77	431.36	2.64	-65.13
C[N@@H+](CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024917008	1	55	0.0	-67.00	431.26	2.64	-64.36
C[NH+]1CCC(C(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024917031	0	55	0.0	-74.59	429.01	2.31	-72.28
CC1=C[NH+]=CN1CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917046	1	50	0.0	-66.48	415.62	2.93	-63.55
C[N@@H+]1CCC(CC(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917053	0	55	0.0	-68.63	433.32	2.26	-66.37
C[N@H+]1CCC(CC(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917053	1	55	0.0	-71.42	432.76	2.22	-69.20
CCC(C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024917056	0	54	0.0	-66.03	414.53	1.81	-64.22
C[NH+](C)CCCCC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917067	0	57	0.0	-70.10	452.15	2.79	-67.31
CCC[N@H+](C)CCC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917070	0	57	0.0	-70.96	448.50	2.58	-68.38
CCC[N@@H+](C)CCC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917070	1	57	0.0	-70.05	448.38	2.61	-67.44
CCC[N@H+](C)CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917071	0	54	0.0	-69.46	424.37	2.07	-67.39
CCC[N@@H+](C)CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917071	1	54	0.0	-70.02	424.50	2.05	-67.97
C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917083	0	52	0.0	-67.41	400.21	1.16	-66.25
C[N@H+]1CCC[C@@H]1C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917083	1	52	0.0	-67.30	411.52	1.70	-65.60
CC[NH+](CC)CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917091	0	54	0.0	-66.76	422.32	1.96	-64.80
C[NH+](C)CC1(C(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024917136	0	55	0.0	-67.47	428.48	2.22	-65.25
C[NH+]1CCC(C(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024917150	0	55	0.0	-74.59	429.01	2.31	-72.28
CC[N@H+](C)CCC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917175	0	54	0.0	-69.19	426.88	1.87	-67.32
CC[N@@H+](C)CCC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917175	1	54	0.0	-70.36	427.01	1.84	-68.52
CC1CCC[N@@H+]1CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917183	0	55	0.0	-67.82	430.54	2.41	-65.41
CC1CCC[N@H+]1CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917183	1	55	0.0	-66.36	431.85	2.31	-64.05
CC1CC[N@H+](CC(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917184	0	55	0.0	-67.29	432.86	2.37	-64.92
CC1CC[N@@H+](CC(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917184	1	55	0.0	-69.67	430.48	2.38	-67.29
CC[C@@H](C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024917186	0	54	0.0	-63.59	416.81	1.64	-61.95
C[NH+](C)CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917214	0	48	0.0	-68.24	386.79	0.66	-67.58
CN1C=C[N+](CC(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1	REAL300024917215	0	50	0.0	-67.54	416.37	4.18	-63.36
C[N@@H+]1CCCC(C(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917218	0	55	0.0	-69.80	431.27	2.26	-67.54
C[N@H+]1CCCC(C(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917218	1	55	0.0	-68.70	428.98	2.26	-66.44
CC(C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CCC1	REAL300024917224	1	52	0.0	-65.74	412.69	1.72	-64.02
C[N@H+](CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024917233	0	52	0.0	-66.64	414.45	2.07	-64.57
C[N@@H+](CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024917233	1	52	0.0	-66.42	416.31	2.04	-64.38
C[NH+]1CC(CC(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917242	0	52	0.0	-66.73	418.23	1.47	-65.26
C[C@@H](C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024917254	0	51	0.0	-66.06	404.49	1.06	-65.00
CC(CNC(=O)CSC1=NC(=O)NN1)(NC(=O)CN=[N+]=[N-])C1CC1	REAL300024917261	0	42	0.0	-23.69	363.76	-3.74	-27.43
C[C@@H](C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024917287	0	51	0.0	-66.06	404.49	1.06	-65.00
C[N@@H+]1CCCC[C@@H]1C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917290	0	55	0.0	-66.92	418.41	2.33	-64.59
C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917290	1	55	0.0	-67.06	424.00	2.22	-64.84
C[N@@H+]1CCC(=CC(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917321	0	53	0.0	-70.90	425.75	2.20	-68.70
C[N@H+]1CCC(=CC(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917321	1	53	0.0	-71.06	424.03	2.23	-68.83
C[C@H](C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024917336	0	51	0.0	-66.98	404.21	1.06	-65.92
CC1C[NH+](CC(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917351	1	52	0.0	-68.48	417.71	2.10	-66.38
C[N@H+](CCO)CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917363	1	52	0.0	-68.94	413.22	-1.90	-70.84
C[N@@H+](CCO)CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917363	1	52	0.0	-70.02	412.91	-1.90	-71.92
CC(CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024917373	0	57	0.0	-69.84	443.89	2.64	-67.20
CC[N@H+](C)CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917375	0	51	0.0	-67.73	404.52	1.32	-66.41
CC[N@@H+](C)CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917375	1	51	0.0	-68.82	402.87	1.33	-67.49
CC[N@H+](CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024917384	0	55	0.0	-66.06	434.00	2.72	-63.34
CC[N@@H+](CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024917384	1	55	0.0	-66.52	430.77	2.69	-63.83
CC[NH+](CC)CCC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917389	0	57	0.0	-69.09	440.49	2.28	-66.81
C[NH+](C)CC=CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917402	0	52	0.0	-70.09	422.74	1.88	-68.21
CC(CCC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024917415	0	57	0.0	-67.97	443.94	2.41	-65.56
CC[N@@H+]1CCC1C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917419	1	52	0.0	-68.67	415.48	1.60	-67.07
CC[N@H+]1CCC1C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917419	1	52	0.0	-64.97	411.31	1.31	-63.66
C=CCC(C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024917437	0	55	0.0	-70.93	428.75	2.19	-68.74
CC(CNC(=O)CSC1=NNC(=O)[N-]1)(NC(=O)C[NH+]1CC2CC2C1)C1CC1	REAL300024917444	0	53	0.0	-68.42	422.06	2.51	-65.91
CCCC(C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024917448	0	57	0.0	-64.77	441.97	2.94	-61.83
C[N@@H+]1CCCCC1C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917458	0	55	0.0	-67.78	416.11	2.46	-65.32
C[N@H+]1CCCCC1C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917458	1	55	0.0	-64.35	419.28	2.08	-62.27
CC(CNC(=O)CSC1=NNC(=O)[N-]1)(NC(=O)CC[NH+]1CCCC1)C1CC1	REAL300024917490	0	55	0.0	-68.59	435.11	2.38	-66.21
CC(C[NH+](C)C)C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917524	0	54	0.0	-70.49	421.34	1.84	-68.65
CC(C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CC(C)C1	REAL300024917543	1	55	0.0	-65.04	435.78	2.34	-62.70
CC1CC[N@@H+]1CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917544	1	52	0.0	-66.95	412.70	1.45	-65.50
CC1CC[N@H+]1CC(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917544	1	52	0.0	-66.66	412.69	1.45	-65.21
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917571	0	55	0.0	-64.56	436.34	2.39	-62.17
CC(CC[NH+](C)C)C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917572	0	57	0.0	-69.66	442.98	2.47	-67.19
C[N@@H+]1CCCC1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917737	0	52	0.0	-63.33	405.47	1.20	-62.13
C[N@H+]1CCCC1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917737	1	52	0.0	-69.93	405.15	1.21	-68.72
C[N@@H+]1CCOC(C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917763	1	53	0.0	-76.97	422.52	1.11	-75.86
C[N@H+]1CCOC(C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917763	1	53	0.0	-63.98	417.17	0.95	-63.03
C[N@@H+]1CCC(CC(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917913	0	55	0.0	-68.54	434.43	2.50	-66.04
C[N@H+]1CCC(CC(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024917913	1	55	0.0	-69.14	433.05	2.23	-66.91
CCC(C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024917916	0	54	0.0	-65.67	415.55	1.66	-64.01
C[NH+](C)CCCCC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917926	0	57	0.0	-72.98	450.64	2.78	-70.20
CC(C)C(C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024917929	0	57	0.0	-67.84	429.62	2.16	-65.68
CCC[N@H+](C)CCC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917930	0	57	0.0	-70.93	448.50	2.59	-68.34
CCC[N@@H+](C)CCC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917930	1	57	0.0	-69.70	448.39	2.61	-67.09
CCC[N@H+](C)CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917931	0	54	0.0	-66.59	426.02	2.08	-64.51
CCC[N@@H+](C)CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917931	1	54	0.0	-66.83	426.02	2.08	-64.75
C[NH+](C)CC1(C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024917970	0	55	0.0	-76.17	437.93	2.48	-73.69
CC[N@H+](C)CCC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917976	0	54	0.0	-69.23	426.88	1.87	-67.36
CC[N@@H+](C)CCC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024917976	1	54	0.0	-69.03	426.88	1.87	-67.16
C[NH+]1CCC(C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024917998	0	55	0.0	-70.91	431.37	2.32	-68.59
CC(C)[C@H](C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024918013	0	57	0.0	-61.14	433.64	2.48	-58.66
C[NH+](C)C1(C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCC1	REAL300024918035	0	55	0.0	-72.14	416.69	2.08	-70.06
CC1CCC[N@@H+]1CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918059	0	55	0.0	-64.43	431.18	2.32	-62.11
CC1CCC[N@H+]1CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918059	1	55	0.0	-65.38	432.07	2.41	-62.97
CC(C)[C@@H](C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024918070	0	57	0.0	-68.86	434.31	2.87	-65.99
CC1CC[N@H+](CC(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024918078	0	55	0.0	-65.04	433.70	2.70	-62.34
CC1CC[N@@H+](CC(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024918078	1	55	0.0	-65.79	432.81	2.39	-63.40
CC[C@@H](C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024918080	0	54	0.0	-65.29	415.29	1.71	-63.58
CC1=[NH+]C=CN1CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918117	1	50	0.0	-62.89	416.22	2.27	-60.62
CC1=C[NH+]=CN1CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918135	1	50	0.0	-68.35	415.50	2.96	-65.39
C[C@@H]1[C@H](C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024918136	0	55	0.0	-75.27	421.87	1.59	-73.68
C[C@@H]1[C@H](C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024918136	1	55	0.0	-72.48	428.63	2.37	-70.11
C[N@H+](CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024918166	0	55	0.0	-64.06	432.88	2.64	-61.42
C[N@@H+](CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300024918166	1	55	0.0	-65.28	433.02	2.65	-62.63
C[NH+]1CCC(C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024918172	0	55	0.0	-70.91	431.37	2.32	-68.59
C[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918185	0	52	0.0	-64.01	405.24	1.17	-62.84
C[N@H+]1CCC[C@@H]1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918185	1	52	0.0	-62.58	413.20	1.65	-60.93
C[N@@H+]1CCCCC1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918228	0	55	0.0	-64.59	417.85	2.04	-62.55
C[N@H+]1CCCCC1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918228	1	55	0.0	-59.95	429.62	2.54	-57.41
CC1C(C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024918257	0	55	0.0	-66.21	427.12	2.27	-63.94
CC1C(C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024918257	1	55	0.0	-68.88	423.53	1.68	-67.20
C[C@@H](C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024918298	0	51	0.0	-66.88	404.65	1.08	-65.80
CC(CNC(=O)CC[NH+]1CCCC1)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918316	0	55	0.0	-68.93	433.51	2.27	-66.66
C[N@H+](CCO)CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918321	1	52	0.0	-68.40	414.87	-1.91	-70.31
C[N@@H+](CCO)CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918321	1	52	0.0	-66.70	414.70	-1.90	-68.60
CC1C[NH+](CC(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024918364	1	52	0.0	-68.54	415.26	1.83	-66.71
CC[N@H+](C)CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918396	0	51	0.0	-66.37	404.52	1.33	-65.04
CC[N@@H+](C)CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918396	1	51	0.0	-66.50	404.52	1.33	-65.17
CC(CCC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024918449	0	57	0.0	-70.54	438.42	2.35	-68.19
CC[N@H+](CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024918454	0	55	0.0	-64.20	433.12	2.63	-61.57
CC[N@@H+](CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024918454	1	55	0.0	-63.84	432.92	2.62	-61.22
C[N@@H+]1CC2CC1(C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300024918467	0	53	0.0	-68.44	418.85	1.87	-66.57
C[N@H+]1CC2CC1(C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300024918467	1	53	0.0	-73.01	415.46	1.97	-71.04
CC(C[NH+](C)C)C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918476	0	54	0.0	-70.90	423.57	1.88	-69.02
C[NH+](C)C1(C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300024918482	0	52	0.0	-73.81	406.43	2.05	-71.76
C[C@H](C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024918492	0	51	0.0	-64.72	402.33	1.12	-63.60
CC[N@@H+]1CCC1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918495	1	52	0.0	-64.52	410.10	1.39	-63.13
CC[N@H+]1CCC1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918495	1	52	0.0	-67.16	416.81	1.68	-65.48
CC(CNC(=O)C1=C[NH+]=CC=C1N)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918506	0	48	0.0	-69.31	394.89	-0.85	-70.16
CCCC(C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024918510	0	57	0.0	-69.87	440.42	2.61	-67.26
C[NH+](C)C(C)(C)C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918513	0	54	0.0	-69.86	412.74	1.81	-68.05
CC(CC[NH+](C)C)C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918522	0	57	0.0	-70.68	445.32	2.53	-68.15
CC(CNC(=O)C[NH+]1CC2CC2C1)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918581	0	53	0.0	-66.52	422.12	2.54	-63.98
C[N@@H+]1CCCCC1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918589	0	55	0.0	-64.59	417.85	2.04	-62.55
C[N@H+]1CCCCC1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918589	1	55	0.0	-59.95	429.62	2.54	-57.41
C[N@@H+]1CCC(=CC(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024918614	0	53	0.0	-73.35	423.17	2.19	-71.16
C[N@H+]1CCC(=CC(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024918614	1	53	0.0	-72.46	425.76	2.17	-70.29
CC(CNC(=O)CN=[N+]=[N-])(NC(=O)CSC1=NC(=O)NN1)C1CC1	REAL300024918621	0	42	0.0	-24.07	363.76	-3.75	-27.82
CCC1C[NH+](CC(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024918637	1	55	0.0	-68.50	437.84	2.52	-65.98
C[N@@H+]1CCC[C@H]1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918642	0	52	0.0	-64.60	413.03	1.71	-62.89
C[N@H+]1CCC[C@H]1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918642	1	52	0.0	-72.07	408.04	1.13	-70.94
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024918682	0	55	0.0	-65.63	434.76	2.39	-63.24
CC(CNC(=O)C[NH+]1CCCCC1)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918723	0	55	0.0	-65.52	428.42	2.50	-63.02
C[N@@H+]1CCCC(C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024918724	0	55	0.0	-68.10	431.39	2.30	-65.80
C[N@H+]1CCCC(C(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024918724	1	55	0.0	-62.47	425.05	2.48	-59.99
CN1C=C[N+](CC(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1	REAL300024918725	0	50	0.0	-63.82	418.02	4.17	-59.65
C[N@H+](CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024918735	0	52	0.0	-64.06	416.20	2.07	-61.99
C[N@@H+](CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300024918735	1	52	0.0	-64.09	416.05	2.06	-62.03
CC(CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300024918743	0	57	0.0	-70.99	442.46	2.64	-68.35
C[NH+]1CC(CC(=O)NCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024918792	0	52	0.0	-70.51	418.23	1.48	-69.03
C[NH+](C)CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918799	0	48	0.0	-68.25	385.28	0.64	-67.61
C[C@@H](C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024918807	0	51	0.0	-66.88	404.65	1.08	-65.80
CC(C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CC(C)C1	REAL300024918821	1	55	0.0	-64.61	433.10	2.42	-62.19
CC1CC[N@@H+]1CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918822	1	52	0.0	-65.56	412.71	1.45	-64.11
CC1CC[N@H+]1CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918822	1	52	0.0	-64.83	413.18	1.55	-63.28
C[NH+](C)CC=CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918824	0	52	0.0	-75.15	421.24	1.84	-73.31
CC[NH+](CC)CC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918841	0	54	0.0	-65.63	420.69	2.00	-63.63
CC[NH+](CC)CCC(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918864	0	57	0.0	-69.58	442.83	2.53	-67.05
CC(C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CCC1	REAL300024918892	1	52	0.0	-67.31	415.29	1.69	-65.62
C[NH+](C)CC(C)(C)C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918896	0	57	0.0	-69.38	435.91	2.40	-66.98
C[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918916	0	55	0.0	-64.44	419.43	2.10	-62.34
C[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024918916	1	55	0.0	-61.97	427.10	2.24	-59.73
C=CCC(C(=O)NCC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300024918935	0	55	0.0	-66.13	428.23	2.09	-64.04
CC(CNC(=O)CSC1=NNC(=O)[N-]1)(NC(=O)CSC(N)=[NH2+])C1CC1	REAL300024918958	0	46	0.0	-70.01	395.31	-2.47	-72.48
C[N@@H+]1CCC[C@H]1C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024919008	0	52	0.0	-65.52	408.90	1.65	-63.87
C[N@H+]1CCC[C@H]1C(=O)NC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024919008	1	52	0.0	-75.43	394.61	1.73	-73.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)(NC(=O)C[NH+]1CCCCC1)C1CC1	REAL300024919015	0	55	0.0	-67.86	428.51	2.53	-65.33
CC1C(C(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300024919018	0	55	0.0	-65.76	428.20	1.84	-63.92
CC1C(C(=O)NC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300024919018	1	55	0.0	-64.33	432.57	2.23	-62.10
CC1CCCCC1(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+](C)C	REAL300024919147	0	54	0.0	-70.45	410.22	1.92	-68.53
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1C)[NH+](C)C	REAL300024919152	0	57	0.0	-67.31	427.68	2.35	-64.96
CC1CCCCC1(CNC(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300024919155	0	48	0.0	-24.28	387.19	-2.48	-26.76
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1C)[NH+](C)C	REAL300024919162	0	57	0.0	-67.31	427.68	2.35	-64.96
C[C@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1C)[NH+](C)C	REAL300024919174	0	57	0.0	-68.57	423.42	2.31	-66.26
CC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1C	REAL300024919183	0	57	0.0	-70.15	425.54	2.61	-67.54
CC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1C	REAL300024919183	1	57	0.0	-68.67	427.02	2.74	-65.93
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1C)[NH+](C)C	REAL300024919314	0	57	0.0	-65.45	427.25	2.45	-63.00
CC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1C	REAL300024919333	0	57	0.0	-68.00	427.95	2.59	-65.41
CC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1C	REAL300024919333	1	57	0.0	-68.17	427.95	2.60	-65.57
C[C@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1C)[NH+](C)C	REAL300024919346	0	57	0.0	-61.63	427.33	2.45	-59.18
CC1CCCCC1(CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024919370	0	48	0.0	-23.47	386.25	-2.32	-25.79
CC1CCCCC1(CNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024919397	0	54	0.0	-68.50	410.26	1.87	-66.63
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1C)[NH+](C)C	REAL300024919400	0	57	0.0	-65.45	427.25	2.45	-63.00
C[N@@H+]1CCCC1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919539	0	55	0.0	-69.42	429.23	2.79	-66.63
C[N@H+]1CCCC1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919539	1	55	0.0	-69.41	429.24	2.80	-66.61
CCC(C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024919639	0	57	0.0	-70.15	435.50	2.95	-67.20
CCC[N@H+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919644	0	57	0.0	-73.18	446.70	3.46	-69.72
CCC[N@@H+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919644	1	57	0.0	-73.25	446.66	3.45	-69.80
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919652	0	55	0.0	-72.28	425.98	2.58	-69.70
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919652	1	55	0.0	-70.03	430.14	2.89	-67.14
CC[NH+](CC)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919657	0	57	0.0	-71.13	443.41	3.40	-67.73
CC[N@H+](C)CCC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919713	0	57	0.0	-75.27	447.52	3.31	-71.96
CC[N@@H+](C)CCC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919713	1	57	0.0	-75.22	447.52	3.31	-71.91
CC[C@@H](C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024919716	0	57	0.0	-71.04	437.06	3.01	-68.03
C[NH+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919734	0	51	0.0	-73.50	407.43	2.04	-71.46
CC(C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024919738	1	55	0.0	-70.72	426.27	2.58	-68.14
C[N@H+](CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024919744	0	55	0.0	-69.96	436.69	3.45	-66.51
C[N@@H+](CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024919744	1	55	0.0	-70.71	436.83	3.45	-67.26
C[NH+]1CC(CC(=O)N2CCCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024919750	0	55	0.0	-75.12	438.72	2.91	-72.21
C[C@@H](C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024919757	0	54	0.0	-71.05	423.84	2.43	-68.62
[N-]=[N+]=NCC(=O)N1CCCC(CCNC(=O)CSC2=NC(=O)NN2)C1	REAL300024919760	0	45	0.0	-25.79	384.77	-2.34	-28.13
C[C@@H](C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024919778	0	54	0.0	-71.05	423.84	2.43	-68.62
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024919796	1	52	0.0	-73.33	417.78	2.50	-70.83
C[C@H](C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024919807	0	54	0.0	-70.76	422.76	2.35	-68.41
CC1C[NH+](CC(=O)N2CCCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024919813	1	55	0.0	-73.31	438.72	3.14	-70.17
CC[N@H+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919830	0	54	0.0	-72.75	425.20	2.71	-70.04
CC[N@@H+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919830	1	54	0.0	-72.77	425.16	2.71	-70.06
C[NH+](C)CC=CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919846	0	55	0.0	-79.52	443.89	3.32	-76.20
CC[N@@H+]1CCC1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919852	1	55	0.0	-71.52	429.00	2.61	-68.91
CC[N@H+]1CCC1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919852	1	55	0.0	-70.23	430.43	2.68	-67.55
C[NH+](C)C(C)(C)C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919865	0	57	0.0	-74.38	426.96	2.48	-71.90
C[NH+](C)C1(C(=O)N2CCCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024919887	0	55	0.0	-75.29	429.52	2.52	-72.77
CC(C[NH+](C)C)C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919909	0	57	0.0	-68.59	443.72	3.15	-65.44
CC1CC[N@@H+]1CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919918	1	55	0.0	-71.81	438.74	3.12	-68.69
CC1CC[N@H+]1CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024919918	1	55	0.0	-70.88	433.79	2.91	-67.97
C[N@@H+]1CCCC1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920027	0	55	0.0	-72.50	427.74	2.70	-69.80
C[N@H+]1CCCC1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920027	1	55	0.0	-73.09	427.82	2.71	-70.38
CCC(C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024920098	0	57	0.0	-70.40	438.30	3.14	-67.26
CCC[N@H+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920102	0	57	0.0	-73.23	447.00	3.57	-69.66
CCC[N@@H+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920102	1	57	0.0	-73.29	447.00	3.56	-69.73
CC[N@H+](C)CCC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920119	0	57	0.0	-75.89	447.87	3.37	-72.52
CC[N@@H+](C)CCC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920119	1	57	0.0	-75.89	447.86	3.38	-72.51
CC[C@@H](C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024920159	0	57	0.0	-70.31	438.18	3.16	-67.15
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920205	0	55	0.0	-73.12	427.77	2.71	-70.41
C[N@H+]1CCC[C@@H]1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920205	1	55	0.0	-70.25	434.07	3.22	-67.03
C[C@@H](C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024920259	0	54	0.0	-72.00	425.89	2.55	-69.45
CC1C[NH+](CC(=O)NCCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024920283	1	55	0.0	-73.66	439.04	3.25	-70.41
CC[N@H+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920301	0	54	0.0	-72.90	425.50	2.83	-70.07
CC[N@@H+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920301	1	54	0.0	-72.92	425.50	2.82	-70.10
CC(C[NH+](C)C)C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920331	0	57	0.0	-67.74	445.98	3.52	-64.22
C[NH+](C)C1(C(=O)NCCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024920334	0	55	0.0	-79.01	431.50	3.16	-75.85
C[C@H](C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024920338	0	54	0.0	-71.76	425.94	2.56	-69.20
CC[N@@H+]1CCC1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920341	1	55	0.0	-71.90	431.63	3.01	-68.89
CC[N@H+]1CCC1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920341	1	55	0.0	-72.89	439.39	3.19	-69.70
C[NH+](C)C(C)(C)C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920349	0	57	0.0	-78.61	435.25	3.32	-75.29
[N-]=[N+]=NCC(=O)NCCC1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024920395	0	45	0.0	-25.73	384.75	-2.24	-27.97
C[N@@H+]1CCC[C@H]1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920408	0	55	0.0	-69.57	433.42	3.11	-66.46
C[N@H+]1CCC[C@H]1C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920408	1	55	0.0	-73.01	427.78	2.71	-70.30
C[N@H+](CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024920445	0	55	0.0	-70.18	437.04	3.56	-66.62
C[N@@H+](CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024920445	1	55	0.0	-70.18	437.03	3.56	-66.62
C[NH+]1CC(CC(=O)NCCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024920473	0	55	0.0	-75.37	439.23	2.98	-72.39
C[NH+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920476	0	51	0.0	-73.55	407.79	2.15	-71.40
C[C@@H](C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024920479	0	54	0.0	-72.00	425.89	2.55	-69.45
CC1CC[N@@H+]1CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920486	1	55	0.0	-71.21	433.56	2.97	-68.24
CC1CC[N@H+]1CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920486	1	55	0.0	-71.12	434.16	3.04	-68.08
C[NH+](C)CC=CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920487	0	55	0.0	-79.60	443.75	3.37	-76.23
CC[NH+](CC)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920493	0	57	0.0	-71.60	443.89	3.52	-68.08
O=C(C[NH+]1CCC1)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920494	1	52	0.0	-73.73	417.87	2.58	-71.15
CC(C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024920516	1	55	0.0	-71.97	438.09	3.11	-68.86
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920584	0	55	0.0	-69.95	429.48	2.89	-67.06
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024920584	1	55	0.0	-71.43	426.07	2.57	-68.86
C[N@@H+]1CCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024920706	0	55	0.0	-69.21	425.78	2.62	-66.59
C[N@H+]1CCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024920706	1	55	0.0	-68.04	430.13	2.92	-65.12
CCC(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024920806	0	57	0.0	-67.54	432.06	2.85	-64.69
CCC[N@H+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024920811	0	57	0.0	-71.00	446.67	3.48	-67.52
CCC[N@@H+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024920811	1	57	0.0	-70.97	446.67	3.49	-67.48
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024920819	0	55	0.0	-69.48	425.98	2.61	-66.87
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024920819	1	55	0.0	-67.89	428.88	2.85	-65.04
CC[NH+](CC)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024920824	0	57	0.0	-69.20	439.07	3.14	-66.06
CC[N@H+](C)CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024920880	0	57	0.0	-73.05	447.52	3.35	-69.70
CC[N@@H+](C)CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024920880	1	57	0.0	-73.01	447.53	3.34	-69.67
CC[C@@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024920883	0	57	0.0	-67.46	431.75	2.87	-64.59
C[NH+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024920901	0	51	0.0	-74.76	407.44	2.06	-72.70
CC(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024920905	0	55	0.0	-72.41	434.40	2.91	-69.50
C[N@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024920911	0	55	0.0	-67.98	436.73	3.47	-64.51
C[N@@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024920911	1	55	0.0	-68.56	436.84	3.48	-65.08
C[NH+]1CC(CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024920917	0	55	0.0	-72.93	438.78	2.93	-70.00
C[C@@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024920924	0	54	0.0	-69.22	424.13	2.47	-66.75
[N-]=[N+]=NCC(=O)N1CCC(CCNC(=O)CSC2=NC(=O)NN2)CC1	REAL300024920927	0	45	0.0	-25.44	384.41	-2.34	-27.78
C[C@@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024920945	0	54	0.0	-69.22	424.13	2.47	-66.75
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300024920963	1	52	0.0	-71.15	417.48	2.47	-68.68
C[C@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024920974	0	54	0.0	-69.04	423.30	2.44	-66.60
CC1C[NH+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024920980	1	55	0.0	-71.09	438.70	3.16	-67.93
CC[N@H+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024920997	0	54	0.0	-70.55	425.17	2.73	-67.82
CC[N@@H+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024920997	1	54	0.0	-70.61	425.17	2.73	-67.88
C[NH+](C)CC=CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921013	0	55	0.0	-79.78	442.31	3.30	-76.48
CC[N@@H+]1CCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921019	0	55	0.0	-70.26	438.14	2.98	-67.28
CC[N@H+]1CCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921019	1	55	0.0	-69.96	438.58	3.05	-66.91
C[NH+](C)C(C)(C)C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921032	0	57	0.0	-71.02	426.96	2.50	-68.52
C[NH+](C)C1(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024921054	0	55	0.0	-71.82	426.43	2.52	-69.30
CC(C[NH+](C)C)C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921076	0	57	0.0	-76.94	444.64	3.15	-73.79
CC1CC[N@@H+]1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921085	0	55	0.0	-69.73	438.76	3.15	-66.58
CC1CC[N@H+]1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921085	1	55	0.0	-69.76	438.74	3.15	-66.61
C[N@@H+]1CCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921194	0	55	0.0	-72.70	427.38	2.71	-69.99
C[N@H+]1CCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921194	1	55	0.0	-71.93	427.44	2.72	-69.21
CCC(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024921265	0	57	0.0	-70.36	438.09	3.16	-67.20
CCC[N@H+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921269	0	57	0.0	-72.96	446.67	3.57	-69.39
CCC[N@@H+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921269	1	57	0.0	-72.94	446.60	3.57	-69.37
CC[N@H+](C)CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921286	0	57	0.0	-74.49	447.54	3.39	-71.10
CC[N@@H+](C)CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921286	1	57	0.0	-74.47	447.54	3.39	-71.08
CC[C@@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024921326	0	57	0.0	-70.33	438.09	3.17	-67.16
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921372	0	55	0.0	-71.49	427.41	2.72	-68.77
C[N@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921372	1	55	0.0	-69.79	432.37	3.25	-66.54
C[C@@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024921426	0	54	0.0	-71.79	425.55	2.56	-69.23
CC1C[NH+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024921450	1	55	0.0	-73.00	438.64	3.25	-69.75
CC[N@H+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921468	0	54	0.0	-72.51	425.15	2.84	-69.67
CC[N@@H+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921468	1	54	0.0	-72.50	425.10	2.83	-69.67
CC(C[NH+](C)C)C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921498	0	57	0.0	-74.17	445.85	3.45	-70.72
C[NH+](C)C1(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024921501	0	55	0.0	-76.03	429.87	3.87	-72.16
C[C@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024921505	0	54	0.0	-71.11	425.56	2.59	-68.52
CC[N@@H+]1CCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921508	1	55	0.0	-70.60	432.21	2.89	-67.71
CC[N@H+]1CCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921508	1	55	0.0	-72.35	439.04	3.21	-69.14
C[NH+](C)C(C)(C)C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921516	0	57	0.0	-76.38	434.68	3.36	-73.02
[N-]=[N+]=NCC(=O)NCCC1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024921562	0	45	0.0	-24.45	384.40	-2.23	-26.68
C[N@@H+]1CCC[C@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921575	0	55	0.0	-69.45	433.10	3.14	-66.31
C[N@H+]1CCC[C@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921575	1	55	0.0	-72.73	427.38	2.73	-70.00
C[N@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024921612	0	55	0.0	-70.02	436.71	3.57	-66.45
C[N@@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024921612	1	55	0.0	-70.64	436.84	3.58	-67.06
C[NH+]1CC(CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024921640	0	55	0.0	-74.35	438.89	2.99	-71.36
C[NH+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921643	0	51	0.0	-73.23	407.44	2.17	-71.06
C[C@@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024921646	0	54	0.0	-71.79	425.55	2.56	-69.23
CC1CC[N@@H+]1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921653	1	55	0.0	-71.36	438.70	3.28	-68.08
CC1CC[N@H+]1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921653	1	55	0.0	-71.60	438.71	3.24	-68.36
C[NH+](C)CC=CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921654	0	55	0.0	-77.73	443.41	3.38	-74.35
CC[NH+](CC)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921660	0	57	0.0	-71.02	443.54	3.53	-67.49
O=C(C[NH+]1CCC1)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921661	1	52	0.0	-73.13	417.47	2.58	-70.55
CC(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024921683	1	55	0.0	-70.61	435.56	3.24	-67.37
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921751	0	55	0.0	-68.31	432.78	2.99	-65.32
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921751	1	55	0.0	-69.31	425.79	2.61	-66.70
C[N@@H+]1CCCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921934	0	52	0.0	-68.23	417.79	1.36	-66.87
C[N@H+]1CCCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024921934	1	52	0.0	-69.47	418.01	1.45	-68.02
C[N@@H+]1CCOC(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024921958	1	53	0.0	-82.89	429.51	0.85	-82.04
C[N@H+]1CCOC(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024921958	1	53	0.0	-82.88	429.49	0.85	-82.03
CC1=[NH+]C=CN1CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922097	1	50	0.0	-69.19	421.51	2.01	-67.18
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024922115	0	55	0.0	-77.25	428.65	1.37	-75.88
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024922115	1	55	0.0	-72.74	434.20	1.87	-70.87
C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024922135	0	55	0.0	-74.91	426.24	1.54	-73.37
CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024922137	0	57	0.0	-70.96	438.30	2.86	-68.10
C[N@H+](CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024922146	0	55	0.0	-70.56	438.33	2.37	-68.19
C[N@@H+](CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024922146	1	55	0.0	-70.83	438.34	2.39	-68.44
C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024922170	0	55	0.0	-75.68	436.68	2.05	-73.63
C[N@@H+]1CCCCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922176	0	55	0.0	-70.01	424.76	1.82	-68.19
C[N@H+]1CCCCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922176	1	55	0.0	-68.78	434.08	1.99	-66.79
CC1=C[NH+]=CN1CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922193	1	50	0.0	-71.17	421.87	2.74	-68.43
C[N@@H+]1CCC(CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024922203	0	55	0.0	-75.33	438.89	1.95	-73.38
C[N@H+]1CCC(CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024922203	1	55	0.0	-75.18	438.43	1.98	-73.20
CCC(C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024922206	0	54	0.0	-69.44	421.59	1.40	-68.04
C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922220	0	57	0.0	-75.80	457.46	2.52	-73.28
CC(C)C(C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024922223	0	57	0.0	-70.87	436.32	1.94	-68.93
CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922224	0	57	0.0	-75.16	453.70	2.36	-72.80
CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922224	1	57	0.0	-75.26	453.70	2.35	-72.91
CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922225	0	54	0.0	-72.93	431.34	1.83	-71.10
CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922225	1	54	0.0	-72.82	431.35	1.83	-70.99
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922240	0	52	0.0	-70.97	412.15	0.94	-70.03
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922240	1	52	0.0	-69.54	417.20	1.45	-68.09
CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922252	0	54	0.0	-71.21	423.70	1.47	-69.74
C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024922306	0	55	0.0	-74.09	444.66	2.16	-71.93
C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024922328	0	55	0.0	-75.68	436.68	2.05	-73.63
CC(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024922343	0	57	0.0	-69.94	441.29	2.53	-67.41
CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922370	0	54	0.0	-74.51	432.20	1.59	-72.92
CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922370	1	54	0.0	-74.49	432.20	1.59	-72.90
CC1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922380	0	55	0.0	-70.06	437.05	2.07	-67.99
CC1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922380	1	55	0.0	-69.42	430.80	1.77	-67.65
CC1CC[N@H+](CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024922381	0	55	0.0	-71.95	438.32	2.05	-69.90
CC1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024922381	1	55	0.0	-71.96	437.45	2.08	-69.88
CC[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024922383	0	54	0.0	-70.17	422.34	1.40	-68.77
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922419	0	48	0.0	-72.27	392.10	0.39	-71.88
CN1C=C[N+](CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024922420	0	50	0.0	-71.04	423.33	3.90	-67.14
C[N@@H+]1CCCC(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024922423	0	55	0.0	-73.74	436.68	2.00	-71.74
C[N@H+]1CCCC(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024922423	1	55	0.0	-66.56	430.42	2.23	-64.33
CC(C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024922430	1	52	0.0	-71.73	422.11	1.31	-70.42
C[NH+](C)CC(C)(C)C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922433	0	57	0.0	-73.37	439.31	2.06	-71.31
C[N@H+](CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024922440	0	52	0.0	-70.03	421.37	1.82	-68.21
C[N@@H+](CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024922440	1	52	0.0	-70.41	421.52	1.80	-68.61
C[NH+]1CC(CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024922451	0	52	0.0	-72.88	423.53	1.22	-71.66
C[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024922463	0	51	0.0	-70.72	410.22	0.81	-69.91
[N-]=[N+]=NCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NC(=O)NN2)CC1	REAL300024922470	0	42	0.0	-24.70	369.07	-4.01	-28.71
C[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024922501	0	51	0.0	-70.72	410.22	0.81	-69.91
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922504	0	55	0.0	-70.00	424.75	1.82	-68.18
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922504	1	55	0.0	-70.33	434.06	2.01	-68.32
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CC[C@H](NC(=O)C[NH+]2CCC2)CC1	REAL300024922531	1	49	0.0	-72.92	402.40	0.87	-72.05
C[N@@H+]1CCC(=CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024922540	0	53	0.0	-76.56	430.01	1.99	-74.57
C[N@H+]1CCC(=CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024922540	1	53	0.0	-76.57	430.96	1.94	-74.63
C[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024922558	0	51	0.0	-71.81	410.24	0.82	-70.99
CC1C[NH+](CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024922574	1	52	0.0	-72.91	423.32	1.52	-71.39
C[N@H+](CCO)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922587	1	52	0.0	-73.77	420.19	-2.18	-75.95
C[N@@H+](CCO)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922587	1	52	0.0	-72.95	419.97	-2.19	-75.14
CC(CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024922599	0	57	0.0	-73.77	449.30	2.40	-71.37
CC[N@H+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922601	0	51	0.0	-72.41	409.84	1.06	-71.35
CC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922601	1	51	0.0	-72.51	409.84	1.06	-71.45
CC[N@H+](CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024922611	0	55	0.0	-69.38	440.70	2.44	-66.94
CC[N@@H+](CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024922611	1	55	0.0	-70.18	438.49	2.41	-67.77
CC[NH+](CC)CCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922617	0	57	0.0	-73.50	450.05	2.29	-71.21
CC1(C)C[NH+](CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024922625	1	55	0.0	-72.95	442.48	1.96	-70.99
C[NH+](C)CC=CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922632	0	52	0.0	-77.67	428.06	1.62	-76.05
CC(CCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024922649	0	57	0.0	-72.95	449.39	2.11	-70.84
CC[N@@H+]1CCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922653	1	52	0.0	-71.81	415.93	1.26	-70.55
CC[N@H+]1CCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922653	1	52	0.0	-72.03	423.77	1.36	-70.67
C=CCC(C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024922674	0	55	0.0	-72.35	440.13	2.07	-70.28
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CC[C@H](NC(=O)C[NH+]2CC3CC3C2)CC1	REAL300024922682	0	53	0.0	-72.97	426.66	2.22	-70.75
CCCC(C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024922687	0	57	0.0	-71.59	444.01	2.17	-69.42
C[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922689	0	54	0.0	-75.11	419.57	1.56	-73.55
C[N@@H+]1CCCCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922699	0	55	0.0	-70.01	424.76	1.82	-68.19
C[N@H+]1CCCCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922699	1	55	0.0	-68.78	434.08	1.99	-66.79
C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024922735	0	52	0.0	-74.03	420.72	1.75	-72.28
O=C(CC[NH+]1CCCC1)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922736	0	55	0.0	-74.00	439.97	2.10	-71.90
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024922746	0	53	0.0	-73.41	422.73	1.65	-71.76
C[N@H+]1CC2CC1(C(=O)N[C@H]1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024922746	1	53	0.0	-76.58	424.38	1.59	-74.99
CC(C[NH+](C)C)C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922781	0	54	0.0	-67.93	430.30	1.77	-66.16
CC(C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024922801	1	55	0.0	-70.59	439.66	2.11	-68.48
CC1CC[N@@H+]1CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922802	1	52	0.0	-71.17	423.42	1.50	-69.67
CC1CC[N@H+]1CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922802	1	52	0.0	-71.88	423.43	1.47	-70.41
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024922833	0	55	0.0	-72.72	441.65	2.12	-70.60
CC(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024922834	0	57	0.0	-74.59	452.15	2.27	-72.32
C[N@@H+]1CCCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923003	0	52	0.0	-68.23	417.79	1.36	-66.87
C[N@H+]1CCCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923003	1	52	0.0	-69.47	418.01	1.45	-68.02
C[N@@H+]1CCOC(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923029	1	53	0.0	-82.89	429.51	0.85	-82.04
C[N@H+]1CCOC(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923029	1	53	0.0	-82.88	429.49	0.85	-82.03
C[N@@H+]1CCC(CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923179	0	55	0.0	-75.33	438.89	1.95	-73.38
C[N@H+]1CCC(CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923179	1	55	0.0	-75.18	438.43	1.98	-73.20
CCC(C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024923182	0	54	0.0	-69.44	421.59	1.40	-68.04
C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923192	0	57	0.0	-75.80	457.46	2.52	-73.28
CC(C)C(C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024923195	0	57	0.0	-70.87	436.32	1.94	-68.93
CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923196	0	57	0.0	-75.16	453.70	2.36	-72.80
CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923196	1	57	0.0	-75.26	453.70	2.35	-72.91
CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923197	0	54	0.0	-72.93	431.34	1.83	-71.10
CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923197	1	54	0.0	-72.82	431.35	1.83	-70.99
C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024923236	0	55	0.0	-74.09	444.66	2.16	-71.93
CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923242	0	54	0.0	-74.51	432.20	1.59	-72.92
CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923242	1	54	0.0	-74.49	432.20	1.59	-72.90
C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024923264	0	55	0.0	-75.68	436.68	2.05	-73.63
CC(C)[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024923279	0	57	0.0	-69.94	441.29	2.53	-67.41
C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024923301	0	55	0.0	-74.91	426.24	1.54	-73.37
CC1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923325	0	55	0.0	-70.06	437.05	2.07	-67.99
CC1CCC[N@H+]1CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923325	1	55	0.0	-69.42	430.80	1.77	-67.65
CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024923336	0	57	0.0	-70.96	438.30	2.86	-68.10
CC1CC[N@H+](CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923344	0	55	0.0	-71.95	438.32	2.05	-69.90
CC1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923344	1	55	0.0	-71.96	437.45	2.08	-69.88
CC[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024923346	0	54	0.0	-70.17	422.34	1.40	-68.77
CC1=[NH+]C=CN1CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923383	1	50	0.0	-69.19	421.51	2.01	-67.18
CC1=C[NH+]=CN1CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923401	1	50	0.0	-71.17	421.87	2.74	-68.43
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024923402	0	55	0.0	-77.25	428.65	1.37	-75.88
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024923402	1	55	0.0	-72.74	434.20	1.87	-70.87
C[N@H+](CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024923432	0	55	0.0	-70.56	438.33	2.37	-68.19
C[N@@H+](CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300024923432	1	55	0.0	-70.83	438.34	2.39	-68.44
C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024923438	0	55	0.0	-75.68	436.68	2.05	-73.63
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923451	0	52	0.0	-70.97	412.15	0.94	-70.03
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923451	1	52	0.0	-69.54	417.20	1.45	-68.09
C[N@@H+]1CCCCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923494	0	55	0.0	-70.01	424.76	1.82	-68.19
C[N@H+]1CCCCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923494	1	55	0.0	-68.78	434.08	1.99	-66.79
CC1C(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300024923523	0	55	0.0	-73.16	432.25	1.56	-71.60
CC1C(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300024923523	1	55	0.0	-75.08	429.73	1.58	-73.50
C[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024923564	0	51	0.0	-70.72	410.22	0.81	-69.91
O=C(CC[NH+]1CCCC1)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923582	0	55	0.0	-74.00	439.97	2.10	-71.90
C[N@H+](CCO)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923587	1	52	0.0	-73.77	420.19	-2.18	-75.95
C[N@@H+](CCO)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923587	1	52	0.0	-72.95	419.97	-2.19	-75.14
CC1C[NH+](CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923630	1	52	0.0	-72.91	423.32	1.52	-71.39
CC[N@H+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923662	0	51	0.0	-72.41	409.84	1.06	-71.35
CC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923662	1	51	0.0	-72.51	409.84	1.06	-71.45
CC(CCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024923715	0	57	0.0	-72.95	449.39	2.11	-70.84
CC[N@H+](CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024923720	0	55	0.0	-69.38	440.70	2.44	-66.94
CC[N@@H+](CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024923720	1	55	0.0	-70.18	438.49	2.41	-67.77
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024923733	0	53	0.0	-73.41	422.73	1.65	-71.76
C[N@H+]1CC2CC1(C(=O)N[C@H]1CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300024923733	1	53	0.0	-76.58	424.38	1.59	-74.99
CC(C[NH+](C)C)C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923742	0	54	0.0	-67.93	430.30	1.77	-66.16
C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024923748	0	52	0.0	-74.03	420.72	1.75	-72.28
C[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024923758	0	51	0.0	-71.81	410.24	0.82	-70.99
CC[N@@H+]1CCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923761	1	52	0.0	-71.81	415.93	1.26	-70.55
CC[N@H+]1CCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923761	1	52	0.0	-72.03	423.77	1.36	-70.67
NC1=CC=[NH+]C=C1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923772	0	48	0.0	-74.74	400.60	-1.12	-75.86
CCCC(C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024923776	0	57	0.0	-71.59	444.01	2.17	-69.42
C[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923779	0	54	0.0	-75.11	419.57	1.56	-73.55
CC(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923788	0	57	0.0	-74.59	452.15	2.27	-72.32
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CC[C@H](NC(=O)C[NH+]2CC3CC3C2)CC1	REAL300024923847	0	53	0.0	-72.97	426.66	2.22	-70.75
C[N@@H+]1CCCCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923855	0	55	0.0	-70.01	424.76	1.82	-68.19
C[N@H+]1CCCCC1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923855	1	55	0.0	-68.78	434.08	1.99	-66.79
C[N@@H+]1CCC(=CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923880	0	53	0.0	-76.56	430.01	1.99	-74.57
C[N@H+]1CCC(=CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923880	1	53	0.0	-76.57	430.96	1.94	-74.63
[N-]=[N+]=NCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NC(=O)NN2)CC1	REAL300024923887	0	42	0.0	-24.70	369.07	-4.01	-28.71
CCC1C[NH+](CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923903	1	55	0.0	-73.82	444.42	2.22	-71.60
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923908	0	52	0.0	-69.99	418.05	1.41	-68.58
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024923908	1	52	0.0	-71.15	412.14	0.96	-70.19
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923948	0	55	0.0	-72.72	441.65	2.12	-70.60
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CC[C@H](NC(=O)C[NH+]2CCCCC2)CC1	REAL300024923989	0	55	0.0	-72.41	433.84	2.27	-70.14
C[N@@H+]1CCCC(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923990	0	55	0.0	-73.74	436.68	2.00	-71.74
C[N@H+]1CCCC(C(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024923990	1	55	0.0	-66.56	430.42	2.23	-64.33
CN1C=C[N+](CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024923991	0	50	0.0	-71.04	423.33	3.90	-67.14
C[N@H+](CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024924001	0	52	0.0	-70.03	421.37	1.82	-68.21
C[N@@H+](CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300024924001	1	52	0.0	-70.41	421.52	1.80	-68.61
CC(CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300024924009	0	57	0.0	-73.77	449.30	2.40	-71.37
C[NH+]1CC(CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024924058	0	52	0.0	-72.88	423.53	1.22	-71.66
C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024924065	0	48	0.0	-72.27	392.10	0.39	-71.88
C[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024924073	0	51	0.0	-70.72	410.22	0.81	-69.91
CC(C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300024924087	1	55	0.0	-70.59	439.66	2.11	-68.48
CC1CC[N@@H+]1CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024924088	1	52	0.0	-71.17	423.42	1.50	-69.67
CC1CC[N@H+]1CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024924088	1	52	0.0	-71.88	423.43	1.47	-70.41
C[NH+](C)CC=CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024924090	0	52	0.0	-77.67	428.06	1.62	-76.05
CC1(C)C[NH+](CC(=O)N[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024924094	1	55	0.0	-72.95	442.48	1.96	-70.99
CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024924107	0	54	0.0	-71.21	423.70	1.47	-69.74
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CC[C@H](NC(=O)C[NH+]2CCC2)CC1	REAL300024924112	1	49	0.0	-72.92	402.40	0.87	-72.05
CC[NH+](CC)CCC(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024924130	0	57	0.0	-73.50	450.05	2.29	-71.21
CC(C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300024924158	1	52	0.0	-71.73	422.11	1.31	-70.42
C[NH+](C)CC(C)(C)C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024924162	0	57	0.0	-73.37	439.31	2.06	-71.31
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024924182	0	55	0.0	-70.00	424.75	1.82	-68.18
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CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024926368	1	55	0.0	-71.14	428.35	2.77	-68.37
CC[N@@H+]1CCOC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024926373	1	53	0.0	-78.40	418.45	2.31	-76.09
CC[N@H+]1CCOC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024926373	1	53	0.0	-72.63	410.70	2.14	-70.49
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926418	0	55	0.0	-64.88	426.14	3.61	-61.27
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1	REAL300024926420	0	55	0.0	-73.59	440.19	3.34	-70.25
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1	REAL300024926423	0	55	0.0	-73.55	435.35	3.27	-70.28
CC[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926426	0	55	0.0	-68.79	418.40	2.60	-66.19
CC[N@H+]1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926426	1	55	0.0	-67.72	429.96	3.03	-64.69
C[NH+](C)C1(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024926436	0	52	0.0	-70.46	397.68	2.17	-68.29
CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024926442	0	54	0.0	-69.33	413.72	2.48	-66.85
C[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024926460	0	52	0.0	-70.10	417.56	2.78	-67.32
C[N@@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024926460	1	52	0.0	-69.80	417.43	2.78	-67.02
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926514	1	51	0.0	-67.60	417.25	2.49	-65.11
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926514	1	51	0.0	-63.74	419.40	3.67	-60.07
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926519	0	55	0.0	-72.65	432.72	2.85	-69.80
C[N@H+]1CCCC1CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926519	1	55	0.0	-77.76	435.14	3.17	-74.59
C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024926535	0	52	0.0	-77.86	411.20	2.16	-75.70
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926562	0	52	0.0	-70.28	400.44	1.91	-68.37
C[N@H+]1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926562	1	52	0.0	-64.10	399.44	2.82	-61.28
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CC1=C[NH+]=CN1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926627	1	47	0.0	-69.85	401.32	3.13	-66.72
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C[N@@H+]1CCC(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024926648	0	52	0.0	-75.34	418.43	2.36	-72.98
C[N@H+]1CCC(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024926648	1	52	0.0	-76.63	417.90	2.43	-74.20
CCC(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024926654	0	51	0.0	-68.61	396.11	1.65	-66.96
C[NH+](C)CCCCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926701	0	54	0.0	-76.12	436.68	2.96	-73.16
CC(C)C(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024926712	0	54	0.0	-67.62	410.71	3.32	-64.30
CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926713	0	54	0.0	-74.70	433.22	2.76	-71.94
CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926713	1	54	0.0	-74.46	433.38	2.81	-71.65
CCC[N@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926716	0	51	0.0	-71.49	410.84	2.18	-69.31
CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926716	1	51	0.0	-71.42	410.78	2.19	-69.23
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300024926729	0	53	0.0	-75.14	404.75	1.64	-73.50
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300024926729	1	53	0.0	-67.56	401.56	2.38	-65.18
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926751	0	49	0.0	-72.17	390.73	1.27	-70.90
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926751	1	49	0.0	-69.25	393.32	1.64	-67.61
CC[NH+](CC)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926778	0	51	0.0	-70.06	402.46	1.89	-68.17
CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024926831	0	55	0.0	-72.09	434.18	3.26	-68.83
C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024926849	0	52	0.0	-64.14	414.99	3.15	-60.99
C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024926895	0	52	0.0	-77.86	411.20	2.16	-75.70
CC(C)[C@H](C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024926910	0	54	0.0	-70.42	415.07	2.27	-68.15
CCC(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024926937	0	57	0.0	-65.32	433.63	2.93	-62.39
CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926967	0	51	0.0	-73.99	411.72	2.02	-71.97
CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926967	1	51	0.0	-74.02	411.72	2.04	-71.98
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926990	0	52	0.0	-69.43	416.50	2.57	-66.86
CC1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024926990	1	52	0.0	-68.64	416.56	2.44	-66.20
CC1CC[N@H+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024926991	0	52	0.0	-70.57	417.58	2.46	-68.11
CC1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024926991	1	52	0.0	-71.02	416.72	2.52	-68.50
CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024926993	0	55	0.0	-71.04	436.79	3.03	-68.01
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024926993	1	55	0.0	-71.12	436.20	3.05	-68.07
C[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024926994	0	57	0.0	-71.68	439.10	3.27	-68.41
C[N@@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024926994	1	57	0.0	-71.03	441.69	3.38	-67.65
CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024927001	0	51	0.0	-69.82	401.49	1.86	-67.96
C[NH+](C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927073	0	45	0.0	-71.89	371.63	0.79	-71.10
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[NH+]1CCCCCC1	REAL300024927076	0	55	0.0	-70.89	422.68	2.85	-68.04
CN1C=C[N+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024927079	0	47	0.0	-68.91	402.58	4.32	-64.59
C[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927083	0	52	0.0	-58.08	402.58	3.23	-54.85
C[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927083	1	52	0.0	-65.59	409.34	2.96	-62.63
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300024927088	0	53	0.0	-69.28	422.87	2.74	-66.54
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300024927088	1	53	0.0	-70.97	420.76	2.59	-68.38
CC(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024927100	0	49	0.0	-63.14	394.97	2.33	-60.81
CCC(CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024927104	0	57	0.0	-74.77	443.53	3.57	-71.20
C[NH+](C)CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927109	0	54	0.0	-66.05	410.65	2.89	-63.16
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[NH+]1CCC(O)CC1	REAL300024927120	0	53	0.0	-76.49	425.23	-0.68	-77.17
C[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024927121	0	49	0.0	-68.93	400.58	2.24	-66.69
C[N@@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024927121	1	49	0.0	-68.86	400.96	2.20	-66.66
C[NH+]1CC(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927135	0	49	0.0	-74.54	402.42	1.58	-72.96
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927145	0	55	0.0	-69.49	432.07	2.43	-67.06
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927145	1	55	0.0	-68.40	432.72	2.50	-65.90
C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024927155	0	48	0.0	-62.67	383.07	1.83	-60.84
[N-]=[N+]=NCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NC(=O)NN1	REAL300024927162	0	39	0.0	-25.18	348.26	-3.58	-28.76
[NH2+]=C1SC=CN1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927204	0	45	0.0	-68.49	398.43	0.99	-67.50
C[N@H+](CCO)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927209	0	52	0.0	-74.10	422.08	-1.18	-75.28
C[N@@H+](CCO)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927209	1	52	0.0	-72.66	422.20	-1.20	-73.86
C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024927210	0	48	0.0	-62.67	383.07	1.83	-60.84
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927213	0	52	0.0	-70.24	400.38	1.93	-68.31
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927213	1	52	0.0	-69.11	412.41	2.38	-66.73
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[NH+]1CCC1	REAL300024927258	1	46	0.0	-71.79	381.92	1.26	-70.53
C[N@@H+]1CCC(=CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927272	0	50	0.0	-76.30	409.01	2.34	-73.96
C[N@H+]1CCC(=CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927272	1	50	0.0	-76.57	409.76	2.34	-74.23
C[NH+](C)CCOCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927292	0	52	0.0	-73.39	427.03	1.87	-71.52
C=CCC(C)(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024927303	0	55	0.0	-74.59	411.05	3.71	-70.88
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927320	0	53	0.0	-76.07	403.24	-0.97	-77.04
CC1CN(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927337	0	49	0.0	-72.06	402.41	1.90	-70.16
CC1C[NH+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927337	1	49	0.0	-72.06	402.41	1.90	-70.16
CN(CCO)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927354	0	49	0.0	-71.89	399.64	-1.78	-73.67
C[N@H+](CCO)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927354	1	49	0.0	-72.50	399.62	-1.75	-74.25
C[N@@H+](CCO)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927354	1	49	0.0	-72.50	399.62	-1.75	-74.25
CC[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927373	0	55	0.0	-64.77	422.69	2.94	-61.83
CC[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927373	1	55	0.0	-64.77	422.69	2.94	-61.83
CC(CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024927375	0	54	0.0	-74.35	428.64	2.83	-71.52
CC[N@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927378	0	48	0.0	-71.16	389.29	1.45	-69.71
CC[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024927402	0	52	0.0	-63.55	412.43	3.55	-60.00
CC[NH+](CC)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927410	0	54	0.0	-73.95	424.95	2.52	-71.43
CC1(C)CN(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927424	0	52	0.0	-71.93	422.24	2.41	-69.52
CC1(C)C[NH+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927424	1	52	0.0	-71.93	422.24	2.41	-69.52
CC1(O)CC[N@H+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927440	0	53	0.0	-72.12	427.87	-0.77	-72.89
C[NH+](C)CC=CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927443	0	49	0.0	-76.98	408.16	2.02	-74.96
COCCN(C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927456	0	52	0.0	-72.77	421.63	0.66	-72.11
COCC[N@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927456	1	52	0.0	-72.08	421.89	0.62	-71.46
COCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927456	1	52	0.0	-72.08	421.89	0.62	-71.46
C[NH+](C)C1(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024927473	0	55	0.0	-73.26	406.10	3.20	-70.06
CC(CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024927475	0	54	0.0	-73.10	428.16	2.57	-70.53
CCN1CCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927481	0	49	0.0	-71.63	402.29	1.71	-69.92
CC[N@@H+]1CCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927481	1	49	0.0	-71.61	402.63	1.82	-69.79
CC[N@H+]1CCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927481	1	49	0.0	-71.61	402.63	1.82	-69.79
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[N@H+]1CCCC1CO	REAL300024927491	0	53	0.0	-71.11	426.21	-0.64	-71.75
C[NH+]1CCC(C)(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024927507	0	55	0.0	-68.58	414.47	3.20	-65.38
C=CCC(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024927523	0	52	0.0	-72.33	417.33	2.37	-69.96
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927530	0	55	0.0	-67.64	430.66	2.44	-65.20
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927530	1	55	0.0	-67.64	430.66	2.44	-65.20
C[NH+](C)CCCCCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927532	0	57	0.0	-75.34	458.24	3.79	-71.55
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300024927537	0	50	0.0	-71.78	407.08	2.66	-69.12
CCCC(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024927549	0	54	0.0	-67.80	421.20	2.47	-65.33
C[NH+](C)C(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927552	0	51	0.0	-71.96	385.92	2.49	-69.47
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927575	0	52	0.0	-64.10	399.44	2.82	-61.28
C[N@H+]1CC=C(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024927594	0	53	0.0	-68.84	430.76	3.12	-65.72
C[N@@H+]1CC=C(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024927594	1	53	0.0	-68.84	430.76	3.12	-65.72
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C=CC[NH+]1CCCC1	REAL300024927624	0	53	0.0	-76.25	432.44	3.21	-73.04
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CC[NH+]1CCCC1	REAL300024927651	0	52	0.0	-74.00	418.66	2.50	-71.50
C[N@@H+]1CC2CC1(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024927676	0	50	0.0	-70.00	392.07	2.80	-67.20
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300024927681	0	53	0.0	-68.12	415.88	2.68	-65.44
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300024927681	1	53	0.0	-68.12	415.88	2.68	-65.44
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CN1CC2C=CC1C2	REAL300024927716	0	51	0.0	-68.48	410.19	2.67	-65.81
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024927716	1	51	0.0	-69.58	411.32	2.80	-66.78
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300024927716	1	51	0.0	-69.58	411.32	2.80	-66.78
CC(C[NH+](C)C)C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927746	0	51	0.0	-66.59	403.85	2.63	-63.96
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927785	0	55	0.0	-69.82	426.62	3.80	-66.02
C[N@H+]1CCCCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927785	1	55	0.0	-69.82	426.62	3.80	-66.02
CC1CCN1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927796	0	49	0.0	-69.86	397.09	1.62	-68.24
CC1CC[N@@H+]1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927796	1	49	0.0	-69.74	397.07	1.63	-68.11
CC1CC[N@H+]1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927796	1	49	0.0	-69.74	397.07	1.63	-68.11
C[NH+](C)CC(O)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927798	0	52	0.0	-77.85	424.03	-0.19	-78.04
CC1CN(C)CC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024927815	0	53	0.0	-82.49	414.43	2.05	-80.44
CC1C[N@H+](C)CC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024927815	1	53	0.0	-81.15	415.83	2.47	-78.68
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024927815	1	53	0.0	-81.15	415.83	2.47	-78.68
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024927853	0	52	0.0	-75.22	420.65	2.54	-72.68
CC(CC[NH+](C)C)C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024927857	0	54	0.0	-74.51	427.61	2.41	-72.10
CN1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024927872	0	54	0.0	-71.70	430.65	0.29	-71.41
C[NH+]1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024927872	1	54	0.0	-71.70	430.65	0.29	-71.41
C[N@@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928042	0	49	0.0	-70.27	397.65	1.92	-68.35
CN1CCOC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024928068	0	50	0.0	-87.86	408.75	1.33	-86.53
C[N@@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024928068	1	50	0.0	-84.60	408.72	1.33	-83.27
C[N@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024928068	1	50	0.0	-84.60	408.72	1.33	-83.27
O=C(CC[NH+]1CCOCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928216	1	53	0.0	-78.23	427.03	0.87	-77.36
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2	REAL300024928224	0	53	0.0	-43.63	386.98	4.02	-39.61
C[N@@H+]1CCC(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024928247	0	52	0.0	-76.97	417.77	2.43	-74.54
C[N@H+]1CCC(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024928247	1	52	0.0	-76.49	418.21	2.48	-74.01
CCC(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024928253	0	51	0.0	-70.49	404.44	2.02	-68.47
C[NH+](C)CCCCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928285	0	54	0.0	-78.27	436.92	2.98	-75.29
CC(C)C(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024928298	0	54	0.0	-69.70	415.39	2.40	-67.30
CCC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928299	0	54	0.0	-76.50	433.36	2.83	-73.67
CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928299	1	54	0.0	-76.85	433.16	2.80	-74.05
CCC[N@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928302	0	51	0.0	-73.03	410.52	2.30	-70.73
CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928302	1	51	0.0	-72.96	410.52	2.31	-70.65
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300024928315	0	53	0.0	-79.12	413.49	2.11	-77.01
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300024928315	1	53	0.0	-74.99	412.93	2.10	-72.89
CC1CC[NH+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024928340	0	55	0.0	-73.60	434.68	3.35	-70.25
C[NH+](C)CC1(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024928377	0	52	0.0	-49.40	413.90	3.67	-45.73
CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928394	0	51	0.0	-76.00	411.65	2.06	-73.94
CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928394	1	51	0.0	-76.12	411.66	2.06	-74.06
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1C[NH+]2CCC1CC2	REAL300024928406	0	53	0.0	-78.21	412.85	2.65	-75.56
C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024928444	0	52	0.0	-79.45	416.13	2.52	-76.93
CC(C)[C@H](C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024928459	0	54	0.0	-50.60	413.96	4.08	-46.52
C[NH+](C)C1(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024928522	0	52	0.0	-62.85	388.75	3.65	-59.20
CCC(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024928549	0	57	0.0	-66.31	436.22	3.22	-63.09
CC1CCC[N@@H+]1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928558	0	52	0.0	-69.51	410.51	2.26	-67.25
CC1CCC[N@H+]1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928558	1	52	0.0	-69.90	416.46	2.64	-67.26
CC(C)[N@@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928585	0	55	0.0	-72.25	424.06	3.19	-69.06
CC(C)[N@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928585	1	55	0.0	-68.61	430.11	2.99	-65.62
CC(C)[C@@H](C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024928592	0	54	0.0	-69.60	421.30	3.02	-66.58
CC1CC[N@H+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024928602	0	52	0.0	-72.03	417.47	2.60	-69.43
CC1CC[N@@H+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024928602	1	52	0.0	-72.16	417.33	2.60	-69.56
CC1(C)CC[N@H+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024928604	0	55	0.0	-72.69	437.22	3.07	-69.62
CC1(C)CC[N@@H+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024928604	1	55	0.0	-72.68	436.82	3.08	-69.60
C[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024928605	0	57	0.0	-73.96	438.76	3.37	-70.59
C[N@@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024928605	1	57	0.0	-72.50	441.76	3.49	-69.01
CC[C@@H](C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024928612	0	51	0.0	-68.79	402.09	1.88	-66.91
CC1=[NH+]C=CN1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928692	1	47	0.0	-70.70	400.97	2.45	-68.25
CC[N@@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024928735	1	53	0.0	-86.78	426.73	1.94	-84.84
CC[N@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024928735	1	53	0.0	-80.39	419.70	1.78	-78.61
CC1=C[NH+]=CN1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928755	1	47	0.0	-71.90	401.05	3.23	-68.67
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024928760	0	52	0.0	-77.28	407.85	1.85	-75.43
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024928760	1	52	0.0	-74.18	413.56	2.56	-71.62
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024928762	0	55	0.0	-75.52	428.38	2.52	-73.00
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024928762	1	55	0.0	-74.18	433.68	2.87	-71.31
CC1CCC(C)[NH+]1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928767	0	55	0.0	-71.65	419.05	2.47	-69.18
O=C(CCC[NH+]1CCCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928769	0	55	0.0	-75.51	439.77	3.27	-72.24
O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928773	0	55	0.0	-74.94	435.77	3.29	-71.65
CC[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928776	0	55	0.0	-67.52	431.58	3.07	-64.45
CC[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928776	1	55	0.0	-68.80	421.69	2.97	-65.83
C[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024928856	0	52	0.0	-70.90	417.39	2.88	-68.02
C[N@@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024928856	1	52	0.0	-71.07	417.79	2.84	-68.23
C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024928880	0	52	0.0	-79.45	416.13	2.52	-76.93
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928902	0	49	0.0	-74.08	391.35	1.43	-72.65
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928902	1	49	0.0	-70.28	396.36	1.95	-68.33
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928919	1	51	0.0	-69.35	418.38	2.63	-66.72
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928919	1	51	0.0	-70.30	423.89	3.16	-67.14
C[N@@H+]1CCCC1CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928924	0	55	0.0	-77.87	439.00	3.34	-74.53
C[N@H+]1CCCC1CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928924	1	55	0.0	-79.45	435.11	3.20	-76.25
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928987	0	52	0.0	-71.52	403.90	2.32	-69.20
C[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024928987	1	52	0.0	-70.00	404.00	2.32	-67.68
CC1C(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024929036	0	52	0.0	-75.99	413.65	2.22	-73.77
CC1C(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024929036	1	52	0.0	-73.99	412.53	2.06	-71.93
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929086	0	55	0.0	-70.79	432.78	2.61	-68.18
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929086	1	55	0.0	-69.64	432.63	2.57	-67.07
C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024929099	0	48	0.0	-70.51	389.02	1.32	-69.19
C=CCC(C)(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024929111	0	55	0.0	-81.08	423.24	3.09	-77.99
O=C(CC[NH+]1CCCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929123	0	52	0.0	-75.69	418.87	2.50	-73.19
C[N@H+](CCO)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929131	1	49	0.0	-73.42	399.38	-1.68	-75.10
C[N@@H+](CCO)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929131	1	49	0.0	-74.30	399.44	-1.74	-76.04
C[N@H+]1CC=C(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024929177	0	53	0.0	-73.02	430.74	3.14	-69.88
C[N@@H+]1CC=C(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024929177	1	53	0.0	-70.84	430.74	3.14	-67.70
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929195	0	53	0.0	-80.71	420.57	-0.98	-81.69
C[N@H+]1CC(O)CC1(C)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929195	1	53	0.0	-58.40	406.55	-0.24	-58.64
CC1C[NH+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024929221	1	49	0.0	-73.57	401.41	2.02	-71.55
CC[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024929227	0	55	0.0	-67.02	427.33	3.36	-63.66
CC[N@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024929227	1	55	0.0	-65.57	427.29	3.35	-62.22
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300024929238	0	53	0.0	-68.28	428.75	3.39	-64.89
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300024929238	1	53	0.0	-67.95	423.83	3.23	-64.72
O=C(C=CC[NH+]1CCCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929259	0	53	0.0	-77.71	432.61	3.15	-74.56
CC[N@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929296	0	48	0.0	-72.74	389.02	1.56	-71.18
O=C(CN1CC2C=CC1C2)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929325	0	51	0.0	-71.33	410.97	2.79	-68.54
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929325	1	51	0.0	-68.59	410.32	2.73	-65.86
O=C(C[N@H+]1CC2C=CC1C2)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929325	1	51	0.0	-68.59	410.32	2.73	-65.86
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1C[NH+]2CCN1CC2	REAL300024929369	0	52	0.0	-84.21	407.62	-0.65	-84.86
COCCN(C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929400	0	52	0.0	-74.19	421.70	0.67	-73.52
COCC[N@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929400	1	52	0.0	-73.62	421.63	0.73	-72.89
COCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929400	1	52	0.0	-73.62	421.63	0.73	-72.89
CC(CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024929403	0	54	0.0	-78.60	425.32	2.60	-76.00
CC[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024929416	0	52	0.0	-70.28	416.96	2.90	-67.38
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024929441	0	50	0.0	-49.30	381.66	3.35	-45.95
O=C(C[N@@H+]1CC2CCC1C2)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929448	0	53	0.0	-69.45	415.23	2.75	-66.70
O=C(C[N@H+]1CC2CCC1C2)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929448	1	53	0.0	-69.45	415.23	2.75	-66.70
CC(C[NH+](C)C)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929461	0	51	0.0	-75.75	410.05	2.14	-73.61
CCN1CCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929489	0	49	0.0	-71.03	396.17	1.61	-69.42
CC[N@@H+]1CCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929489	1	49	0.0	-69.37	396.04	1.41	-67.96
CC[N@H+]1CCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929489	1	49	0.0	-69.37	396.04	1.41	-67.96
CCC(C)(C)[NH2+]C(C)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929495	0	57	0.0	-69.17	436.60	1.47	-67.70
CCCC(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024929525	0	54	0.0	-73.57	426.29	2.82	-70.75
C[NH+](C)C(C)(C)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929529	0	51	0.0	-54.32	389.37	2.87	-51.45
CC(CC[NH+](C)C)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929542	0	54	0.0	-75.86	431.65	2.70	-73.16
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929590	0	55	0.0	-69.74	431.65	2.51	-67.23
C[NH+](C)CCCCCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929592	0	57	0.0	-77.61	458.42	3.76	-73.85
CN1CCN(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024929599	0	54	0.0	-73.78	430.31	0.40	-73.38
C[NH+]1CCN(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024929599	1	54	0.0	-73.78	430.31	0.40	-73.38
CC1CN(C)CC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024929640	0	53	0.0	-90.19	422.95	1.60	-88.59
CC1C[N@H+](C)CC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024929640	1	53	0.0	-86.16	423.09	1.62	-84.54
CC1C[N@@H+](C)CC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024929640	1	53	0.0	-86.16	423.09	1.62	-84.54
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929684	0	52	0.0	-70.00	404.00	2.32	-67.68
C[N@@H+]1CCC(=CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024929742	0	50	0.0	-78.61	409.44	2.40	-76.21
C[N@H+]1CCC(=CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024929742	1	50	0.0	-78.61	409.44	2.40	-76.21
O=C(CNC1=CC=[NH+]C=C1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929744	0	48	0.0	-75.21	407.28	0.11	-75.10
C[NH+](C)C1(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024929794	0	55	0.0	-49.43	407.15	3.94	-45.49
CCC1CN(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024929801	0	52	0.0	-74.54	423.96	2.68	-71.86
CCC1C[NH+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024929801	1	52	0.0	-74.54	423.96	2.68	-71.86
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929810	0	49	0.0	-70.63	391.26	1.44	-69.19
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024929888	0	52	0.0	-73.59	420.89	2.60	-70.99
C[NH+](C)CCC1(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024929896	0	55	0.0	-65.09	436.06	4.99	-60.10
C[N@@H+]1CC=CCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929897	0	53	0.0	-67.78	417.53	2.87	-64.91
C[N@H+]1CC=CCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929897	1	53	0.0	-67.78	417.53	2.87	-64.91
C[NH+](C)CCOCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929925	0	52	0.0	-75.45	427.34	1.93	-73.52
[NH2+]=C1SC=CN1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024929949	0	45	0.0	-68.39	398.37	1.05	-67.34
O=C(C[NH+]1CCCCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930004	0	52	0.0	-72.53	413.03	2.73	-69.80
C[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024930005	0	52	0.0	-67.39	409.68	2.71	-64.68
C[N@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024930005	1	52	0.0	-65.90	409.96	2.68	-63.22
O=C(C[NH+]1CCCCCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930006	0	55	0.0	-72.25	422.71	2.91	-69.34
CN1C=C[N+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024930009	0	47	0.0	-70.75	402.79	4.35	-66.40
O=C(C[NH+]1CCC(O)CC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930028	1	53	0.0	-77.95	424.94	-0.61	-78.56
C[N@@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024930029	1	49	0.0	-70.43	400.78	2.31	-68.12
CCOCC(N=[N+]=[N-])C(=O)NC[C@H]1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300024930044	0	49	0.0	-24.88	423.57	-2.72	-27.60
CC(CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024930047	0	54	0.0	-76.77	428.74	2.84	-73.93
CN1CCOCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930064	0	53	0.0	-81.32	422.25	0.67	-80.65
C[N@@H+]1CCOCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930064	1	53	0.0	-67.21	414.75	0.49	-66.72
C[N@H+]1CCOCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930064	1	53	0.0	-81.32	422.25	0.67	-80.65
CC1(O)CC[N@@H+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024930125	1	53	0.0	-71.73	427.26	-0.71	-72.44
C[NH+]1CC(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024930146	0	49	0.0	-74.74	403.05	1.70	-73.04
C[NH+](C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930155	0	45	0.0	-73.48	371.30	0.89	-72.59
C[N@H+](CCO)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930169	0	52	0.0	-76.17	422.01	-1.15	-77.32
C[N@@H+](CCO)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930169	1	52	0.0	-74.85	422.03	-1.12	-75.97
C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024930170	0	48	0.0	-70.51	389.02	1.32	-69.19
C[N@@H+]1CCCCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930184	0	55	0.0	-64.52	423.28	2.91	-61.61
C[N@H+]1CCCCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930184	1	55	0.0	-67.52	423.36	2.89	-64.63
CC(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024930194	1	52	0.0	-70.62	419.24	2.60	-68.02
CC1CC[N@@H+]1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930196	1	49	0.0	-72.37	403.12	1.95	-70.42
CC1CC[N@H+]1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930196	1	49	0.0	-71.19	397.41	1.66	-69.53
C[NH+](C)CC=CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930202	0	49	0.0	-78.90	407.59	2.04	-76.86
O=C(C[N@H+]1CCCC1CO)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930241	0	53	0.0	-68.94	417.06	-0.57	-69.51
O=C(C[N@@H+]1CCCC1CO)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930241	1	53	0.0	-69.98	417.17	-0.60	-70.58
CC[NH+](CC)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930243	0	51	0.0	-71.31	403.27	1.96	-69.35
O=C(C[NH+]1CCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930252	1	46	0.0	-73.76	381.48	1.32	-72.44
CC[NH+](CC)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930280	0	54	0.0	-75.42	425.29	2.50	-72.92
CC(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024930330	1	49	0.0	-72.20	401.37	1.87	-70.33
CCC(CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024930335	0	57	0.0	-69.25	446.12	3.52	-65.73
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930340	0	54	0.0	-74.36	419.90	2.70	-71.66
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930369	0	52	0.0	-71.69	403.94	2.31	-69.38
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930369	1	52	0.0	-71.06	413.31	2.48	-68.58
C[NH+](C)CC(O)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024930388	0	52	0.0	-79.96	423.91	-0.06	-80.02
C=CCC(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024930408	0	52	0.0	-68.11	415.25	2.31	-65.80
C[NH+]1CCC(C)(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024930419	0	55	0.0	-75.66	428.60	2.97	-72.69
NC(=[NH2+])SCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024930440	0	43	0.0	-75.10	379.48	-2.21	-77.31
C[NH+](C)CCC1(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024930463	0	55	0.0	-71.93	440.30	3.92	-68.01
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024930464	0	53	0.0	-76.97	423.08	2.90	-74.07
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024930464	1	53	0.0	-66.45	417.84	2.80	-63.65
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024930550	0	49	0.0	-68.88	390.71	1.27	-67.61
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024930550	1	49	0.0	-68.88	390.71	1.27	-67.61
CC1C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024930572	0	52	0.0	-74.03	413.16	2.01	-72.02
CC1C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024930572	1	52	0.0	-74.03	413.16	2.01	-72.02
CN1CCOCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024930600	0	53	0.0	-79.98	422.55	0.65	-79.33
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024930600	1	53	0.0	-69.37	414.75	0.48	-68.89
C[N@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024930600	1	53	0.0	-69.37	414.75	0.48	-68.89
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@@H+]1C	REAL300024930812	0	48	0.0	-72.76	389.12	-0.14	-72.90
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CN(C)CCO1	REAL300024930836	0	49	0.0	-77.18	399.44	-0.39	-77.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@H+](C)CCO1	REAL300024930836	1	49	0.0	-85.31	406.53	-0.23	-85.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@@H+](C)CCO1	REAL300024930836	1	49	0.0	-85.31	406.53	-0.23	-85.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)[NH+]1CCCCCC1	REAL300024930991	0	57	0.0	-70.67	440.23	2.10	-68.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC[N@@H+]1C(C)C	REAL300024930993	0	57	0.0	-67.81	442.44	1.82	-65.99
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC[N@H+]1C(C)C	REAL300024930993	1	57	0.0	-67.81	442.44	1.82	-65.99
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@@H+]1C(C)C	REAL300024931011	0	54	0.0	-69.01	428.10	1.42	-67.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@H+]1C(C)C	REAL300024931011	1	54	0.0	-69.01	428.10	1.42	-67.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024931026	0	55	0.0	-76.23	436.63	2.01	-74.22
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024931026	1	55	0.0	-76.23	436.63	2.01	-74.22
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CN1C=CN=C1C(C)C	REAL300024931043	0	52	0.0	-69.12	434.80	2.05	-67.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CN1C=C[NH+]=C1C(C)C	REAL300024931043	1	52	0.0	-69.12	434.80	2.05	-67.07
CC1=NC=CN1CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931066	0	46	0.0	-70.45	398.57	0.93	-69.52
CC1=[NH+]C=CN1CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931066	1	46	0.0	-70.45	398.57	0.93	-69.52
CC(CNC(=O)CCC[NH+]1CCCCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931080	0	57	0.0	-75.06	454.19	2.52	-72.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)(C)[NH+]1CCCCC1	REAL300024931093	0	57	0.0	-73.39	438.52	2.29	-71.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[NH+]2CCC1CC2	REAL300024931101	0	52	0.0	-79.34	410.51	1.13	-78.21
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC2CCC[N@@H+]21	REAL300024931134	0	55	0.0	-69.81	425.79	1.90	-67.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC2CCC[N@H+]21	REAL300024931134	1	55	0.0	-69.81	425.79	1.90	-67.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024931144	0	51	0.0	-74.70	411.19	0.83	-73.87
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024931144	1	51	0.0	-74.70	411.19	0.83	-73.87
CC[C@@H]1[C@@H](C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024931148	0	54	0.0	-75.30	431.78	1.40	-73.90
CC[C@@H]1[C@@H](C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024931148	1	54	0.0	-75.30	431.78	1.40	-73.90
CC[N@@H+]1CCOC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024931157	1	52	0.0	-76.39	417.19	0.27	-76.12
CC[N@H+]1CCOC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024931157	1	52	0.0	-76.70	417.18	0.26	-76.44
CC[NH+](CC)CC(F)C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931194	0	53	0.0	-75.01	431.06	1.22	-73.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1C(C)CCC1C	REAL300024931250	0	54	0.0	-69.72	426.17	1.20	-68.52
CC(CNC(=O)CCC[NH+]1CCCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931254	0	54	0.0	-74.74	438.97	1.85	-72.89
C#CC[NH+]1CCC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024931258	0	53	0.0	-79.25	438.91	2.20	-77.05
CC(CNC(=O)CC[NH+]1CCCCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931259	0	54	0.0	-74.95	432.69	1.72	-73.23
CC[N@@H+]1CCCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931263	0	54	0.0	-69.28	428.94	1.55	-67.73
CC[N@H+]1CCCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931263	1	54	0.0	-69.91	419.49	1.40	-68.51
CC(C)C[N@@H+]1CCC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024931275	0	57	0.0	-74.01	454.22	2.31	-71.70
CC(C)C[N@H+]1CCC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024931275	1	57	0.0	-73.44	453.58	2.30	-71.14
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1([NH+](C)C)CCC1	REAL300024931278	0	51	0.0	-78.44	399.99	0.87	-77.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1CCC[N@@H+]1C(C)C	REAL300024931280	0	57	0.0	-67.13	439.60	1.44	-65.69
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1CCC[N@H+]1C(C)C	REAL300024931280	1	57	0.0	-66.40	438.43	1.86	-64.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H](C(C)C)[NH+](C)C	REAL300024931290	0	53	0.0	-71.87	418.31	1.54	-70.33
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+](C)C1CCC1	REAL300024931325	0	51	0.0	-71.88	415.26	1.29	-70.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+](C)C1CCC1	REAL300024931325	1	51	0.0	-71.58	415.36	1.30	-70.28
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)[NH+]1C(C)CCC1C	REAL300024931366	0	57	0.0	-67.51	438.49	1.81	-65.70
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931416	1	50	0.0	-71.34	415.81	1.07	-70.27
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931416	1	50	0.0	-71.15	421.37	1.61	-69.54
CC(CNC(=O)CCC1CCC[N@@H+]1C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931421	0	54	0.0	-73.50	431.09	1.35	-72.15
CC(CNC(=O)CCC1CCC[N@H+]1C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931421	1	54	0.0	-77.25	436.53	1.82	-75.43
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CCC[NH+](CCC1)C2	REAL300024931428	0	55	0.0	-74.05	426.53	1.52	-72.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC2CCCC[N@@H+]21	REAL300024931431	0	55	0.0	-70.17	430.02	1.79	-68.38
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC2CCCC[N@H+]21	REAL300024931431	1	55	0.0	-68.49	436.99	2.26	-66.23
CC(CNC(=O)CCCC[NH+]1CCCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931445	0	57	0.0	-75.43	460.47	2.64	-72.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[NH+](C)CC1	REAL300024931454	0	51	0.0	-78.44	413.71	0.98	-77.46
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024931480	1	50	0.0	-81.09	428.27	0.35	-80.74
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC[N@@H+]1C	REAL300024931502	0	51	0.0	-71.22	401.80	0.75	-70.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC[N@H+]1C	REAL300024931502	1	51	0.0	-71.21	401.80	0.75	-70.46
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931519	0	57	0.0	-71.53	448.06	1.97	-69.56
CC(C)C[N@H+]1CCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931519	1	57	0.0	-71.82	443.09	2.61	-69.21
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024931600	0	46	0.0	-74.84	399.31	2.82	-72.02
CC1=[NH+]C=CN1CCCC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931606	1	52	0.0	-71.92	440.11	2.23	-69.69
CC(CNC(=O)CC[NH+]1CCOCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931610	1	52	0.0	-78.25	424.41	-0.68	-78.93
CC1=C[NH+]=CN1CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931632	1	46	0.0	-73.39	397.86	1.62	-71.77
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CCC[NH+]1CCC2	REAL300024931663	0	52	0.0	-75.37	413.80	1.30	-74.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC([NH+](C)C)C1	REAL300024931682	0	57	0.0	-68.55	441.45	1.98	-66.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1CC[N@H+](C)C1	REAL300024931684	0	51	0.0	-76.73	415.46	0.92	-75.81
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1CC[N@@H+](C)C1	REAL300024931684	1	51	0.0	-76.69	415.68	0.91	-75.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300024931694	0	50	0.0	-81.54	420.03	0.14	-81.40
CCC(C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024931698	0	50	0.0	-70.55	399.79	0.32	-70.23
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1([NH+](C)C)CCCC1	REAL300024931706	0	57	0.0	-76.77	432.97	1.75	-75.02
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024931736	1	46	0.0	-79.32	399.58	2.83	-76.49
CC(CNC(=O)CCCC[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931779	0	53	0.0	-76.66	434.51	1.46	-75.20
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C(C)C)[NH+](C)C	REAL300024931795	0	53	0.0	-71.24	414.55	1.50	-69.74
CCC[N@H+](C)CCC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931797	0	53	0.0	-76.29	430.74	1.27	-75.02
CCC[N@@H+](C)CCC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931797	1	53	0.0	-76.22	430.74	1.27	-74.95
CCC[N@H+](C)CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931802	0	50	0.0	-73.82	408.37	0.73	-73.09
CCC[N@@H+](C)CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931802	1	50	0.0	-73.80	408.37	0.72	-73.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CC[N@H+](C1)CCC2	REAL300024931822	0	52	0.0	-79.57	411.08	0.54	-79.03
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300024931822	1	52	0.0	-74.96	410.72	0.54	-74.42
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300024931852	0	48	0.0	-70.53	394.24	0.39	-70.14
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H]1CCC[N@H+]1C	REAL300024931852	1	48	0.0	-72.81	389.15	-0.14	-72.95
CC[NH+](CC)CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024931905	0	50	0.0	-71.92	405.24	0.68	-71.24
CCC[N@@H+]1CCCC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024931936	0	57	0.0	-73.62	452.91	2.35	-71.27
CCC[N@H+]1CCCC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024931936	1	57	0.0	-73.63	452.89	2.35	-71.28
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CCC(C)CC1	REAL300024931975	0	54	0.0	-74.23	432.10	1.81	-72.42
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1(C[NH+](C)C)CC1	REAL300024932007	0	51	0.0	-75.73	420.94	1.10	-74.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[NH+](C(C)C)CC1	REAL300024932066	0	57	0.0	-75.57	444.39	1.95	-73.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[NH+](C)CC1	REAL300024932081	0	51	0.0	-78.44	413.71	0.98	-77.46
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@@H](C(C)C)[NH+](C)C	REAL300024932099	0	53	0.0	-71.83	418.20	1.59	-70.24
CCC(C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024932129	0	56	0.0	-67.35	435.27	1.61	-65.74
CC[N@H+](C)CCC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932176	0	50	0.0	-75.48	409.24	0.54	-74.94
CC[N@@H+](C)CCC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932176	1	50	0.0	-75.49	409.24	0.54	-74.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+]1CCCC1C	REAL300024932222	0	51	0.0	-71.04	414.50	1.11	-69.93
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+]1CCCC1C	REAL300024932222	1	51	0.0	-71.00	414.08	1.00	-70.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+]1CCC(C)C1	REAL300024932224	0	51	0.0	-73.13	414.70	1.07	-72.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+]1CCC(C)C1	REAL300024932224	1	51	0.0	-73.15	414.71	1.06	-72.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024932228	0	54	0.0	-73.30	434.71	1.57	-71.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+]1CCC(C)(C)C1	REAL300024932228	1	54	0.0	-72.98	434.11	1.56	-71.42
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+](C)CC(C)(C)C	REAL300024932229	0	56	0.0	-73.59	438.92	1.87	-71.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+](C)CC(C)(C)C	REAL300024932229	1	56	0.0	-73.80	436.98	1.72	-72.08
CC[C@@H](C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024932237	0	50	0.0	-70.41	399.38	0.34	-70.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+](C)C	REAL300024932378	0	44	0.0	-74.12	369.14	-0.68	-74.80
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CCCCCC1	REAL300024932382	0	54	0.0	-73.06	420.22	1.38	-71.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N+]1=CN(C)C=C1	REAL300024932386	0	46	0.0	-71.64	400.37	2.83	-68.81
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@H+](C)C1	REAL300024932392	0	51	0.0	-67.47	407.45	1.15	-66.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@@H+](C)C1	REAL300024932392	1	51	0.0	-67.44	407.47	1.15	-66.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300024932397	0	52	0.0	-74.32	422.07	1.42	-72.90
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@H+]1C1CC1	REAL300024932397	1	52	0.0	-71.55	419.61	1.17	-70.38
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)[NH+]1CCC1	REAL300024932420	1	48	0.0	-72.12	399.14	0.25	-71.87
CCC(CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024932424	0	56	0.0	-76.19	440.65	1.79	-74.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)(C)C[NH+](C)C	REAL300024932431	0	53	0.0	-71.69	418.28	1.18	-70.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024932445	0	53	0.0	-72.88	426.09	1.93	-70.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024932445	1	53	0.0	-74.26	425.90	2.61	-71.65
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CCC(O)CC1	REAL300024932453	1	52	0.0	-78.25	421.95	-2.16	-80.41
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+](C)C1CC1	REAL300024932454	0	48	0.0	-71.34	398.55	0.73	-70.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+](C)C1CC1	REAL300024932454	1	48	0.0	-71.29	398.54	0.72	-70.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)N1CC[NH+](C)CC1	REAL300024932455	1	56	0.0	-73.82	442.40	-0.85	-74.67
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1C[NH+](C)C1	REAL300024932473	0	48	0.0	-74.87	400.58	0.14	-74.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@@H+]1C1CCCC1	REAL300024932477	0	55	0.0	-72.25	435.80	1.77	-70.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@H+]1C1CCCC1	REAL300024932477	1	55	0.0	-71.93	435.20	1.75	-70.18
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024932485	0	54	0.0	-70.13	430.69	1.05	-69.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300024932485	1	54	0.0	-70.39	431.16	1.07	-69.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H](C)[NH+](C)C	REAL300024932496	0	47	0.0	-72.12	387.04	-0.27	-72.39
CC(CNC(=O)CN=[N+]=[N-])CNC(=O)CSC1=NC(=O)NN1	REAL300024932503	0	38	0.0	-25.52	346.10	-5.09	-30.61
CCC1CCC[N@H+](CC(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024932527	0	57	0.0	-74.02	450.13	2.44	-71.58
CCC1CCC[N@@H+](CC(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024932527	1	57	0.0	-73.95	450.11	2.44	-71.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024932534	0	52	0.0	-84.81	435.98	0.49	-84.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CN1C=CSC1=[NH2+]	REAL300024932575	0	44	0.0	-70.14	396.21	-0.50	-70.64
CC(CNC(=O)CC[N@H+](C)CCO)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932585	0	51	0.0	-75.18	419.59	-2.69	-77.87
CC(CNC(=O)CC[N@@H+](C)CCO)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932585	1	51	0.0	-74.91	419.57	-2.71	-77.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H](C)[NH+](C)C	REAL300024932586	0	47	0.0	-72.12	387.04	-0.27	-72.39
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024932590	0	51	0.0	-70.23	411.08	0.91	-69.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H]1CCCC[N@H+]1C	REAL300024932590	1	51	0.0	-71.24	401.79	0.75	-70.49
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@@H+]2CCN1CC2C	REAL300024932598	0	54	0.0	-79.28	420.43	-1.78	-81.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@H+]2CCN1CC2C	REAL300024932598	1	54	0.0	-77.49	421.92	-1.68	-79.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CCC1	REAL300024932658	1	45	0.0	-73.96	379.24	-0.26	-74.22
CC(CNC(=O)C=C1CC[N@H+](C)C1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932681	0	49	0.0	-77.29	407.99	0.86	-76.43
CC(CNC(=O)C=C1CC[N@@H+](C)C1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932681	1	49	0.0	-77.39	407.03	0.88	-76.51
CC(CNC(=O)COCC[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932711	0	51	0.0	-74.00	425.01	0.38	-73.62
C=CCC(C)(C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024932730	0	54	0.0	-67.82	424.51	1.39	-66.43
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(O)CC[S+](C)C	REAL300024932734	0	50	0.0	-79.15	433.99	-1.01	-80.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024932759	0	52	0.0	-78.89	417.51	-2.58	-81.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CN(C)CC[N@H+](C)C1	REAL300024932768	0	56	0.0	-71.90	439.29	-0.50	-72.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024932768	1	56	0.0	-71.90	439.29	-0.50	-72.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CN1CC(C)C1	REAL300024932785	0	48	0.0	-73.91	400.41	0.41	-73.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CC(C)C1	REAL300024932785	1	48	0.0	-73.91	400.41	0.41	-73.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CN(C)CCO	REAL300024932807	0	48	0.0	-74.36	397.22	-3.25	-77.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+](C)CCO	REAL300024932807	1	48	0.0	-74.11	397.00	-3.25	-77.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+](C)CCO	REAL300024932807	1	48	0.0	-74.11	397.00	-3.25	-77.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024932826	0	54	0.0	-79.97	418.78	-0.90	-80.87
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@H+]2CCN1CCC2	REAL300024932826	1	54	0.0	-79.97	418.78	-0.90	-80.87
CC[N@@H+]1CCCC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024932831	0	54	0.0	-72.87	431.37	1.61	-71.26
CC[N@H+]1CCCC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024932831	1	54	0.0	-72.87	431.37	1.61	-71.26
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC(C)C[NH+](C)C	REAL300024932833	0	53	0.0	-78.65	426.28	1.30	-77.35
CC[N@H+](C)CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932840	0	47	0.0	-73.41	386.87	-0.02	-73.43
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CCC[N@@H+]1CCCC2	REAL300024932859	0	55	0.0	-67.77	423.49	1.90	-65.87
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CCC[N@H+]1CCCC2	REAL300024932859	1	55	0.0	-67.77	423.49	1.90	-65.87
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024932864	0	53	0.0	-72.78	415.74	1.83	-70.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CCC[N@H+]1CC=CC2	REAL300024932864	1	53	0.0	-72.78	415.74	1.83	-70.95
CC[N@H+](CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024932883	0	51	0.0	-70.86	415.51	1.34	-69.52
CC[NH+](CC)CCC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932895	0	53	0.0	-74.57	427.09	1.25	-73.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CN1CC(C)(C)C1	REAL300024932914	0	51	0.0	-73.90	419.98	0.99	-72.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CC(C)(C)C1	REAL300024932914	1	51	0.0	-73.90	419.98	0.99	-72.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024932936	0	52	0.0	-74.10	425.37	-2.28	-76.38
CC(CNC(=O)C=CC[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932943	0	48	0.0	-78.27	406.37	0.57	-77.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)OCC[NH+](C)C	REAL300024932960	0	54	0.0	-74.67	444.79	1.07	-73.60
CC(CNC(=O)CCOCC[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932967	0	54	0.0	-74.58	445.97	0.11	-74.47
COCCN(C)CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932968	0	51	0.0	-73.90	419.25	-0.85	-74.75
COCC[N@H+](C)CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932968	1	51	0.0	-74.67	419.48	-0.85	-75.52
COCC[N@@H+](C)CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932968	1	51	0.0	-74.67	419.48	-0.85	-75.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1([NH+](C)C)CCCC1	REAL300024932992	0	54	0.0	-78.82	420.27	1.53	-77.29
CC(CNC(=O)CCC(C)[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024932995	0	53	0.0	-73.93	426.49	1.07	-72.86
CCN1CCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024933001	0	48	0.0	-71.34	393.93	0.04	-71.30
CC[N@@H+]1CCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024933001	1	48	0.0	-72.84	400.77	0.34	-72.50
CC[N@H+]1CCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024933001	1	48	0.0	-72.84	400.77	0.34	-72.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300024933009	0	57	0.0	-66.52	441.76	2.32	-64.20
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@H+](C(C)C)C1	REAL300024933009	1	57	0.0	-66.52	441.76	2.32	-64.20
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+]1CCCC1CO	REAL300024933020	0	52	0.0	-72.71	423.98	-2.14	-74.85
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024933040	0	55	0.0	-76.23	436.63	2.01	-74.22
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024933040	1	55	0.0	-76.23	436.63	2.01	-74.22
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1(C)CC[NH+](C)CC1	REAL300024933046	0	54	0.0	-72.44	426.40	1.40	-71.04
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024933052	0	52	0.0	-78.89	435.52	0.58	-78.31
C=CCC(C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024933071	0	51	0.0	-70.14	412.81	0.80	-69.34
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024933080	0	54	0.0	-72.16	429.03	1.02	-71.14
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC(C)(C)C[N@H+]1C	REAL300024933080	1	54	0.0	-72.16	429.03	1.02	-71.14
CC(CNC(=O)CCCCC[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024933083	0	56	0.0	-75.94	456.01	2.24	-73.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300024933113	0	54	0.0	-72.96	412.52	-1.10	-74.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300024933113	1	54	0.0	-72.96	412.52	-1.10	-74.06
CCCC(C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024933114	0	53	0.0	-71.61	421.05	1.10	-70.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)(C)[NH+](C)C	REAL300024933118	0	50	0.0	-77.18	396.37	0.52	-76.66
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC[N@@H+]1C	REAL300024933151	0	51	0.0	-71.22	401.80	0.75	-70.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC[N@H+]1C	REAL300024933151	1	51	0.0	-71.21	401.80	0.75	-70.46
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1=CC[N@H+](C)CC1	REAL300024933182	0	52	0.0	-73.01	428.29	1.65	-71.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1=CC[N@@H+](C)CC1	REAL300024933182	1	52	0.0	-71.28	428.27	1.65	-69.63
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CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@H+](C)CC(C)O1	REAL300024933519	1	52	0.0	-85.65	427.70	0.50	-85.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@@H+](C)CC(C)O1	REAL300024933519	1	52	0.0	-84.24	421.01	0.48	-83.76
CCC[N@@H+]1CCCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024933528	0	57	0.0	-70.41	440.99	2.14	-68.27
CCC[N@H+]1CCCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024933528	1	57	0.0	-70.54	440.99	2.14	-68.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024933584	0	51	0.0	-74.74	418.71	1.04	-73.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)CC[NH+](C)C	REAL300024933591	0	53	0.0	-75.27	429.18	1.21	-74.06
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CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CN1CC[NH+](C)CC1	REAL300024933615	1	53	0.0	-74.45	428.54	-1.16	-75.61
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CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC[N@H+]1C(C)C	REAL300024934609	1	57	0.0	-67.81	442.44	1.82	-65.99
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CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@H+]1C(C)C	REAL300024934627	1	54	0.0	-69.01	428.10	1.42	-67.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1CCC[N@@H+]1C(C)C	REAL300024934633	0	57	0.0	-67.13	439.60	1.44	-65.69
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1CCC[N@H+]1C(C)C	REAL300024934633	1	57	0.0	-66.40	438.43	1.86	-64.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H](C(C)C)[NH+](C)C	REAL300024934643	0	53	0.0	-71.87	418.31	1.54	-70.33
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+]1CCC(C)C1	REAL300024934661	0	51	0.0	-73.13	414.70	1.07	-72.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+]1CCC(C)C1	REAL300024934661	1	51	0.0	-73.15	414.71	1.06	-72.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024934665	0	54	0.0	-73.30	434.71	1.57	-71.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+]1CCC(C)(C)C1	REAL300024934665	1	54	0.0	-72.98	434.11	1.56	-71.42
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+](C)CC(C)(C)C	REAL300024934666	0	56	0.0	-73.59	438.92	1.87	-71.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+](C)CC(C)(C)C	REAL300024934666	1	56	0.0	-73.80	436.98	1.72	-72.08
CC[C@@H](C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024934674	0	50	0.0	-70.41	399.38	0.34	-70.07
CC1=[NH+]C=CN1CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024934833	1	46	0.0	-70.45	398.57	0.93	-69.52
CC(CNC(=O)CCC[NH+]1CCCCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024934847	0	57	0.0	-75.06	454.19	2.52	-72.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024934859	1	50	0.0	-81.09	428.27	0.35	-80.74
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CN1C=C[NH+]=C1C(C)C	REAL300024934885	1	52	0.0	-69.12	434.80	2.05	-67.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC2CCC[N@@H+]21	REAL300024934911	0	55	0.0	-66.95	433.68	2.16	-64.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC2CCC[N@H+]21	REAL300024934911	1	55	0.0	-69.81	425.79	1.90	-67.91
CC[N@@H+]1CCOC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024934924	1	52	0.0	-76.39	417.19	0.27	-76.12
CC[N@H+]1CCOC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024934924	1	52	0.0	-76.70	417.18	0.26	-76.44
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024934962	0	46	0.0	-74.84	399.31	2.82	-72.02
CC1=C[NH+]=CN1CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024934966	1	46	0.0	-73.39	397.86	1.62	-71.77
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024934975	0	51	0.0	-75.40	406.70	0.54	-74.86
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024934975	1	51	0.0	-74.70	411.19	0.83	-73.87
CC[C@@H]1[C@@H](C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024934979	0	54	0.0	-75.13	426.57	1.00	-74.13
CC[C@@H]1[C@@H](C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024934979	1	54	0.0	-75.30	431.78	1.40	-73.90
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1C(C)CCC1C	REAL300024934989	0	54	0.0	-69.72	426.17	1.20	-68.52
CC(CNC(=O)CCC[NH+]1CCCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024934993	0	54	0.0	-74.74	438.97	1.85	-72.89
C#CC[NH+]1CCC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024934998	0	53	0.0	-79.25	438.91	2.20	-77.05
CC(CNC(=O)CC[NH+]1CCCCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024934999	0	54	0.0	-74.95	432.69	1.72	-73.23
CC[N@@H+]1CCCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935004	0	54	0.0	-69.28	428.94	1.55	-67.73
CC[N@H+]1CCCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935004	1	54	0.0	-69.91	419.49	1.40	-68.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1([NH+](C)C)CCCC1	REAL300024935036	0	57	0.0	-76.77	432.97	1.75	-75.02
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+](C)C1CCC1	REAL300024935147	0	51	0.0	-71.88	415.26	1.29	-70.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+](C)C1CCC1	REAL300024935147	1	51	0.0	-71.58	415.36	1.30	-70.28
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)[NH+]1C(C)CCC1C	REAL300024935164	0	57	0.0	-67.51	438.49	1.81	-65.70
CC(CNC(=O)CCCC[NH+]1CCCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935175	0	57	0.0	-75.43	460.47	2.64	-72.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[NH+](C)CC1	REAL300024935184	0	51	0.0	-78.44	413.71	0.98	-77.46
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300024935218	0	48	0.0	-70.53	394.24	0.39	-70.14
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H]1CCC[N@H+]1C	REAL300024935218	1	48	0.0	-72.81	389.15	-0.14	-72.95
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935237	1	50	0.0	-71.34	415.81	1.07	-70.27
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935237	1	50	0.0	-71.15	421.37	1.61	-69.54
CC(CNC(=O)CCC1CCC[N@@H+]1C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935242	0	54	0.0	-73.50	431.09	1.35	-72.15
CC(CNC(=O)CCC1CCC[N@H+]1C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935242	1	54	0.0	-77.25	436.53	1.82	-75.43
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CCC[NH+](CCC1)C2	REAL300024935249	0	55	0.0	-74.05	426.53	1.52	-72.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC2CCCC[N@@H+]21	REAL300024935252	0	55	0.0	-70.17	430.02	1.79	-68.38
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC2CCCC[N@H+]21	REAL300024935252	1	55	0.0	-68.49	436.99	2.26	-66.23
CCC[N@@H+]1CCCC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024935311	0	57	0.0	-73.62	452.91	2.35	-71.27
CCC[N@H+]1CCCC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024935311	1	57	0.0	-73.63	452.89	2.35	-71.28
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC[N@@H+]1C	REAL300024935344	0	51	0.0	-71.22	401.80	0.75	-70.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC[N@H+]1C	REAL300024935344	1	51	0.0	-71.21	401.80	0.75	-70.46
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935362	0	57	0.0	-71.53	448.06	1.97	-69.56
CC(C)C[N@H+]1CCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935362	1	57	0.0	-71.82	443.09	2.61	-69.21
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@H+](C)C1C	REAL300024935413	0	51	0.0	-72.69	415.13	0.87	-71.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@@H+](C)C1C	REAL300024935413	1	51	0.0	-72.92	410.34	0.53	-72.39
CC(CNC(=O)CCC1CCCC[N@@H+]1C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935415	0	57	0.0	-73.24	450.17	2.23	-71.01
CC(CNC(=O)CCC1CCCC[N@H+]1C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935415	1	57	0.0	-73.01	450.50	2.25	-70.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024935492	0	54	0.0	-70.13	430.69	1.05	-69.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@H+]1C(C)(C)C	REAL300024935492	1	54	0.0	-70.39	431.16	1.07	-69.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H](C)[NH+](C)C	REAL300024935510	0	47	0.0	-72.12	387.04	-0.27	-72.39
C=CCC(C)(C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024935524	0	54	0.0	-67.82	424.51	1.39	-66.43
CC(CNC(=O)CC[NH+]1CCCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935544	0	51	0.0	-75.00	417.47	1.05	-73.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+](C)CCO	REAL300024935554	1	48	0.0	-74.36	397.22	-3.25	-77.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+](C)CCO	REAL300024935554	1	48	0.0	-74.11	397.00	-3.25	-77.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024935583	0	54	0.0	-83.39	416.01	-0.89	-84.28
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@H+]2CCN1CCC2	REAL300024935583	1	54	0.0	-79.97	418.78	-0.90	-80.87
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1=CC[N@H+](C)CC1	REAL300024935627	0	52	0.0	-73.01	428.29	1.65	-71.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1=CC[N@@H+](C)CC1	REAL300024935627	1	52	0.0	-71.28	428.27	1.65	-69.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(O)CC[S+](C)C	REAL300024935641	0	50	0.0	-79.15	433.99	-1.01	-80.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024935659	0	52	0.0	-79.69	415.57	-2.50	-82.19
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1(C)CC(O)C[N@H+]1C	REAL300024935659	1	52	0.0	-78.89	417.51	-2.58	-81.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CN(C)CC[N@H+](C)C1	REAL300024935668	0	56	0.0	-71.28	441.51	-0.51	-71.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024935668	1	56	0.0	-71.90	439.29	-0.50	-72.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CC(C)C1	REAL300024935696	1	48	0.0	-73.91	400.41	0.41	-73.50
CC[N@@H+]1CCCC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024935702	0	54	0.0	-72.89	431.39	1.61	-71.28
CC[N@H+]1CCCC(C(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024935702	1	54	0.0	-72.87	431.37	1.61	-71.26
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300024935717	0	52	0.0	-74.32	422.07	1.42	-72.90
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@H+]1C1CC1	REAL300024935717	1	52	0.0	-71.55	419.61	1.17	-70.38
CC(CNC(=O)C=CC[NH+]1CCCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935752	0	52	0.0	-77.03	429.70	1.60	-75.43
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[NH+](C2CC2)CC1	REAL300024935770	0	55	0.0	-76.02	438.59	2.20	-73.82
CC[N@H+](C)CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935807	0	47	0.0	-73.41	386.87	-0.02	-73.43
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CN1CC2C=CC1C2	REAL300024935850	0	50	0.0	-72.06	408.62	1.28	-70.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024935850	1	50	0.0	-72.07	408.48	1.29	-70.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+]1CC2C=CC1C2	REAL300024935850	1	50	0.0	-72.07	408.48	1.29	-70.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[NH+]2CCN1CC2	REAL300024935917	0	51	0.0	-80.84	405.41	-2.21	-83.05
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CCC[N@@H+]1CCCC2	REAL300024935950	0	55	0.0	-67.77	423.49	1.90	-65.87
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CCC[N@H+]1CCCC2	REAL300024935950	1	55	0.0	-67.77	423.49	1.90	-65.87
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024935956	0	53	0.0	-72.78	415.74	1.83	-70.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CCC[N@H+]1CC=CC2	REAL300024935956	1	53	0.0	-72.78	415.74	1.83	-70.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)OCC[NH+](C)C	REAL300024935965	0	54	0.0	-74.67	444.79	1.07	-73.60
CC(CNC(=O)CCOCC[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935973	0	54	0.0	-74.58	445.97	0.11	-74.47
COCCN(C)CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935975	0	51	0.0	-73.90	419.25	-0.85	-74.75
COCC[N@H+](C)CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935975	1	51	0.0	-74.67	419.48	-0.85	-75.52
COCC[N@@H+](C)CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935975	1	51	0.0	-74.67	419.48	-0.85	-75.52
CC(CNC(=O)CCC(C)[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024935980	0	53	0.0	-73.93	426.49	1.07	-72.86
CC[N@H+](CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024936000	0	51	0.0	-70.86	415.51	1.34	-69.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300024936013	0	54	0.0	-72.96	412.52	-1.10	-74.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300024936013	1	54	0.0	-72.96	412.52	-1.10	-74.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CC(C1)C[N@@H+]2C	REAL300024936033	0	49	0.0	-76.48	401.39	0.48	-76.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+]1CC2CCC1C2	REAL300024936046	0	52	0.0	-71.86	415.59	1.41	-70.45
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+]1CC2CCC1C2	REAL300024936046	1	52	0.0	-71.86	415.59	1.41	-70.45
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)C[NH+](C)C	REAL300024936065	0	50	0.0	-68.89	407.34	0.69	-68.20
CCN1CCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936107	0	48	0.0	-71.34	393.93	0.04	-71.30
CC[N@@H+]1CCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936107	1	48	0.0	-72.84	400.77	0.34	-72.50
CC[N@H+]1CCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936107	1	48	0.0	-72.84	400.77	0.34	-72.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300024936117	0	57	0.0	-66.52	441.76	2.32	-64.20
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@H+](C(C)C)C1	REAL300024936117	1	57	0.0	-66.52	441.76	2.32	-64.20
CCC(C)(C)[NH2+]C(C)C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936127	0	56	0.0	-72.28	434.57	-0.06	-72.34
C#CC[N@H+]1CCCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936164	1	53	0.0	-70.62	436.38	2.11	-68.51
C#CC[N@@H+]1CCCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936164	1	53	0.0	-70.94	427.01	1.95	-68.99
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1=C[NH+]=CC=C1N	REAL300024936166	0	44	0.0	-75.61	377.26	-2.19	-77.80
CCCC(C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024936175	0	53	0.0	-71.61	421.05	1.10	-70.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)(C)[NH+](C)C	REAL300024936182	0	50	0.0	-77.18	396.37	0.52	-76.66
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)CC[NH+](C)C	REAL300024936200	0	53	0.0	-75.27	429.18	1.21	-74.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024936252	0	53	0.0	-72.88	426.09	1.93	-70.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024936252	1	53	0.0	-74.26	425.90	2.61	-71.65
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024936279	0	54	0.0	-70.65	434.91	1.53	-69.12
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC(C)(C)C[N@H+]1C	REAL300024936279	1	54	0.0	-72.16	429.03	1.02	-71.14
CC(CNC(=O)CCCCC[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936282	0	56	0.0	-75.94	456.01	2.24	-73.70
CCC[N@@H+]1CCCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936288	0	57	0.0	-70.41	440.99	2.14	-68.27
CCC[N@H+]1CCCCC1C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936288	1	57	0.0	-70.54	440.99	2.14	-68.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CN1CC[NH+](C)CC1	REAL300024936297	1	53	0.0	-74.45	428.54	-1.16	-75.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@H+](C)CC(C)O1	REAL300024936373	1	52	0.0	-85.65	427.70	0.50	-85.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@@H+](C)CC(C)O1	REAL300024936373	1	52	0.0	-84.24	421.01	0.48	-83.76
CCC1CCC[N@H+](CC(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024936400	0	57	0.0	-74.02	450.13	2.44	-71.58
CCC1CCC[N@@H+](CC(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024936400	1	57	0.0	-73.95	450.11	2.44	-71.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024936408	0	52	0.0	-84.81	435.98	0.49	-84.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CC2CC2C1	REAL300024936420	0	49	0.0	-73.88	404.49	1.20	-72.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1([NH+]2CCCC2)CC1	REAL300024936431	0	55	0.0	-71.55	433.13	1.98	-69.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC[N@@H+]1C	REAL300024936462	0	51	0.0	-71.22	401.80	0.75	-70.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCCC[N@H+]1C	REAL300024936462	1	51	0.0	-71.21	401.80	0.75	-70.46
CC(CNC(=O)C=C1CC[N@H+](C)C1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936557	0	49	0.0	-77.29	407.99	0.86	-76.43
CC(CNC(=O)C=C1CC[N@@H+](C)C1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936557	1	49	0.0	-77.39	407.03	0.88	-76.51
CC(CNC(=O)CNC1=CC=[NH+]C=C1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936562	0	47	0.0	-73.90	404.86	-1.41	-75.31
CC(CNC(=O)CN=[N+]=[N-])CNC(=O)CSC1=NC(=O)NN1	REAL300024936602	0	38	0.0	-25.52	346.10	-5.09	-30.61
CC[NH+]1CCN(CC(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024936609	0	56	0.0	-73.04	445.90	-0.50	-73.54
CC(CNC(=O)C=C1C[NH+]2CCC1CC2)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936612	0	53	0.0	-69.82	425.28	1.71	-68.11
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1([NH+](C)C)CCCC1	REAL300024936642	0	54	0.0	-78.82	420.27	1.53	-77.29
CCC1C[NH+](CC(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024936652	1	51	0.0	-74.70	421.80	1.17	-73.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1([NH+]2CCCC2)CCC1	REAL300024936655	0	55	0.0	-74.64	429.16	2.02	-72.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024936666	0	48	0.0	-72.78	389.14	-0.14	-72.92
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300024936666	1	48	0.0	-70.66	394.96	0.34	-70.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024936787	0	51	0.0	-74.74	418.71	1.04	-73.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC([NH+](C)C)CC1	REAL300024936798	0	57	0.0	-78.74	447.96	2.14	-76.60
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1(CC[NH+](C)C)CC1	REAL300024936799	0	54	0.0	-76.82	444.88	1.86	-74.96
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024936800	0	57	0.0	-70.63	441.44	2.01	-68.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1CC=CC[N@@H+]1C	REAL300024936801	0	52	0.0	-77.25	420.36	1.37	-75.88
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1CC=CC[N@H+]1C	REAL300024936801	1	52	0.0	-77.25	420.36	1.37	-75.88
CC(CNC(=O)COCC[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936851	0	51	0.0	-74.00	425.01	0.38	-73.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CN1C=CSC1=[NH2+]	REAL300024936888	0	44	0.0	-70.14	396.21	-0.50	-70.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@@H](C)OCC[NH+](C)C	REAL300024936952	0	54	0.0	-72.28	444.80	1.07	-71.21
CC(CNC(=O)CC[NH+]1CCCCCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024936982	0	57	0.0	-76.89	443.17	1.94	-74.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CCCCC1	REAL300024936985	0	51	0.0	-73.37	411.25	1.21	-72.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@H+](C)C1	REAL300024936987	0	51	0.0	-67.47	407.45	1.15	-66.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC[N@@H+](C)C1	REAL300024936987	1	51	0.0	-67.44	407.47	1.15	-66.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CCCCCC1	REAL300024936988	0	54	0.0	-73.06	420.22	1.38	-71.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N+]1=CN(C)C=C1	REAL300024936993	0	46	0.0	-71.64	400.37	2.83	-68.81
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024937008	1	51	0.0	-81.12	433.72	1.12	-80.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CCC(O)CC1	REAL300024937023	1	52	0.0	-78.25	421.95	-2.16	-80.41
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+](C)C1CC1	REAL300024937027	1	48	0.0	-71.29	398.54	0.72	-70.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)N1CC[NH+](C)CC1	REAL300024937029	1	56	0.0	-73.82	442.40	-0.85	-74.67
CC(CNC(=O)CC[N@H+]1CCC(F)C1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937031	1	51	0.0	-77.53	423.74	1.13	-76.40
CCOCC(N=[N+]=[N-])C(=O)NCC(C)CNC(=O)CSC1=NC(=O)NN1	REAL300024937047	0	48	0.0	-25.12	422.32	-4.40	-29.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC(C)C[NH+](C)C	REAL300024937053	0	53	0.0	-78.65	426.28	1.30	-77.35
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@@H+]2CCOCC12	REAL300024937065	0	53	0.0	-77.76	428.07	-0.40	-78.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@H+]2CCOCC12	REAL300024937065	1	53	0.0	-71.33	424.25	-0.35	-71.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1COCCN1C	REAL300024937081	0	52	0.0	-70.28	412.27	-1.00	-71.28
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1COCC[N@@H+]1C	REAL300024937081	1	52	0.0	-70.32	412.28	-1.00	-71.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1COCC[N@H+]1C	REAL300024937081	1	52	0.0	-70.28	412.27	-1.00	-71.28
CC[NH+]1CCN(CC(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024937088	0	56	0.0	-73.04	445.90	-0.50	-73.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024937172	0	52	0.0	-74.25	425.68	-2.26	-76.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+]1CCC(C)(O)C1	REAL300024937172	1	52	0.0	-74.10	425.37	-2.28	-76.38
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1C[NH+](C)C1	REAL300024937202	0	48	0.0	-74.87	400.58	0.14	-74.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@@H+]1C1CCCC1	REAL300024937206	0	55	0.0	-72.25	435.80	1.77	-70.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@H+]1C1CCCC1	REAL300024937206	1	55	0.0	-71.93	435.20	1.75	-70.18
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+](C)C	REAL300024937214	0	44	0.0	-74.12	369.14	-0.68	-74.80
CC(CNC(=O)CC[N@H+](C)CCO)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937238	0	51	0.0	-75.18	419.59	-2.69	-77.87
CC(CNC(=O)CC[N@@H+](C)CCO)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937238	1	51	0.0	-74.91	419.57	-2.71	-77.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H](C)[NH+](C)C	REAL300024937239	0	47	0.0	-72.12	387.04	-0.27	-72.39
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1CCCC[N@@H+]1C	REAL300024937256	0	54	0.0	-76.44	428.39	1.50	-74.94
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1CCCC[N@H+]1C	REAL300024937256	1	54	0.0	-67.22	420.90	1.38	-65.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)[NH+]1CC(C)C1	REAL300024937273	1	51	0.0	-72.15	419.49	0.98	-71.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+]1CCC1C	REAL300024937275	1	48	0.0	-72.57	400.47	0.40	-72.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+]1CCC1C	REAL300024937275	1	48	0.0	-72.34	400.42	0.43	-71.91
CC(CNC(=O)C=CC[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937286	0	48	0.0	-78.27	406.37	0.57	-77.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CC(C)(C)C1	REAL300024937296	1	51	0.0	-73.90	419.98	0.99	-72.91
CC1=C(C)[NH+]=C(CCC(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024937309	1	52	0.0	-69.59	439.38	0.61	-68.98
CC(CNC(=O)CSCC[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937326	0	51	0.0	-79.79	436.03	1.25	-78.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@@H+]1CCCC1CO	REAL300024937348	0	52	0.0	-72.91	422.32	-2.07	-74.98
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[N@H+]1CCCC1CO	REAL300024937348	1	52	0.0	-72.71	423.98	-2.14	-74.85
CC[NH+](CC)CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937352	0	50	0.0	-71.92	405.24	0.68	-71.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CCC1	REAL300024937362	1	45	0.0	-73.96	379.24	-0.26	-74.22
CC[NH+](CC)CCC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937400	0	53	0.0	-74.57	427.09	1.25	-73.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024937454	0	52	0.0	-78.89	435.52	0.58	-78.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC2COCC[N@@H+]2C1	REAL300024937474	0	53	0.0	-75.78	427.82	-0.33	-76.11
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC2COCC[N@H+]2C1	REAL300024937474	1	53	0.0	-73.38	427.54	-0.31	-73.69
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)[NH+]1CCC1	REAL300024937484	1	48	0.0	-72.12	399.14	0.25	-71.87
CCC(CC(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024937489	0	56	0.0	-76.19	440.65	1.79	-74.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C(C)(C)C[NH+](C)C	REAL300024937497	0	53	0.0	-71.69	418.28	1.18	-70.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024937547	0	51	0.0	-70.23	411.08	0.91	-69.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H]1CCCC[N@H+]1C	REAL300024937547	1	51	0.0	-71.24	401.79	0.75	-70.49
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@@H+]2CCN1CC2C	REAL300024937559	0	54	0.0	-79.28	420.43	-1.78	-81.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1C[N@H+]2CCN1CC2C	REAL300024937559	1	54	0.0	-77.49	421.92	-1.68	-79.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC(O)C[NH+](C)C	REAL300024937579	0	51	0.0	-79.20	421.84	-1.68	-80.88
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC2CCC(C1)[NH+]2C	REAL300024937581	0	55	0.0	-72.56	412.08	1.86	-70.70
C=CCC(C(=O)NCC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024937609	0	51	0.0	-70.14	412.81	0.80	-69.34
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024937615	0	55	0.0	-75.06	436.66	2.07	-72.99
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024937615	1	55	0.0	-76.23	436.63	2.01	-74.22
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1(C)CC[NH+](C)CC1	REAL300024937626	0	54	0.0	-72.44	426.40	1.40	-71.04
CC(CNC(=O)CSC(N)=[NH2+])CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937651	0	42	0.0	-75.96	377.67	-3.81	-79.77
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CCC([NH+](C)C)CC1	REAL300024937687	0	57	0.0	-78.74	447.96	2.14	-76.60
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1(CC[NH+](C)C)CC1	REAL300024937688	0	54	0.0	-76.82	444.88	1.86	-74.96
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024937689	0	57	0.0	-70.63	441.44	2.01	-68.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1CC=CC[N@@H+]1C	REAL300024937690	0	52	0.0	-77.25	420.36	1.37	-75.88
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1CC=CC[N@H+]1C	REAL300024937690	1	52	0.0	-77.25	420.36	1.37	-75.88
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@@H](C)OCC[NH+](C)C	REAL300024937711	0	54	0.0	-72.28	444.80	1.07	-71.21
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC2CCC(C1)[NH+]2C	REAL300024937734	0	55	0.0	-72.56	412.08	1.86	-70.70
CCC1C[NH+](CC(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024937824	1	51	0.0	-74.70	421.80	1.17	-73.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1([NH+]2CCCC2)CCC1	REAL300024937826	0	55	0.0	-74.64	429.16	2.02	-72.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300024937833	1	48	0.0	-70.66	394.96	0.34	-70.32
CC(CNC(=O)CC[N@H+]1CCC(F)C1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937840	1	51	0.0	-77.53	423.74	1.13	-76.40
CC(CNC(=O)CC[NH+]1CCCCCC1)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937854	0	57	0.0	-76.89	443.17	1.94	-74.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C[NH+]1CCCCC1	REAL300024937856	0	51	0.0	-73.37	411.25	1.21	-72.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@H+](C)C1C	REAL300024937864	0	51	0.0	-72.69	415.13	0.87	-71.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@@H+](C)C1C	REAL300024937864	1	51	0.0	-72.92	410.34	0.53	-72.39
CC(CNC(=O)CCC1CCCC[N@@H+]1C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937866	0	57	0.0	-73.24	450.17	2.23	-71.01
CC(CNC(=O)CCC1CCCC[N@H+]1C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937866	1	57	0.0	-73.01	450.50	2.25	-70.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@@H+]2CCOCC12	REAL300024937887	0	53	0.0	-77.76	428.07	-0.40	-78.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC[N@H+]2CCOCC12	REAL300024937887	1	53	0.0	-71.33	424.25	-0.35	-71.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1COCCN1C	REAL300024937903	0	52	0.0	-70.28	412.27	-1.00	-71.28
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1COCC[N@@H+]1C	REAL300024937903	1	52	0.0	-70.32	412.28	-1.00	-71.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)CC1COCC[N@H+]1C	REAL300024937903	1	52	0.0	-70.28	412.27	-1.00	-71.28
CC1=C(C)[NH+]=C(CCC(=O)NCC(C)CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024937910	1	52	0.0	-69.59	439.38	0.61	-68.98
CCOCC(N=[N+]=[N-])C(=O)NCC(C)CNC(=O)CSC1=NC(=O)NN1	REAL300024937914	0	48	0.0	-25.12	422.32	-4.40	-29.52
CC(CNC(=O)CSCC[NH+](C)C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024937978	0	51	0.0	-79.79	436.03	1.25	-78.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC2COCC[N@@H+]2C1	REAL300024937984	0	53	0.0	-75.78	427.82	-0.33	-76.11
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CNC(=O)C1CC2COCC[N@H+]2C1	REAL300024937984	1	53	0.0	-73.38	427.54	-0.31	-73.69
C[N@H+]1CCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938139	1	50	0.0	-67.43	406.76	0.37	-67.06
CC1=[NH+]C=CN1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938290	1	48	0.0	-67.39	410.15	0.87	-66.52
C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC[N@@H+]1C	REAL300024938308	0	53	0.0	-72.40	417.92	0.54	-71.86
C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC[N@H+]1C	REAL300024938308	1	53	0.0	-70.82	422.88	0.72	-70.10
C[NH+](C)C1(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CCC1	REAL300024938325	0	53	0.0	-73.12	413.22	0.81	-72.31
C[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CCC1	REAL300024938335	0	53	0.0	-68.18	426.94	1.24	-66.94
C[N@@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CCC1	REAL300024938335	1	53	0.0	-68.47	426.54	1.30	-67.17
C[NH+]1CCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC1	REAL300024938356	0	53	0.0	-74.68	424.98	0.97	-73.71
C[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938362	0	53	0.0	-66.78	422.66	0.84	-65.94
C[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938362	1	53	0.0	-66.84	422.36	0.91	-65.93
CC1=C[NH+]=CN1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938379	1	48	0.0	-69.89	410.46	1.59	-68.30
C[N@@H+]1CCC(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024938388	0	53	0.0	-73.94	426.84	0.91	-73.03
C[N@H+]1CCC(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024938388	1	53	0.0	-73.01	426.58	0.94	-72.07
CCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300024938391	0	52	0.0	-68.00	411.44	0.20	-67.80
CCC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938407	0	52	0.0	-70.28	419.95	0.68	-69.60
CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938407	1	52	0.0	-70.27	419.95	0.68	-69.59
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938421	0	50	0.0	-69.45	400.72	-0.19	-69.64
C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938421	1	50	0.0	-67.09	406.59	0.31	-66.78
CC[NH+](CC)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938433	0	52	0.0	-68.50	412.31	0.34	-68.16
C[NH+](C)CC1(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC1	REAL300024938485	0	53	0.0	-73.36	429.79	1.08	-72.28
C[NH+]1CCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC1	REAL300024938506	0	53	0.0	-74.68	424.98	0.97	-73.71
CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938543	0	52	0.0	-72.14	420.79	0.46	-71.68
CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938543	1	52	0.0	-72.11	420.79	0.46	-71.65
CC1CCC[N@@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938551	0	53	0.0	-67.16	426.43	0.98	-66.18
CC1CCC[N@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938551	1	53	0.0	-67.54	425.58	1.09	-66.45
CC1CC[N@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024938552	0	53	0.0	-69.48	426.48	1.06	-68.42
CC1CC[N@@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024938552	1	53	0.0	-69.52	426.42	1.05	-68.47
CC[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300024938554	0	52	0.0	-67.40	411.12	0.26	-67.14
C[NH+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938585	0	46	0.0	-70.75	380.72	-0.74	-71.49
CN1C=C[N+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)=C1	REAL300024938586	0	48	0.0	-68.46	411.95	2.77	-65.69
C[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024938589	0	53	0.0	-71.43	425.28	0.88	-70.55
C[N@H+]1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024938589	1	53	0.0	-64.77	419.00	1.08	-63.69
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+]1CCC1	REAL300024938596	1	50	0.0	-67.97	408.60	0.37	-67.60
C[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CC1	REAL300024938604	0	50	0.0	-67.42	409.97	0.65	-66.77
C[N@@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CC1	REAL300024938604	1	50	0.0	-67.85	410.10	0.66	-67.19
C[NH+]1CC(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024938614	0	50	0.0	-72.10	411.87	0.15	-71.95
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300024938625	0	49	0.0	-68.86	398.51	-0.29	-69.15
[N-]=[N+]=NCC(=O)NCC1CN(C(=O)CSC2=NC(=O)NN2)CCO1	REAL300024938632	0	40	0.0	-23.73	357.39	-5.08	-28.81
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300024938663	0	49	0.0	-68.86	398.51	-0.29	-69.15
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938666	0	53	0.0	-68.12	413.07	0.73	-67.39
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938666	1	53	0.0	-66.84	422.39	0.91	-65.93
C[N@@H+]1CCC(=CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024938698	0	51	0.0	-74.84	418.62	0.84	-74.00
C[N@H+]1CCC(=CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024938698	1	51	0.0	-74.77	419.55	0.80	-73.97
C[C@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300024938715	0	49	0.0	-68.89	398.83	-0.33	-69.22
CC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024938729	1	50	0.0	-70.81	410.78	0.41	-70.40
C[N@H+](CCO)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938742	1	50	0.0	-70.80	408.80	-3.31	-74.11
C[N@@H+](CCO)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938742	1	50	0.0	-70.59	408.56	-3.32	-73.91
CC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938754	0	49	0.0	-69.96	398.45	-0.07	-70.03
CC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938754	1	49	0.0	-69.88	398.45	-0.07	-69.95
CC[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CC1	REAL300024938764	0	53	0.0	-66.68	429.32	1.29	-65.39
CC[N@@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CC1	REAL300024938764	1	53	0.0	-67.44	427.07	1.23	-66.21
C[NH+](C)CC=CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938783	0	50	0.0	-75.10	416.68	0.47	-74.63
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938800	1	50	0.0	-68.05	405.18	0.05	-68.00
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938800	1	50	0.0	-69.34	412.06	0.35	-68.99
C=CCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300024938819	0	53	0.0	-66.48	423.77	0.69	-65.79
O=C(C[NH+]1CC2CC2C1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938826	0	51	0.0	-70.24	415.75	1.20	-69.04
C[NH+](C)C(C)(C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938831	0	52	0.0	-72.03	407.96	0.44	-71.59
C[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938841	0	53	0.0	-66.78	422.66	0.84	-65.94
C[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938841	1	53	0.0	-66.84	422.36	0.91	-65.93
C[NH+](C)C1(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC1	REAL300024938873	0	50	0.0	-73.06	403.85	0.48	-72.58
O=C(CC[NH+]1CCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938874	0	53	0.0	-72.11	428.30	0.93	-71.18
C[N@@H+]1CC2CC1(C(=O)NCC1CN(C(=O)CSC3=NNC(=O)[N-]3)CCO1)C2	REAL300024938884	0	51	0.0	-71.87	411.17	0.52	-71.35
C[N@H+]1CC2CC1(C(=O)NCC1CN(C(=O)CSC3=NNC(=O)[N-]3)CCO1)C2	REAL300024938884	1	51	0.0	-71.72	411.53	0.37	-71.35
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938918	0	52	0.0	-66.53	418.92	0.61	-65.92
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+]1CC(C)C1	REAL300024938937	1	53	0.0	-67.68	429.15	0.97	-66.71
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938938	1	50	0.0	-68.19	406.49	0.07	-68.12
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024938938	1	50	0.0	-68.12	406.81	0.20	-67.92
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024938966	0	53	0.0	-72.14	430.44	0.97	-71.17
C[N@@H+]1CCCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939126	0	50	0.0	-71.84	401.91	0.02	-71.82
C[N@H+]1CCCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939126	1	50	0.0	-73.05	399.36	-0.29	-73.34
C[N@@H+]1CCC(CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024939293	0	53	0.0	-76.87	427.44	0.81	-76.06
C[N@H+]1CCC(CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024939293	1	53	0.0	-77.04	427.40	0.82	-76.22
CCC(C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024939296	0	52	0.0	-71.54	408.76	0.08	-71.46
CCC[N@H+](C)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939308	0	52	0.0	-75.53	419.93	0.57	-74.96
CCC[N@@H+](C)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939308	1	52	0.0	-75.35	419.66	0.64	-74.71
C[NH+](C)CC1(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024939344	0	53	0.0	-75.27	427.73	0.68	-74.59
CC[N@H+](C)CCC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939349	0	52	0.0	-77.13	420.48	0.52	-76.61
CC[N@@H+](C)CCC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939349	1	52	0.0	-77.18	420.80	0.45	-76.73
C[NH+]1CCC(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024939371	0	53	0.0	-79.46	424.68	0.73	-78.73
C[NH+](C)C1(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300024939403	0	53	0.0	-76.70	405.10	0.21	-76.49
CC1CCC[N@@H+]1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939425	0	53	0.0	-71.67	419.37	0.56	-71.11
CC1CCC[N@H+]1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939425	1	53	0.0	-71.60	419.08	0.62	-70.98
CC1CC[N@H+](CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024939442	0	53	0.0	-74.43	426.07	0.86	-73.57
CC1CC[N@@H+](CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024939442	1	53	0.0	-74.64	426.73	0.88	-73.76
CC[C@@H](C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024939444	0	52	0.0	-71.66	408.85	0.17	-71.49
CC1=[NH+]C=CN1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939479	1	48	0.0	-71.37	408.82	0.81	-70.56
CC1=C[NH+]=CN1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939497	1	48	0.0	-74.24	409.14	1.53	-72.71
C[C@@H]1[C@H](C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024939498	0	53	0.0	-79.34	415.78	0.17	-79.17
C[C@@H]1[C@H](C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024939498	1	53	0.0	-77.93	422.79	0.41	-77.52
C[N@H+](CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024939525	0	53	0.0	-73.29	426.60	1.21	-72.08
C[N@@H+](CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300024939525	1	53	0.0	-73.33	426.82	1.13	-72.20
C[NH+]1CCC(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024939530	0	53	0.0	-79.46	424.68	0.73	-78.73
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939542	0	50	0.0	-73.30	398.75	-0.22	-73.52
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939542	1	50	0.0	-69.61	405.44	0.12	-69.49
C[N@@H+]1CCCCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939582	0	53	0.0	-74.39	412.69	0.50	-73.89
C[N@H+]1CCCCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939582	1	53	0.0	-70.74	420.13	0.75	-69.99
CC1C(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300024939610	0	53	0.0	-74.11	422.88	0.56	-73.55
CC1C(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300024939610	1	53	0.0	-74.53	418.04	0.23	-74.30
C[C@@H](C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024939647	0	49	0.0	-73.14	397.54	-0.44	-73.58
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CC[NH+]2CCCC2)CCO1	REAL300024939664	0	53	0.0	-76.73	429.03	0.94	-75.79
C[N@H+](CCO)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939669	1	50	0.0	-75.90	408.78	-3.42	-79.32
C[N@@H+](CCO)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939669	1	50	0.0	-75.71	408.57	-3.41	-79.12
CC1C[NH+](CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024939707	1	50	0.0	-75.45	411.99	0.26	-75.19
CC[N@H+](C)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939736	0	49	0.0	-74.99	398.43	-0.18	-75.17
CC[N@@H+](C)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939736	1	49	0.0	-74.99	398.43	-0.18	-75.17
CC[N@H+](CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024939789	0	53	0.0	-73.49	421.38	0.79	-72.70
CC[N@@H+](CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024939789	1	53	0.0	-72.22	426.78	1.19	-71.03
C[N@@H+]1CC2CC1(C(=O)N1CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024939801	0	51	0.0	-75.47	407.20	0.33	-75.14
C[N@H+]1CC2CC1(C(=O)N1CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024939801	1	51	0.0	-75.36	407.33	0.14	-75.22
CC(C[NH+](C)C)C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939810	0	52	0.0	-71.81	417.36	0.28	-71.53
C[NH+](C)C1(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024939816	0	50	0.0	-76.27	403.11	-0.35	-76.62
C[C@H](C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024939825	0	49	0.0	-72.98	396.61	-0.45	-73.43
CC[N@@H+]1CCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939828	1	50	0.0	-74.59	411.65	0.17	-74.42
CC[N@H+]1CCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939828	1	50	0.0	-74.29	410.86	0.18	-74.11
NC1=CC=[NH+]C=C1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939838	0	46	0.0	-75.24	392.30	-2.79	-78.03
C[NH+](C)C(C)(C)C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939844	0	52	0.0	-75.70	401.95	-0.38	-76.08
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CC3CC3C2)CCO1	REAL300024939905	0	51	0.0	-75.43	416.16	1.04	-74.39
C[N@@H+]1CCCCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939911	0	53	0.0	-74.39	412.69	0.50	-73.89
C[N@H+]1CCCCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939911	1	53	0.0	-70.74	420.13	0.75	-69.99
C[N@@H+]1CCC(=CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024939932	0	51	0.0	-78.76	417.61	0.75	-78.01
C[N@H+]1CCC(=CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024939932	1	51	0.0	-78.68	417.38	0.78	-77.90
[N-]=[N+]=NCC(=O)N1CCOC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024939939	0	40	0.0	-24.50	357.67	-5.25	-29.75
CCC1C[NH+](CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024939953	1	53	0.0	-76.45	433.36	1.01	-75.44
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939958	0	50	0.0	-71.86	402.47	0.07	-71.79
C[N@H+]1CCC[C@H]1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024939958	1	50	0.0	-74.34	399.16	-0.24	-74.58
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024939991	0	53	0.0	-75.85	429.58	0.98	-74.87
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CCCCC2)CCO1	REAL300024940029	0	53	0.0	-74.91	422.44	1.02	-73.89
C[N@@H+]1CCCC(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024940030	0	53	0.0	-72.16	416.90	0.86	-71.30
C[N@H+]1CCCC(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024940030	1	53	0.0	-75.95	415.57	0.60	-75.35
CN1C=C[N+](CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024940031	0	48	0.0	-72.70	411.97	2.70	-70.00
C[N@H+](CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024940041	0	50	0.0	-72.06	409.97	0.56	-71.50
C[N@@H+](CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024940041	1	50	0.0	-72.12	410.00	0.58	-71.54
C[NH+]1CC(CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024940090	0	50	0.0	-76.62	411.84	-0.03	-76.65
C[NH+](C)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024940096	0	46	0.0	-75.78	380.70	-0.85	-76.63
C[C@@H](C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024940104	0	49	0.0	-73.14	397.54	-0.44	-73.58
CC(C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300024940118	0	53	0.0	-72.93	429.72	0.67	-72.26
CC1CC[N@@H+]1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024940119	1	50	0.0	-72.86	406.13	0.04	-72.82
CC1CC[N@H+]1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024940119	1	50	0.0	-72.89	406.43	-0.03	-72.92
C[NH+](C)CC=CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024940121	0	50	0.0	-79.66	416.81	0.43	-79.23
CC1(C)C[NH+](CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024940125	1	53	0.0	-75.46	430.78	0.80	-74.66
CC[NH+](CC)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024940137	0	52	0.0	-73.24	416.50	0.52	-72.72
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CCC2)CCO1	REAL300024940142	1	47	0.0	-75.62	390.97	-0.38	-76.00
CC(C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024940181	1	50	0.0	-72.52	399.50	-0.24	-72.76
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024940202	0	53	0.0	-72.67	410.03	0.28	-72.39
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024940202	1	53	0.0	-71.11	420.11	0.68	-70.43
C=CCC(C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024940221	0	53	0.0	-73.74	425.90	0.74	-73.00
NC(=[NH2+])SCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024940242	0	44	0.0	-72.30	388.64	-3.79	-76.09
CCC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300024940291	1	53	0.0	-71.25	433.02	1.09	-70.16
C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024940295	0	50	0.0	-67.21	406.47	0.36	-66.85
C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024940295	1	50	0.0	-69.41	400.45	-0.14	-69.55
O=C(C[NH+]1CCCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024940301	0	53	0.0	-69.58	422.42	1.12	-68.46
CC1C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC[N@@H+]1C	REAL300024940305	0	53	0.0	-72.32	417.95	0.52	-71.80
CC1C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC[N@H+]1C	REAL300024940305	1	53	0.0	-71.69	418.10	0.50	-71.19
C[N@@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940505	0	52	0.0	-66.01	413.11	1.48	-64.53
C[N@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940505	1	52	0.0	-70.90	407.52	1.02	-69.88
C[N@@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024940529	1	53	0.0	-82.98	425.54	0.95	-82.03
C[N@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024940529	1	53	0.0	-63.94	417.66	0.82	-63.12
CC1=[NH+]C=CN1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940668	1	50	0.0	-65.38	417.56	2.11	-63.27
C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@@H+]1C	REAL300024940686	0	55	0.0	-75.23	424.01	1.46	-73.77
C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@H+]1C	REAL300024940686	1	55	0.0	-72.57	429.46	2.01	-70.56
C[NH+](C)C1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CCC1	REAL300024940706	0	55	0.0	-72.39	421.48	2.49	-69.90
CC(C)[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024940708	0	57	0.0	-69.75	435.80	2.59	-67.16
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CCC1	REAL300024940717	0	55	0.0	-65.50	434.35	2.47	-63.03
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CCC1	REAL300024940717	1	55	0.0	-64.51	434.26	2.47	-62.04
C[NH+]1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024940741	0	55	0.0	-75.26	432.70	2.17	-73.09
C[N@@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940747	0	55	0.0	-64.25	420.14	1.92	-62.33
C[N@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940747	1	55	0.0	-63.71	420.77	1.90	-61.81
CC1=C[NH+]=CN1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940764	1	50	0.0	-70.17	417.18	2.86	-67.31
C[N@@H+]1CCC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024940774	0	55	0.0	-74.34	433.86	2.08	-72.26
C[N@H+]1CCC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024940774	1	55	0.0	-72.54	433.59	2.13	-70.41
CCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024940777	0	54	0.0	-66.97	418.04	1.52	-65.45
C[NH+](C)CCCCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940791	0	57	0.0	-71.97	453.50	2.64	-69.33
CC(C)C(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024940794	0	57	0.0	-64.65	438.13	2.57	-62.08
CCC[N@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940795	0	57	0.0	-69.71	449.77	2.46	-67.25
CCC[N@@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940795	1	57	0.0	-70.15	449.73	2.44	-67.71
CCC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940796	0	54	0.0	-67.09	427.37	1.90	-65.19
CCC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940796	1	54	0.0	-66.78	427.36	1.90	-64.88
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940811	0	52	0.0	-63.74	407.54	1.05	-62.69
C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940811	1	52	0.0	-65.37	412.51	1.55	-63.82
CC[NH+](CC)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940823	0	54	0.0	-65.98	419.36	1.48	-64.50
C[NH+](C)CC1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024940877	0	55	0.0	-67.08	432.11	2.61	-64.47
C[NH+]1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024940899	0	55	0.0	-75.26	432.70	2.17	-73.09
CC(C)[C@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024940914	0	57	0.0	-69.63	436.07	2.66	-66.97
CC[N@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940941	0	54	0.0	-69.06	428.27	1.71	-67.35
CC[N@@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940941	1	54	0.0	-69.46	428.23	1.71	-67.75
CC1CCC[N@@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940951	0	55	0.0	-63.39	426.88	1.89	-61.50
CC1CCC[N@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940951	1	55	0.0	-65.16	426.11	1.89	-63.27
CC1CC[N@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024940952	0	55	0.0	-67.85	433.67	2.18	-65.67
CC1CC[N@@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024940952	1	55	0.0	-67.94	432.65	2.27	-65.67
CC[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024940954	0	54	0.0	-64.78	418.06	1.50	-63.28
C[NH+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024940990	0	48	0.0	-67.41	388.14	0.49	-66.92
CN1C=C[N+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)=C1	REAL300024940991	0	50	0.0	-66.79	419.37	4.00	-62.79
C[N@@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024940994	0	55	0.0	-69.63	432.74	2.12	-67.51
C[N@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024940994	1	55	0.0	-59.24	426.51	2.33	-56.91
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+]1CCC1	REAL300024941001	1	52	0.0	-67.92	417.91	1.44	-66.48
C[NH+](C)CC(C)(C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941004	0	57	0.0	-68.25	435.18	2.05	-66.20
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024941011	0	52	0.0	-65.69	417.28	1.88	-63.81
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024941011	1	52	0.0	-64.26	417.54	1.90	-62.36
C[NH+]1CC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024941022	0	52	0.0	-72.16	419.80	1.35	-70.81
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024941034	0	51	0.0	-68.75	405.59	0.89	-67.86
[N-]=[N+]=NCC(=O)NCC1(NC(=O)CSC2=NC(=O)NN2)CCCC1	REAL300024941041	0	42	0.0	-25.17	364.39	-3.87	-29.04
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024941072	0	51	0.0	-68.75	405.59	0.89	-67.86
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941075	0	55	0.0	-68.02	420.38	1.83	-66.19
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941075	1	55	0.0	-61.64	429.57	2.09	-59.55
C[N@@H+]1CCC(=CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024941111	0	53	0.0	-74.29	426.27	2.05	-72.24
C[N@H+]1CCC(=CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024941111	1	53	0.0	-73.23	426.27	2.02	-71.21
C[C@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024941129	0	51	0.0	-68.65	406.10	0.85	-67.80
CC1C[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024941145	1	52	0.0	-68.63	418.08	1.63	-67.00
C[N@H+](CCO)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941158	1	52	0.0	-66.73	416.21	-2.08	-68.81
C[N@@H+](CCO)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941158	1	52	0.0	-68.92	415.96	-2.15	-71.07
CC(CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C[NH+](C)C	REAL300024941170	0	57	0.0	-71.06	444.93	2.39	-68.67
CC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941172	0	51	0.0	-66.69	405.87	1.16	-65.53
CC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941172	1	51	0.0	-66.56	405.86	1.16	-65.40
CC[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024941182	0	55	0.0	-64.83	437.17	2.49	-62.34
CC[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024941182	1	55	0.0	-65.39	433.98	2.40	-62.99
CC[NH+](CC)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941188	0	57	0.0	-68.65	445.29	2.35	-66.30
C[NH+](C)CC=CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941203	0	52	0.0	-75.44	423.38	1.72	-73.72
CC(CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024941220	0	57	0.0	-69.49	441.23	2.22	-67.27
CC[N@@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941224	1	52	0.0	-66.43	412.82	1.22	-65.21
CC[N@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941224	1	52	0.0	-68.21	419.09	1.51	-66.70
C=CCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024941245	0	55	0.0	-62.59	431.50	1.93	-60.66
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[NH+]2CC3CC3C2)CCCC1	REAL300024941253	0	53	0.0	-67.07	423.46	2.37	-64.70
CCCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024941258	0	57	0.0	-68.44	439.54	2.28	-66.16
C[NH+](C)C(C)(C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941260	0	54	0.0	-74.11	415.60	1.65	-72.46
C[N@@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941270	0	55	0.0	-64.25	420.14	1.92	-62.33
C[N@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941270	1	55	0.0	-63.71	420.77	1.90	-61.81
C[NH+](C)C1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024941306	0	52	0.0	-76.29	407.60	2.05	-74.24
O=C(CC[NH+]1CCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941307	0	55	0.0	-70.23	435.76	2.22	-68.01
C[N@@H+]1CC2CC1(C(=O)NCC1(NC(=O)CSC3=NNC(=O)[N-]3)CCCC1)C2	REAL300024941317	0	53	0.0	-69.89	419.47	1.71	-68.18
C[N@H+]1CC2CC1(C(=O)NCC1(NC(=O)CSC3=NNC(=O)[N-]3)CCCC1)C2	REAL300024941317	1	53	0.0	-73.12	412.54	1.75	-71.37
CC(C[NH+](C)C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941352	0	54	0.0	-60.47	425.88	1.74	-58.73
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+]1CC(C)C1	REAL300024941372	1	55	0.0	-64.21	437.33	2.19	-62.02
CC1CC[N@@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941373	1	52	0.0	-66.42	413.21	1.30	-65.12
CC1CC[N@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941373	1	52	0.0	-66.76	418.77	1.57	-65.19
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024941404	0	55	0.0	-67.31	436.98	2.26	-65.05
CC(CC[NH+](C)C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941405	0	57	0.0	-69.47	448.18	2.40	-67.07
C[N@@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941574	0	52	0.0	-67.28	407.99	1.00	-66.28
C[N@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941574	1	52	0.0	-71.34	405.50	0.92	-70.42
C[N@@H+]1CCC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024941748	0	55	0.0	-70.93	433.86	2.11	-68.82
C[N@H+]1CCC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024941748	1	55	0.0	-69.59	434.30	2.10	-67.49
CCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024941751	0	54	0.0	-69.33	420.19	1.66	-67.67
C[NH+](C)CCCCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941760	0	57	0.0	-71.59	452.80	2.63	-68.96
CCC[N@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941763	0	57	0.0	-71.13	449.02	2.49	-68.64
CCC[N@@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941763	1	57	0.0	-70.13	449.74	2.44	-67.69
CCC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941764	0	54	0.0	-68.08	427.37	1.91	-66.17
CCC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941764	1	54	0.0	-70.17	426.65	1.94	-68.23
C[NH+](C)CC1(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024941794	0	55	0.0	-76.12	430.03	3.07	-73.05
CC[N@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941799	0	54	0.0	-70.39	428.45	1.74	-68.65
CC[N@@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941799	1	54	0.0	-71.33	427.52	1.74	-69.59
C[NH+]1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024941814	0	55	0.0	-73.94	432.52	2.17	-71.77
CC1CCC[N@@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941852	0	55	0.0	-65.23	426.85	1.87	-63.36
CC1CCC[N@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941852	1	55	0.0	-65.96	433.51	2.30	-63.66
CC1CC[N@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024941867	0	55	0.0	-67.85	434.39	2.15	-65.70
CC1CC[N@@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024941867	1	55	0.0	-69.66	432.76	2.20	-67.46
CC[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024941869	0	54	0.0	-67.16	418.51	1.60	-65.56
CC1=[NH+]C=CN1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941903	1	50	0.0	-66.94	416.85	2.14	-64.80
CC1=C[NH+]=CN1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941918	1	50	0.0	-67.57	417.18	2.87	-64.70
C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@@H+]1C	REAL300024941919	0	55	0.0	-74.63	421.92	1.41	-73.22
C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@H+]1C	REAL300024941919	1	55	0.0	-72.03	428.22	1.94	-70.09
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CCC1	REAL300024941942	0	55	0.0	-68.55	433.52	2.50	-66.05
C[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CCC1	REAL300024941942	1	55	0.0	-68.03	433.66	2.52	-65.51
C[NH+]1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC1	REAL300024941948	0	55	0.0	-73.94	432.52	2.17	-71.77
C[N@@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941958	0	52	0.0	-71.06	405.62	0.95	-70.11
C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024941958	1	52	0.0	-67.49	412.22	1.57	-65.92
CC1C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@@H+]1C	REAL300024942018	0	55	0.0	-72.71	425.81	1.88	-70.83
CC1C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@H+]1C	REAL300024942018	1	55	0.0	-68.56	427.73	2.15	-66.41
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024942052	0	51	0.0	-67.22	405.45	0.97	-66.25
O=C(CC[NH+]1CCCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942070	0	55	0.0	-69.08	434.87	2.11	-66.97
C[N@H+](CCO)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942075	1	52	0.0	-69.71	416.22	-2.07	-71.78
C[N@@H+](CCO)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942075	1	52	0.0	-68.95	416.24	-2.08	-71.03
CC1C[NH+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024942114	1	52	0.0	-68.96	418.21	1.65	-67.31
CC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942139	0	51	0.0	-69.87	405.15	1.19	-68.68
CC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942139	1	51	0.0	-69.79	405.15	1.20	-68.59
CC(CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024942184	0	57	0.0	-68.04	444.83	2.24	-65.80
CC[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024942188	0	55	0.0	-65.72	437.24	2.49	-63.23
CC[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024942188	1	55	0.0	-66.46	434.36	2.47	-63.99
CC(C[NH+](C)C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942207	0	54	0.0	-70.50	425.63	1.75	-68.75
C[C@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024942219	0	51	0.0	-66.38	406.35	0.90	-65.48
CC[N@@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942222	1	52	0.0	-66.92	412.70	1.10	-65.82
CC[N@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942222	1	52	0.0	-67.43	419.81	1.53	-65.90
NC1=CC=[NH+]C=C1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942232	0	48	0.0	-72.26	396.11	-0.98	-73.24
CCCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024942236	0	57	0.0	-70.65	441.69	2.43	-68.22
CC(CC[NH+](C)C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942246	0	57	0.0	-68.02	447.99	2.37	-65.65
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[NH+]2CC3CC3C2)CCCC1	REAL300024942302	0	53	0.0	-70.57	422.76	2.39	-68.18
C[N@@H+]1CCCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942309	0	55	0.0	-64.09	428.40	2.07	-62.02
C[N@H+]1CCCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942309	1	55	0.0	-67.89	419.86	2.12	-65.77
C[N@@H+]1CCC(=CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024942328	0	53	0.0	-70.75	426.97	2.05	-68.70
C[N@H+]1CCC(=CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024942328	1	53	0.0	-72.22	425.31	2.10	-70.12
[N-]=[N+]=NCC(=O)NC1(CNC(=O)CSC2=NC(=O)NN2)CCCC1	REAL300024942333	0	42	0.0	-24.84	364.39	-3.88	-28.72
C[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942346	0	52	0.0	-65.99	413.14	1.49	-64.50
C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942346	1	52	0.0	-67.30	407.38	1.01	-66.29
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024942382	0	55	0.0	-72.29	436.98	2.24	-70.05
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[NH+]2CCCCC2)CCCC1	REAL300024942416	0	55	0.0	-68.94	429.16	2.37	-66.57
C[N@@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024942417	0	55	0.0	-70.65	431.76	2.14	-68.51
C[N@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024942417	1	55	0.0	-69.83	432.27	2.15	-67.68
CN1C=C[N+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)=C1	REAL300024942418	0	50	0.0	-64.23	419.40	4.02	-60.21
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024942427	0	52	0.0	-64.80	417.44	1.92	-62.88
C[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C1CC1	REAL300024942427	1	52	0.0	-66.17	417.54	1.91	-64.26
CC(CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)C[NH+](C)C	REAL300024942435	0	57	0.0	-71.72	444.24	2.49	-69.23
C[NH+]1CC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024942475	0	52	0.0	-68.04	418.88	1.32	-66.72
C[NH+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942482	0	48	0.0	-69.50	387.43	0.50	-69.00
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024942490	0	51	0.0	-67.22	405.45	0.97	-66.25
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+]1CC(C)C1	REAL300024942500	1	55	0.0	-65.84	437.56	2.18	-63.66
CC1CC[N@@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942501	1	52	0.0	-65.76	413.97	1.33	-64.43
CC1CC[N@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942501	1	52	0.0	-65.99	414.52	1.37	-64.62
C[NH+](C)CC=CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942502	0	52	0.0	-71.66	423.38	1.70	-69.96
CC[NH+](CC)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942518	0	54	0.0	-68.12	423.13	1.84	-66.28
CC[NH+](CC)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942537	0	57	0.0	-70.43	445.98	2.41	-68.02
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+]1CCC1	REAL300024942558	1	52	0.0	-64.67	415.70	1.52	-63.15
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942576	0	55	0.0	-68.57	419.86	1.91	-66.66
C[N@H+]1CCCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942576	1	55	0.0	-65.06	429.96	2.08	-62.98
C=CCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1)[NH+](C)C	REAL300024942592	0	55	0.0	-64.22	430.50	2.00	-62.22
NC(=[NH2+])SCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942612	0	46	0.0	-70.29	396.67	-2.64	-72.93
CCC1C[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)C1	REAL300024942667	1	55	0.0	-69.45	440.64	2.32	-67.13
C[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942671	0	52	0.0	-63.71	413.98	1.51	-62.20
C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024942671	1	52	0.0	-63.83	407.90	0.95	-62.88
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[NH+]2CCCCC2)CCCC1	REAL300024942678	0	55	0.0	-66.40	429.85	2.36	-64.04
CC1C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@@H+]1C	REAL300024942682	0	55	0.0	-65.86	425.74	1.69	-64.17
CC1C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)CC[N@H+]1C	REAL300024942682	1	55	0.0	-63.59	434.03	2.08	-61.51
C[N@@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024942833	0	53	0.0	-74.57	416.03	3.70	-70.87
C[N@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024942833	1	53	0.0	-76.38	412.56	3.40	-72.98
CCC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300024942936	0	55	0.0	-76.23	423.93	3.90	-72.33
CCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024942941	0	55	0.0	-72.23	433.49	4.28	-67.95
CCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024942941	1	55	0.0	-78.12	433.41	4.27	-73.85
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024942949	0	53	0.0	-69.89	413.05	3.38	-66.51
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024942949	1	53	0.0	-68.70	413.83	3.57	-65.13
CC[NH+](CC)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024942954	0	55	0.0	-75.83	429.87	4.19	-71.64
CC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943012	0	55	0.0	-80.09	434.23	4.12	-75.97
CC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943012	1	55	0.0	-80.02	434.23	4.11	-75.91
CC[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300024943015	0	55	0.0	-75.69	422.07	3.87	-71.82
C[NH+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943033	0	49	0.0	-78.38	394.13	2.84	-75.54
CC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+]1CCC1	REAL300024943037	0	53	0.0	-75.89	421.52	3.72	-72.17
C[N@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C1CC1	REAL300024943044	0	53	0.0	-74.66	423.42	4.25	-70.41
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C1CC1	REAL300024943044	1	53	0.0	-75.54	423.56	4.26	-71.28
C[NH+]1CC(CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300024943050	0	53	0.0	-79.19	425.47	3.72	-75.47
C[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300024943057	0	52	0.0	-70.00	410.86	3.21	-66.79
[N-]=[N+]=NCC(=O)N1CCC2(CN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300024943060	0	43	0.0	-26.42	371.14	-1.55	-27.97
C[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300024943079	0	52	0.0	-70.00	410.86	3.21	-66.79
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C[NH+]1CCC1)CC2	REAL300024943097	1	50	0.0	-72.03	404.63	3.25	-68.78
C[C@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300024943108	0	52	0.0	-69.94	410.89	3.19	-66.75
CC1C[NH+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300024943115	1	53	0.0	-78.23	425.44	3.94	-74.29
C[N@H+](CCO)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943126	1	53	0.0	-78.72	422.26	0.29	-78.43
C[N@@H+](CCO)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943126	1	53	0.0	-72.34	422.13	0.30	-72.04
CC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943133	0	52	0.0	-71.92	411.99	3.54	-68.38
CC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943133	1	52	0.0	-77.70	411.91	3.53	-74.17
C[NH+](C)CC=CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943151	0	53	0.0	-76.17	429.02	4.07	-72.10
CC[N@@H+]1CCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943157	0	53	0.0	-69.26	418.51	3.54	-65.72
CC[N@H+]1CCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943157	1	53	0.0	-75.06	417.20	3.49	-71.57
C[NH+](C)C(C)(C)C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943171	0	55	0.0	-79.12	414.47	3.33	-75.79
C[NH+](C)C1(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)CC1	REAL300024943194	0	53	0.0	-72.40	417.03	3.62	-68.78
CC(C[NH+](C)C)C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943216	0	55	0.0	-73.00	430.39	3.88	-69.12
CC1CC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943227	0	53	0.0	-75.77	420.06	3.65	-72.12
CC1CC[N@H+]1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943227	1	53	0.0	-75.83	419.96	3.66	-72.17
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943342	0	53	0.0	-69.16	420.39	3.94	-65.22
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943342	1	53	0.0	-71.58	419.48	3.94	-67.64
CCC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024943416	0	55	0.0	-70.91	427.50	4.10	-66.81
CCC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943420	0	55	0.0	-72.17	433.73	4.34	-67.83
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943420	1	55	0.0	-72.09	433.74	4.35	-67.74
CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943437	0	55	0.0	-73.82	434.61	4.15	-69.67
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943437	1	55	0.0	-73.90	434.61	4.16	-69.74
CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024943478	0	55	0.0	-70.56	427.18	4.08	-66.48
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943524	0	53	0.0	-71.07	413.22	3.42	-67.65
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943524	1	53	0.0	-71.54	417.35	3.85	-67.69
C[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024943579	0	52	0.0	-73.25	412.41	3.32	-69.93
C[N@H+](CCO)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943589	1	53	0.0	-72.47	422.59	0.36	-72.11
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943589	1	53	0.0	-72.65	422.38	0.37	-72.28
CC1C[NH+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300024943605	1	53	0.0	-72.37	424.52	4.06	-68.31
CC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943623	0	52	0.0	-71.80	412.23	3.60	-68.20
CC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943623	1	52	0.0	-71.70	412.23	3.59	-68.11
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943656	0	55	0.0	-73.77	430.64	3.99	-69.78
C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC3)CC1	REAL300024943659	0	53	0.0	-75.42	411.36	3.78	-71.64
C[C@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024943663	0	52	0.0	-72.81	411.76	3.32	-69.49
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943666	1	53	0.0	-72.32	425.76	3.89	-68.43
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943666	1	53	0.0	-69.85	418.30	3.53	-66.32
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943675	0	55	0.0	-76.69	416.77	3.90	-72.79
[N-]=[N+]=NCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300024943724	0	43	0.0	-24.69	371.48	-1.48	-26.17
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943737	0	53	0.0	-69.16	420.40	3.93	-65.23
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943737	1	53	0.0	-72.44	413.25	3.41	-69.03
C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300024943774	0	53	0.0	-69.76	423.46	4.34	-65.42
C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300024943774	1	53	0.0	-69.66	423.96	4.35	-65.31
C[NH+]1CC(CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300024943802	0	53	0.0	-74.02	425.60	3.67	-70.35
C[NH+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943805	0	49	0.0	-73.21	394.18	2.93	-70.28
C[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300024943808	0	52	0.0	-73.25	412.41	3.32	-69.93
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943817	1	53	0.0	-70.20	419.98	3.75	-66.45
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943817	1	53	0.0	-69.91	420.87	3.82	-66.09
C[NH+](C)CC=CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943818	0	53	0.0	-76.65	431.63	4.16	-72.49
CC[NH+](CC)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943824	0	55	0.0	-70.91	425.76	4.01	-66.90
O=C(C[NH+]1CCC1)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024943825	1	50	0.0	-72.37	404.82	3.40	-68.97
CC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+]1CCC1	REAL300024943848	1	53	0.0	-72.68	424.03	3.87	-68.81
NC(=[NH2+])SCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943888	0	47	0.0	-80.69	402.10	-0.11	-80.80
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943920	0	53	0.0	-69.34	419.56	3.78	-65.56
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024943920	1	53	0.0	-76.34	412.56	3.40	-72.94
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@@H+]1C	REAL300024944102	0	48	0.0	-64.23	378.32	1.29	-62.94
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@H+]1C	REAL300024944102	1	48	0.0	-65.75	388.08	1.52	-64.23
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@H+](C)CCO1	REAL300024944126	1	49	0.0	-74.63	396.05	0.94	-73.69
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@@H+](C)CCO1	REAL300024944126	1	49	0.0	-75.61	388.46	0.73	-74.88
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)[NH+]1CCCCCC1	REAL300024944281	0	57	0.0	-64.16	432.42	3.41	-60.75
CC(C)[N@@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944283	0	57	0.0	-61.87	434.63	3.15	-58.72
CC(C)[N@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944283	1	57	0.0	-63.28	426.87	2.90	-60.38
CC(C)[N@@H+]1CCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944301	0	54	0.0	-65.22	413.96	2.86	-62.36
CC(C)[N@H+]1CCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944301	1	54	0.0	-62.47	423.27	2.59	-59.88
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024944316	0	55	0.0	-66.05	428.34	3.26	-62.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024944316	1	55	0.0	-65.07	428.16	3.31	-61.76
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944333	1	52	0.0	-62.14	429.51	3.42	-58.72
CC1=[NH+]C=CN1CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944356	1	46	0.0	-63.00	393.31	2.28	-60.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC[NH+]1CCCCC1	REAL300024944370	0	57	0.0	-68.01	448.90	3.92	-64.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300024944383	0	57	0.0	-65.55	426.19	3.02	-62.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[NH+]2CCC1CC2	REAL300024944391	0	52	0.0	-77.55	399.83	2.15	-75.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC2CCC[N@@H+]21	REAL300024944424	0	55	0.0	-62.28	415.89	2.80	-59.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC2CCC[N@H+]21	REAL300024944424	1	55	0.0	-62.30	415.89	2.80	-59.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024944434	0	51	0.0	-66.22	394.20	2.16	-64.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024944434	1	51	0.0	-70.64	404.97	1.90	-68.74
CC[C@@H]1[C@@H](C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024944438	0	54	0.0	-66.81	416.55	2.23	-64.58
CC[C@@H]1[C@@H](C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024944438	1	54	0.0	-69.17	422.56	2.54	-66.63
CC[N@@H+]1CCOC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024944447	1	52	0.0	-64.57	400.91	1.39	-63.18
CC[N@H+]1CCOC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024944447	1	52	0.0	-74.35	406.25	1.36	-72.99
CC[NH+](CC)CC(F)C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944484	0	53	0.0	-68.64	422.18	2.40	-66.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1C(C)CCC1C	REAL300024944540	0	54	0.0	-63.41	420.59	2.56	-60.85
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC[NH+]1CCCC1	REAL300024944544	0	54	0.0	-67.49	433.69	3.27	-64.22
C#CC[NH+]1CCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024944548	0	53	0.0	-71.25	428.17	3.25	-68.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[NH+]1CCCCC1	REAL300024944549	0	54	0.0	-68.29	427.42	3.12	-65.17
CC[N@@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944553	0	54	0.0	-63.95	420.74	2.82	-61.13
CC[N@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944553	1	54	0.0	-63.04	410.01	2.42	-60.62
CC(C)C[N@@H+]1CCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024944565	0	57	0.0	-68.26	444.58	3.53	-64.73
CC(C)C[N@H+]1CCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024944565	1	57	0.0	-67.59	444.64	3.51	-64.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1([NH+](C)C)CCC1	REAL300024944568	0	51	0.0	-64.74	389.09	1.96	-62.78
CC(C)[N@@H+]1CCCC1CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944570	0	57	0.0	-62.23	435.54	2.84	-59.39
CC(C)[N@H+]1CCCC1CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944570	1	57	0.0	-62.62	434.05	2.83	-59.79
CC(C)[C@@H](C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024944580	0	53	0.0	-65.43	399.76	2.10	-63.33
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+](C)C1CCC1	REAL300024944615	0	51	0.0	-65.95	409.99	2.64	-63.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+](C)C1CCC1	REAL300024944615	1	51	0.0	-65.02	410.09	2.65	-62.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)[NH+]1C(C)CCC1C	REAL300024944656	0	57	0.0	-60.72	433.57	3.00	-57.72
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944706	1	50	0.0	-62.62	405.18	2.53	-60.09
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944706	1	50	0.0	-65.85	415.67	2.84	-63.01
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC1CCC[N@@H+]1C	REAL300024944711	0	54	0.0	-67.19	425.81	2.76	-64.43
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC1CCC[N@H+]1C	REAL300024944711	1	54	0.0	-70.85	431.26	3.21	-67.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CCC[NH+](CCC1)C2	REAL300024944718	0	55	0.0	-70.42	404.85	2.66	-67.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC2CCCC[N@@H+]21	REAL300024944721	0	55	0.0	-61.87	431.31	3.47	-58.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC2CCCC[N@H+]21	REAL300024944721	1	55	0.0	-61.83	427.81	3.47	-58.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCCC[NH+]1CCCC1	REAL300024944735	0	57	0.0	-67.98	455.18	4.05	-63.93
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[NH+](C)CC1	REAL300024944744	0	51	0.0	-72.05	403.46	2.08	-69.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024944770	1	50	0.0	-73.38	420.33	2.06	-71.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC[N@@H+]1C	REAL300024944792	0	51	0.0	-62.54	403.83	2.23	-60.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC[N@H+]1C	REAL300024944792	1	51	0.0	-62.18	402.58	2.20	-59.98
CC(C)C[N@@H+]1CCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944809	0	57	0.0	-65.44	430.43	3.68	-61.76
CC(C)C[N@H+]1CCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944809	1	57	0.0	-63.77	432.31	3.05	-60.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024944890	0	46	0.0	-71.57	398.79	4.05	-67.52
CC1=[NH+]C=CN1CCCC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944896	1	52	0.0	-65.19	434.83	3.63	-61.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[NH+]1CCOCC1	REAL300024944900	1	52	0.0	-71.79	419.14	0.75	-71.04
CC1=C[NH+]=CN1CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024944922	1	46	0.0	-67.32	392.57	2.98	-64.34
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CCC[NH+]1CCC2	REAL300024944953	0	52	0.0	-62.44	401.53	2.07	-60.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC([NH+](C)C)C1	REAL300024944972	0	57	0.0	-70.66	434.40	3.57	-67.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CC[N@H+](C)C1	REAL300024944974	0	51	0.0	-68.11	410.30	2.33	-65.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CC[N@@H+](C)C1	REAL300024944974	1	51	0.0	-68.09	410.29	2.33	-65.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=C[NH+]=CC=C1N(C)C	REAL300024944984	0	50	0.0	-72.70	415.22	0.54	-72.16
CCC(C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024944988	0	50	0.0	-66.94	393.47	1.68	-65.26
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1([NH+](C)C)CCCC1	REAL300024944996	0	57	0.0	-69.25	427.70	3.15	-66.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024945026	1	46	0.0	-71.94	390.99	3.87	-68.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCCC[NH+](C)C	REAL300024945069	0	53	0.0	-69.22	429.22	2.86	-66.36
CC(C)C(C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024945085	0	53	0.0	-64.63	407.88	2.42	-62.21
CCC[N@H+](C)CCC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024945087	0	53	0.0	-69.19	425.47	2.69	-66.50
CCC[N@@H+](C)CCC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024945087	1	53	0.0	-69.53	425.45	2.69	-66.84
CCC[N@H+](C)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024945092	0	50	0.0	-67.69	403.10	2.12	-65.57
CCC[N@@H+](C)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024945092	1	50	0.0	-67.64	403.08	2.08	-65.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC[N@H+](C1)CCC2	REAL300024945112	0	52	0.0	-70.38	390.50	1.63	-68.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC[N@@H+](C1)CCC2	REAL300024945112	1	52	0.0	-74.06	395.67	1.55	-72.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024945142	0	48	0.0	-64.90	386.66	1.58	-63.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CCC[N@H+]1C	REAL300024945142	1	48	0.0	-66.93	382.84	1.24	-65.69
CC[NH+](CC)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024945195	0	50	0.0	-65.30	399.70	2.04	-63.26
CCC[N@@H+]1CCCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024945226	0	57	0.0	-70.69	438.68	3.77	-66.92
CCC[N@H+]1CCCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024945226	1	57	0.0	-66.53	442.65	3.44	-63.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCC(C)CC1	REAL300024945265	0	54	0.0	-68.00	426.92	3.18	-64.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1(C[NH+](C)C)CC1	REAL300024945297	0	51	0.0	-63.22	412.16	2.27	-60.95
CC(C)[NH+]1CCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024945356	0	57	0.0	-71.46	435.58	3.24	-68.22
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[NH+](C)CC1	REAL300024945371	0	51	0.0	-72.05	403.46	2.08	-69.97
CC(C)[C@H](C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024945389	0	53	0.0	-66.89	403.21	2.67	-64.22
CCC(C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024945419	0	56	0.0	-61.71	425.03	2.87	-58.84
CC[N@H+](C)CCC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024945466	0	50	0.0	-68.77	403.95	1.97	-66.80
CC[N@@H+](C)CCC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024945466	1	50	0.0	-68.81	403.95	1.95	-66.86
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCCC1C	REAL300024945512	0	51	0.0	-64.88	408.81	2.37	-62.51
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCCC1C	REAL300024945512	1	51	0.0	-64.03	402.53	2.07	-61.96
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCC(C)C1	REAL300024945514	0	51	0.0	-66.70	409.73	2.45	-64.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCC(C)C1	REAL300024945514	1	51	0.0	-66.98	410.11	2.34	-64.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024945518	0	54	0.0	-66.52	428.86	2.93	-63.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300024945518	1	54	0.0	-66.88	428.82	2.94	-63.94
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+](C)CC(C)(C)C	REAL300024945519	0	56	0.0	-67.63	433.64	3.24	-64.39
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300024945519	1	56	0.0	-67.57	431.71	3.07	-64.50
CC[C@@H](C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024945527	0	50	0.0	-65.08	390.09	1.58	-63.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+](C)C	REAL300024945668	0	44	0.0	-67.70	363.87	0.68	-67.02
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCCCCC1	REAL300024945672	0	54	0.0	-66.21	414.95	2.74	-63.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N+]1=CN(C)C=C1	REAL300024945676	0	46	0.0	-65.24	395.10	4.19	-61.05
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@H+](C)C1	REAL300024945682	0	51	0.0	-68.91	403.90	2.09	-66.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@@H+](C)C1	REAL300024945682	1	51	0.0	-68.04	403.45	2.06	-65.98
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@@H+]1C1CC1	REAL300024945687	0	52	0.0	-68.13	410.84	2.61	-65.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@H+]1C1CC1	REAL300024945687	1	52	0.0	-65.97	412.80	2.52	-63.45
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)[NH+]1CCC1	REAL300024945710	0	48	0.0	-69.31	388.02	1.65	-67.66
CCC(CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024945714	0	56	0.0	-68.35	435.48	3.20	-65.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)(C)C[NH+](C)C	REAL300024945721	0	53	0.0	-67.14	395.16	2.19	-64.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024945735	0	53	0.0	-64.82	413.10	3.11	-61.71
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024945735	1	53	0.0	-65.93	413.26	2.83	-63.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCC(O)CC1	REAL300024945743	1	52	0.0	-71.69	416.69	-0.79	-72.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+](C)C1CC1	REAL300024945744	0	48	0.0	-64.35	393.14	2.08	-62.27
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+](C)C1CC1	REAL300024945744	1	48	0.0	-64.72	393.14	2.09	-62.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)N1CC[NH+](C)CC1	REAL300024945745	1	56	0.0	-64.13	438.99	0.56	-63.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1C[NH+](C)C1	REAL300024945763	0	48	0.0	-66.95	395.30	1.54	-65.41
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300024945767	0	55	0.0	-66.46	435.99	3.64	-62.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@H+]1C1CCCC1	REAL300024945767	1	55	0.0	-66.83	424.36	3.22	-63.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024945775	0	54	0.0	-65.00	405.83	1.67	-63.33
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300024945775	1	54	0.0	-63.24	399.57	1.86	-61.38
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL300024945786	0	47	0.0	-64.75	380.41	1.07	-63.68
CC(CNC(=O)CSC1=NC(=O)NN1)N(C)C(=O)CN=[N+]=[N-]	REAL300024945793	0	38	0.0	-22.30	340.82	-3.72	-26.02
CCC1CCC[N@H+](CC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024945817	0	57	0.0	-67.76	444.83	3.80	-63.96
CCC1CCC[N@@H+](CC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024945817	1	57	0.0	-65.40	437.36	3.34	-62.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024945824	0	52	0.0	-76.16	426.22	2.16	-74.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1C=CSC1=[NH2+]	REAL300024945865	0	44	0.0	-62.10	390.95	0.86	-61.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[N@H+](C)CCO	REAL300024945875	0	51	0.0	-69.23	414.30	-1.27	-70.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[N@@H+](C)CCO	REAL300024945875	1	51	0.0	-67.64	414.28	-1.28	-68.92
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL300024945876	0	47	0.0	-64.75	380.41	1.07	-63.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024945880	0	51	0.0	-65.33	404.22	2.29	-63.04
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CCCC[N@H+]1C	REAL300024945880	1	51	0.0	-66.01	389.16	1.86	-64.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@@H+]2CCN1CC2C	REAL300024945888	0	54	0.0	-73.91	412.09	-0.76	-74.67
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@H+]2CCN1CC2C	REAL300024945888	1	54	0.0	-66.98	408.85	-0.76	-67.74
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCC1	REAL300024945948	1	45	0.0	-67.70	373.95	1.10	-66.60
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=C1CC[N@H+](C)C1	REAL300024945971	0	49	0.0	-70.34	401.88	2.24	-68.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=C1CC[N@@H+](C)C1	REAL300024945971	1	49	0.0	-70.36	401.91	2.25	-68.11
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)COCC[NH+](C)C	REAL300024946001	0	51	0.0	-65.52	419.75	1.78	-63.74
C=CCC(C)(C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024946020	0	54	0.0	-67.96	406.32	3.03	-64.93
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(O)CC[S+](C)C	REAL300024946024	0	50	0.0	-65.53	425.62	0.18	-65.35
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024946049	0	52	0.0	-63.31	402.32	-2.30	-65.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300024946058	0	56	0.0	-65.85	430.05	0.07	-65.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024946058	1	56	0.0	-65.85	430.05	0.07	-65.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1CC(C)C1	REAL300024946075	0	48	0.0	-67.47	395.12	1.78	-65.69
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CC(C)C1	REAL300024946075	1	48	0.0	-67.47	395.12	1.78	-65.69
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN(C)CCO	REAL300024946097	0	48	0.0	-68.36	391.95	-1.89	-70.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+](C)CCO	REAL300024946097	1	48	0.0	-67.90	391.74	-1.88	-69.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+](C)CCO	REAL300024946097	1	48	0.0	-67.90	391.74	-1.88	-69.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300024946116	0	54	0.0	-68.41	409.28	-0.15	-68.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@H+]2CCN1CCC2	REAL300024946116	1	54	0.0	-68.41	409.28	-0.15	-68.56
CC[N@@H+]1CCCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024946121	0	54	0.0	-67.37	421.57	2.77	-64.60
CC[N@H+]1CCCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024946121	1	54	0.0	-67.37	421.57	2.77	-64.60
CC(CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024946123	0	53	0.0	-68.04	421.06	2.73	-65.31
CC[N@H+](C)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024946130	0	47	0.0	-67.21	381.59	1.35	-65.86
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CCC[N@@H+]1CCCC2	REAL300024946149	0	55	0.0	-60.55	410.94	2.30	-58.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CCC[N@H+]1CCCC2	REAL300024946149	1	55	0.0	-60.55	410.94	2.30	-58.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300024946154	0	53	0.0	-61.90	404.75	2.35	-59.55
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CCC[N@H+]1CC=CC2	REAL300024946154	1	53	0.0	-62.49	405.55	2.44	-60.05
CC[N@H+](CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024946173	0	51	0.0	-63.79	409.10	2.49	-61.30
CC[N@@H+](CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024946173	1	51	0.0	-65.87	405.25	2.58	-63.29
CC[NH+](CC)CCC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024946185	0	53	0.0	-67.82	417.47	2.37	-65.45
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=C1CC[NH+](C)CC1	REAL300024946195	0	52	0.0	-69.00	416.69	2.99	-66.01
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CC(C)(C)C1	REAL300024946204	1	51	0.0	-67.55	414.27	2.25	-65.30
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024946226	0	52	0.0	-66.34	419.90	-0.90	-67.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCC(C)(O)C1	REAL300024946226	1	52	0.0	-67.26	420.40	-0.89	-68.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=CC[NH+](C)C	REAL300024946233	0	48	0.0	-71.57	400.28	1.96	-69.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)OCC[NH+](C)C	REAL300024946250	0	54	0.0	-69.47	434.96	2.21	-67.26
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCOCC[NH+](C)C	REAL300024946257	0	54	0.0	-65.93	440.67	1.54	-64.39
COCC[N@H+](C)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024946258	1	51	0.0	-68.14	413.99	0.53	-67.61
COCC[N@@H+](C)CC(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024946258	1	51	0.0	-68.69	414.21	0.51	-68.18
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1([NH+](C)C)CCCC1	REAL300024946282	0	54	0.0	-72.54	406.02	2.48	-70.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC(C)[NH+](C)C	REAL300024946285	0	53	0.0	-66.58	421.14	2.47	-64.11
CC[N@@H+]1CCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024946291	1	48	0.0	-66.40	394.00	1.56	-64.84
CC[N@H+]1CCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024946291	1	48	0.0	-65.40	387.08	1.33	-64.07
CC(C)[N@@H+]1CCCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024946299	0	57	0.0	-63.21	431.46	3.46	-59.75
CC(C)[N@H+]1CCCC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024946299	1	57	0.0	-59.44	428.80	3.46	-55.98
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCCC1CO	REAL300024946310	0	52	0.0	-66.07	417.00	-0.71	-66.78
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCCC1CO	REAL300024946310	1	52	0.0	-65.81	418.66	-0.78	-66.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024946330	0	55	0.0	-66.05	428.34	3.26	-62.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024946330	1	55	0.0	-65.07	428.16	3.31	-61.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1(C)CC[NH+](C)CC1	REAL300024946336	0	54	0.0	-64.18	401.96	2.55	-61.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024946342	0	52	0.0	-70.20	425.86	2.26	-67.94
C=CCC(C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024946361	0	51	0.0	-64.67	405.05	2.06	-62.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024946370	0	54	0.0	-63.71	422.55	2.39	-61.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300024946370	1	54	0.0	-63.01	426.05	2.64	-60.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCCCC[NH+](C)C	REAL300024946373	0	56	0.0	-68.60	450.72	3.64	-64.96
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CC2CC2C1	REAL300024946380	0	49	0.0	-67.74	399.20	2.56	-65.18
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300024946403	0	54	0.0	-75.27	413.33	-0.66	-75.93
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@H+]2CCN1C(C)C2	REAL300024946403	1	54	0.0	-75.70	413.74	-0.61	-76.31
CCCC(C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024946404	0	53	0.0	-66.64	413.11	2.35	-64.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)(C)[NH+](C)C	REAL300024946408	0	50	0.0	-66.21	383.55	1.42	-64.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC[N@@H+]1C	REAL300024946441	0	51	0.0	-62.54	403.83	2.23	-60.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC[N@H+]1C	REAL300024946441	1	51	0.0	-62.18	402.58	2.20	-59.98
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1=CC[N@H+](C)CC1	REAL300024946472	0	52	0.0	-66.13	423.02	3.05	-63.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1=CC[N@@H+](C)CC1	REAL300024946472	1	52	0.0	-64.72	422.97	3.04	-61.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1([NH+]2CCCC2)CC1	REAL300024946480	0	55	0.0	-64.01	428.96	3.48	-60.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024946517	1	51	0.0	-73.50	425.17	2.53	-70.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=CC[NH+]1CCCC1	REAL300024946531	0	52	0.0	-70.39	423.59	2.99	-67.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[NH+](C2CC2)CC1	REAL300024946549	0	55	0.0	-70.98	424.82	3.61	-67.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1([NH+](C)C)CC1	REAL300024946566	0	48	0.0	-66.13	381.97	1.55	-64.58
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[NH+]1CCCC1	REAL300024946568	0	51	0.0	-68.47	412.18	2.46	-66.01
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[NH+]2CCN1CC2	REAL300024946600	0	51	0.0	-68.90	396.46	-1.19	-70.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024946608	0	49	0.0	-69.28	391.37	1.65	-67.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC(C1)C[N@H+]2C	REAL300024946608	1	49	0.0	-69.18	390.25	1.97	-67.21
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CC2CCC1C2	REAL300024946619	0	52	0.0	-64.21	407.76	2.58	-61.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CC2CCC1C2	REAL300024946619	1	52	0.0	-65.15	410.41	2.80	-62.35
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=C1C[NH+]2CCC1CC2	REAL300024946655	0	53	0.0	-64.07	419.17	3.09	-60.98
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024946665	1	50	0.0	-65.02	402.99	2.55	-62.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CC2C=CC1C2	REAL300024946665	1	50	0.0	-65.60	403.11	2.69	-62.91
CC[NH+]1CCN(CC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024946691	0	56	0.0	-64.82	440.62	0.85	-63.97
CC(C[NH+](C)C)C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024946705	0	50	0.0	-61.81	397.10	1.80	-60.01
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CCCC[N@@H+]1C	REAL300024946766	0	54	0.0	-59.89	415.59	2.79	-57.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CCCC[N@H+]1C	REAL300024946766	1	54	0.0	-68.70	423.22	2.90	-65.80
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)[NH+]1CC(C)C1	REAL300024946780	0	51	0.0	-64.96	408.15	2.09	-62.87
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCC1C	REAL300024946782	1	48	0.0	-65.27	389.60	1.47	-63.80
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCC1C	REAL300024946782	1	48	0.0	-65.58	395.18	1.76	-63.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC(O)C[NH+](C)C	REAL300024946785	0	51	0.0	-71.17	416.57	-0.29	-71.46
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@H+](C)CC(C)O1	REAL300024946809	1	52	0.0	-73.53	419.18	1.72	-71.81
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@@H+](C)CC(C)O1	REAL300024946809	1	52	0.0	-82.81	410.45	1.21	-81.60
CCC[N@@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024946818	0	57	0.0	-62.02	442.24	3.59	-58.43
CCC[N@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024946818	1	57	0.0	-64.85	428.37	3.25	-61.60
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024946874	0	51	0.0	-64.84	412.35	2.37	-62.47
CC(CC[NH+](C)C)C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024946881	0	53	0.0	-67.78	419.00	2.31	-65.47
C#CC[N@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024946902	1	53	0.0	-64.14	417.54	2.97	-61.17
C#CC[N@@H+]1CCCCC1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024946902	1	53	0.0	-65.00	429.60	3.46	-61.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1CC[NH+](C)CC1	REAL300024946905	1	53	0.0	-65.48	423.01	0.19	-65.29
CC[NH+]1CCN(CC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024946912	0	56	0.0	-64.82	440.62	0.85	-63.97
CC(CNC(=O)C1CCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947082	0	48	0.0	-60.27	383.88	1.31	-58.96
CC(CNC(=O)C1CCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947082	1	48	0.0	-60.41	383.83	1.30	-59.11
CC(CNC(=O)C1C[N@H+](C)CCO1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947108	1	49	0.0	-63.94	394.15	1.05	-62.89
CC(CNC(=O)C1C[N@@H+](C)CCO1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947108	1	49	0.0	-65.70	401.24	1.21	-64.49
CC1=[NH+]C=CN1CCCC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947265	1	52	0.0	-61.44	434.84	3.66	-57.78
CC(CNC(=O)CC[NH+]1CCOCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947269	1	52	0.0	-65.30	419.14	0.76	-64.54
CC(CNC(=O)C12CCC[NH+]1CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947287	0	52	0.0	-55.90	408.51	2.75	-53.15
CC(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947295	1	46	0.0	-64.71	394.32	4.26	-60.45
CC(CNC(=O)C1CCCC([NH+](C)C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947341	0	57	0.0	-62.03	436.18	3.41	-58.62
CC(CNC(=O)CC1CC[N@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947343	0	51	0.0	-64.58	410.19	2.35	-62.23
CC(CNC(=O)CC1CC[N@@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947343	1	51	0.0	-65.03	410.39	2.36	-62.67
CC(CNC(=O)C1=C[NH+]=CC=C1N(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947353	0	50	0.0	-61.74	414.76	1.57	-60.17
CCC(C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024947357	0	50	0.0	-59.88	394.51	1.76	-58.12
CC(CNC(=O)CCCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947406	0	53	0.0	-65.67	429.22	2.91	-62.76
CC(C)C(C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024947424	0	53	0.0	-59.54	408.07	2.31	-57.23
CCC[N@H+](C)CCC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947426	0	53	0.0	-63.59	425.47	2.71	-60.88
CCC[N@@H+](C)CCC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947426	1	53	0.0	-63.49	425.45	2.70	-60.79
CCC[N@H+](C)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947431	0	50	0.0	-61.49	403.08	2.17	-59.32
CCC[N@@H+](C)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947431	1	50	0.0	-61.46	403.10	2.16	-59.30
CC(CNC(=O)C12CC[N@H+](C1)CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947451	0	52	0.0	-62.53	405.81	1.97	-60.56
CC(CNC(=O)C12CC[N@@H+](C1)CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947451	1	52	0.0	-63.21	405.45	1.97	-61.24
CC(CNC(=O)C[NH+]1CCC(C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947500	0	54	0.0	-60.93	426.81	3.26	-57.67
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947559	0	55	0.0	-59.79	431.38	3.51	-56.28
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947559	1	55	0.0	-59.75	431.37	3.44	-56.31
CC(CNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947568	0	51	0.0	-62.12	415.68	2.54	-59.58
CC(C)[NH+]1CCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024947577	0	57	0.0	-61.87	439.12	3.38	-58.49
CC[N@H+](C)CCC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947593	0	50	0.0	-62.98	403.97	1.98	-61.00
CC[N@@H+](C)CCC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947593	1	50	0.0	-62.96	403.95	1.96	-61.00
CC(CNC(=O)C(C)(C)[NH+]1CCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947612	0	57	0.0	-55.78	433.23	3.73	-52.05
CC(CNC(=O)C1C[NH+]2CCC1CC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947620	0	52	0.0	-63.14	405.24	2.56	-60.58
CC(CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947679	0	51	0.0	-64.29	408.44	2.44	-61.85
CC(C)[C@H](C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024947697	0	53	0.0	-59.55	408.95	2.31	-57.24
CC[NH+](CC)CC(F)C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947777	0	53	0.0	-61.79	425.78	2.67	-59.12
CC(C)C[N@@H+]1CCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024947803	0	57	0.0	-61.78	448.97	3.73	-58.05
CC(C)C[N@H+]1CCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024947803	1	57	0.0	-62.30	449.57	3.67	-58.63
CC(CNC(=O)C1([NH+](C)C)CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947806	0	51	0.0	-58.20	394.70	2.30	-55.90
CCC(C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024947836	0	56	0.0	-56.91	426.45	2.79	-54.12
CC(CNC(=O)C[N@@H+]1CCCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947852	0	51	0.0	-58.65	409.22	2.56	-56.09
CC(CNC(=O)C[N@H+]1CCCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947852	1	51	0.0	-58.55	402.58	2.12	-56.43
CC(CNC(=O)C(C)[NH+]1CCCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947897	0	57	0.0	-58.24	434.95	3.55	-54.69
CC(C)[N@@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947899	0	57	0.0	-56.05	437.12	3.28	-52.77
CC(C)[N@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947899	1	57	0.0	-56.56	430.85	3.34	-53.22
CC(C)[N@@H+]1CCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947917	0	54	0.0	-57.84	416.35	3.00	-54.84
CC(C)[N@H+]1CCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947917	1	54	0.0	-57.24	422.68	2.87	-54.37
CC(C)[N@@H+]1CCCC1CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947923	0	57	0.0	-56.69	433.08	3.30	-53.39
CC(C)[N@H+]1CCCC1CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947923	1	57	0.0	-57.20	434.32	2.86	-54.34
CC(C)[C@@H](C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024947933	0	53	0.0	-59.09	409.49	2.30	-56.79
CC(CNC(=O)C[N@@H+]1CCC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947951	0	51	0.0	-60.54	409.42	2.51	-58.03
CC(CNC(=O)C[N@H+]1CCC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947951	1	51	0.0	-60.43	409.42	2.49	-57.94
CC(CNC(=O)C[N@@H+]1CCC(C)(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947955	0	54	0.0	-60.28	429.42	3.02	-57.26
CC(CNC(=O)C[N@H+]1CCC(C)(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947955	1	54	0.0	-60.25	428.87	3.01	-57.24
CC(CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947956	0	56	0.0	-60.78	433.66	3.31	-57.47
CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947956	1	56	0.0	-61.02	431.69	3.17	-57.85
CC[C@@H](C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024947964	0	50	0.0	-59.77	394.11	1.78	-57.99
CC1=[NH+]C=CN1CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948123	1	46	0.0	-59.65	393.30	2.37	-57.28
CC(CNC(=O)CCC[NH+]1CCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948137	0	57	0.0	-63.47	448.92	3.96	-59.51
CC(CNC(=O)C1=NOC(C[NH+](C)C)=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948149	1	50	0.0	-73.17	422.99	1.78	-71.39
CC(C)C1=[NH+]C=CN1CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948175	1	52	0.0	-58.26	429.52	3.49	-54.77
CC(CNC(=O)C1CCCC2CCC[N@@H+]21)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948201	0	55	0.0	-57.74	420.54	3.33	-54.41
CC(CNC(=O)C1CCCC2CCC[N@H+]21)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948201	1	55	0.0	-57.34	420.02	3.31	-54.03
CC[N@@H+]1CCOC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024948214	1	52	0.0	-64.70	419.05	1.86	-62.84
CC[N@H+]1CCOC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024948214	1	52	0.0	-61.68	411.94	1.69	-59.99
CC(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948252	0	46	0.0	-64.05	394.04	4.25	-59.80
CC1=C[NH+]=CN1CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948256	1	46	0.0	-62.22	392.59	3.06	-59.16
CC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948265	0	51	0.0	-62.72	400.93	1.94	-60.78
CC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948265	1	51	0.0	-62.54	406.93	2.04	-60.50
CC[C@@H]1[C@@H](C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024948269	0	54	0.0	-62.60	420.80	2.48	-60.12
CC[C@@H]1[C@@H](C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024948269	1	54	0.0	-61.08	424.60	3.02	-58.06
CC(CNC(=O)C[NH+]1C(C)CCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948279	0	54	0.0	-57.26	420.91	2.63	-54.63
CC(CNC(=O)CCC[NH+]1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948283	0	54	0.0	-63.63	433.68	3.30	-60.33
C#CC[NH+]1CCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024948288	0	53	0.0	-65.55	433.62	3.64	-61.91
CC(CNC(=O)CC[NH+]1CCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948289	0	54	0.0	-62.37	427.42	3.16	-59.21
CC[N@@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948294	0	54	0.0	-58.31	414.21	2.83	-55.48
CC[N@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948294	1	54	0.0	-58.35	414.23	2.83	-55.52
CC(CNC(=O)CC1([NH+](C)C)CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948326	0	57	0.0	-62.96	427.70	3.19	-59.77
CC(CNC(=O)C[N@H+](C)C1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948437	0	51	0.0	-59.77	409.98	2.74	-57.03
CC(CNC(=O)C[N@@H+](C)C1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948437	1	51	0.0	-59.65	410.08	2.75	-56.90
CC(CNC(=O)C(C)[NH+]1C(C)CCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948454	0	57	0.0	-55.71	433.23	3.22	-52.49
CC(CNC(=O)CCCC[NH+]1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948465	0	57	0.0	-64.28	455.19	4.08	-60.20
CC(CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948474	0	51	0.0	-64.29	408.44	2.44	-61.85
CC(CNC(=O)[C@H]1CCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948508	0	48	0.0	-59.16	388.96	1.82	-57.34
CC(CNC(=O)[C@H]1CCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948508	1	48	0.0	-60.47	383.84	1.30	-59.17
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948527	1	50	0.0	-58.47	410.45	2.53	-55.94
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948527	1	50	0.0	-58.63	416.40	3.06	-55.57
CC(CNC(=O)CCC1CCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948532	0	54	0.0	-63.45	425.83	2.79	-60.66
CC(CNC(=O)CCC1CCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948532	1	54	0.0	-62.60	431.26	3.26	-59.34
CC(CNC(=O)C12CCC[NH+](CCC1)C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948539	0	55	0.0	-64.52	421.27	2.95	-61.57
CC(CNC(=O)C1CCC2CCCC[N@@H+]21)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948542	0	55	0.0	-56.12	431.23	3.64	-52.48
CC(CNC(=O)C1CCC2CCCC[N@H+]21)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948542	1	55	0.0	-56.12	431.35	3.65	-52.47
CCC[N@@H+]1CCCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024948601	0	57	0.0	-61.89	447.62	3.79	-58.10
CCC[N@H+]1CCCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024948601	1	57	0.0	-61.95	447.60	3.79	-58.16
CC(CNC(=O)C1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948634	0	51	0.0	-59.88	396.53	2.20	-57.68
CC(CNC(=O)C1CCCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948634	1	51	0.0	-58.87	405.82	2.36	-56.51
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948652	0	57	0.0	-58.18	448.30	3.92	-54.26
CC(C)C[N@H+]1CCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948652	1	57	0.0	-58.03	448.60	3.95	-54.08
CC(CNC(=O)C1CC[N@H+](C)C1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948703	0	51	0.0	-61.41	409.87	2.31	-59.10
CC(CNC(=O)C1CC[N@@H+](C)C1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948703	1	51	0.0	-61.40	405.05	1.97	-59.43
CC(CNC(=O)CCC1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948705	0	57	0.0	-63.33	444.88	3.67	-59.66
CC(CNC(=O)CCC1CCCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948705	1	57	0.0	-63.22	445.23	3.69	-59.53
CC(CNC(=O)C1CC[N@@H+]1C(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948782	0	54	0.0	-57.50	425.39	2.50	-55.00
CC(CNC(=O)C1CC[N@H+]1C(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948782	1	54	0.0	-57.62	425.86	2.51	-55.11
CC(CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948800	0	47	0.0	-60.25	381.98	1.15	-59.10
C=CCC(C)(C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024948814	0	54	0.0	-58.96	419.23	2.82	-56.14
CC(CNC(=O)CC[NH+]1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948834	0	51	0.0	-62.44	412.20	2.49	-59.95
CC(CNC(=O)C[N@H+](C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948844	1	48	0.0	-61.92	391.96	-1.81	-63.73
CC(CNC(=O)C[N@@H+](C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948844	1	48	0.0	-61.40	391.71	-1.82	-63.22
CC(CNC(=O)C1C[N@@H+]2CCN1CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948873	0	54	0.0	-64.94	411.98	0.07	-64.87
CC(CNC(=O)C1C[N@H+]2CCN1CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948873	1	54	0.0	-65.26	413.49	0.54	-64.72
CC(CNC(=O)CC1=CC[N@H+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948917	0	52	0.0	-65.39	423.00	3.10	-62.29
CC(CNC(=O)CC1=CC[N@@H+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948917	1	52	0.0	-64.51	422.99	3.10	-61.41
CC(CNC(=O)C(O)CC[S+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948931	0	50	0.0	-62.44	428.70	0.43	-62.01
CC(CNC(=O)C1(C)CC(O)C[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948949	0	52	0.0	-60.29	409.51	-0.68	-60.97
CC(CNC(=O)C1(C)CC(O)C[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948949	1	52	0.0	-61.18	411.58	-0.90	-62.08
CC(CNC(=O)C1CN(C)CC[N@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948958	0	56	0.0	-61.60	436.25	0.92	-60.68
CC(CNC(=O)C1CN(C)CC[N@@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948958	1	56	0.0	-62.93	433.98	0.93	-62.00
CC(CNC(=O)C[NH+]1CC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948986	1	48	0.0	-61.40	395.13	1.86	-59.54
CC[N@@H+]1CCCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024948992	0	54	0.0	-58.42	419.86	3.24	-55.18
CC[N@H+]1CCCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024948992	1	54	0.0	-61.45	426.12	3.04	-58.41
CC(CNC(=O)C1CCC[N@@H+]1C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949007	0	52	0.0	-58.30	416.33	2.75	-55.55
CC(CNC(=O)C1CCC[N@H+]1C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949007	1	52	0.0	-58.37	414.29	2.61	-55.76
CC(CNC(=O)C=CC[NH+]1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949042	0	52	0.0	-64.75	424.41	3.03	-61.72
CC(CNC(=O)C1CC[NH+](C2CC2)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949060	0	55	0.0	-61.18	433.30	3.63	-57.55
CC[N@H+](C)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949097	0	47	0.0	-61.16	381.59	1.44	-59.72
CC(CNC(=O)CN1CC2C=CC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949140	0	50	0.0	-59.14	403.34	2.72	-56.42
CC(CNC(=O)C[N@@H+]1CC2C=CC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949140	1	50	0.0	-59.02	403.20	2.73	-56.29
CC(CNC(=O)C[N@H+]1CC2C=CC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949140	1	50	0.0	-59.02	403.20	2.73	-56.29
CC(CNC(=O)C1C[NH+]2CCN1CC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949207	0	51	0.0	-64.57	400.13	-0.77	-65.34
CC(CNC(=O)C12CCC[N@@H+]1CCCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949240	0	55	0.0	-57.71	418.91	3.37	-54.34
CC(CNC(=O)C12CCC[N@H+]1CCCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949240	1	55	0.0	-56.91	418.21	3.34	-53.57
CC(CNC(=O)C12CCC[N@@H+]1CC=CC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949246	0	53	0.0	-56.95	411.37	3.05	-53.90
CC(CNC(=O)C12CCC[N@H+]1CC=CC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949246	1	53	0.0	-57.65	410.07	3.25	-54.40
CC(CNC(=O)C(C)OCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949255	0	54	0.0	-64.34	439.51	2.51	-61.83
CC(CNC(=O)CCOCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949263	0	54	0.0	-63.71	440.67	1.56	-62.15
COCC[N@H+](C)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949265	1	51	0.0	-61.25	413.97	0.60	-60.65
COCC[N@@H+](C)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949265	1	51	0.0	-61.80	414.21	0.59	-61.21
CC(CNC(=O)C1C[NH+](C2CCOC2)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949266	0	53	0.0	-66.34	430.55	1.14	-65.20
CC(CNC(=O)CCC(C)[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949270	0	53	0.0	-63.62	421.14	2.49	-61.13
CC(CNC(=O)C=C1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949283	0	52	0.0	-66.83	417.42	3.03	-63.80
CC[N@H+](CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024949290	0	51	0.0	-58.16	409.12	2.56	-55.60
CC[N@@H+](CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024949290	1	51	0.0	-59.51	405.27	2.66	-56.85
CC(CNC(=O)C1C[N@@H+]2CCN1C(C)C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949303	0	54	0.0	-63.86	416.84	-0.18	-64.04
CC(CNC(=O)C1C[N@H+]2CCN1C(C)C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949303	1	54	0.0	-63.44	403.36	0.12	-63.32
CC(CNC(=O)C12CC(C1)C[N@@H+]2C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949323	0	49	0.0	-57.84	394.07	2.12	-55.72
CC(CNC(=O)C12CC(C1)C[N@H+]2C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949323	1	49	0.0	-58.11	396.16	1.92	-56.19
CC(CNC(=O)C[N@@H+]1CC2CCC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949336	0	52	0.0	-58.95	410.58	2.87	-56.08
CC(CNC(=O)C[N@H+]1CC2CCC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949336	1	52	0.0	-59.00	410.26	2.86	-56.14
CC(C[NH+](C)C)C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949355	0	50	0.0	-60.18	402.05	2.13	-58.05
CC(CNC(=O)C1([NH+](C)C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949368	0	48	0.0	-59.37	387.65	1.79	-57.58
CC(CNC(=O)[C@@H](C)[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949391	0	47	0.0	-60.33	382.01	1.17	-59.16
CC[N@@H+]1CCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949397	1	48	0.0	-60.16	395.55	1.73	-58.43
CC[N@H+]1CCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949397	1	48	0.0	-60.05	395.51	1.78	-58.27
CC(C)[N@@H+]1CCCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024949407	0	57	0.0	-60.09	442.78	3.55	-56.54
CC(C)[N@H+]1CCCC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024949407	1	57	0.0	-60.11	442.77	3.55	-56.56
CCC(C)(C)[NH2+]C(C)C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949417	0	56	0.0	-60.16	429.29	1.38	-58.78
C#CC[N@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949454	1	53	0.0	-57.76	431.10	3.56	-54.20
C#CC[N@@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949454	1	53	0.0	-58.57	421.76	3.39	-55.18
CC(CNC(=O)C1=C[NH+]=CC=C1N)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949456	0	44	0.0	-57.87	371.99	-0.76	-58.63
CCCC(C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024949465	0	53	0.0	-60.85	415.76	2.54	-58.31
CC(CNC(=O)C(C)(C)[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949472	0	50	0.0	-58.64	390.90	1.92	-56.72
CC(CC[NH+](C)C)C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949490	0	53	0.0	-65.05	423.89	2.64	-62.41
CC(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949542	0	53	0.0	-57.62	412.34	2.85	-54.77
CC(CNC(=O)C12CC(C1)C[N@H+]2C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949542	1	53	0.0	-55.77	421.89	4.09	-51.68
CC(CNC(=O)C1CC(C)(C)C[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949569	0	54	0.0	-59.80	424.26	2.37	-57.43
CC(CNC(=O)C1CC(C)(C)C[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949569	1	54	0.0	-59.75	423.73	2.47	-57.28
CC(CNC(=O)CCCCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949572	0	56	0.0	-66.22	450.72	3.68	-62.54
CCC[N@@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949578	0	57	0.0	-58.60	435.73	3.57	-55.03
CCC[N@H+]1CCCCC1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949578	1	57	0.0	-57.77	445.14	3.75	-54.02
CC(CNC(=O)CN1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949587	1	53	0.0	-65.23	422.89	0.26	-64.97
CC(CNC(=O)C1C[N@H+](C)CC(C)O1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949663	1	52	0.0	-66.60	422.45	1.94	-64.66
CC(CNC(=O)C1C[N@@H+](C)CC(C)O1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949663	1	52	0.0	-64.05	415.35	1.78	-62.27
CCC1CCC[N@H+](CC(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024949690	0	57	0.0	-60.89	444.84	3.88	-57.01
CCC1CCC[N@@H+](CC(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024949690	1	57	0.0	-60.88	444.84	3.87	-57.01
CC(CNC(=O)C1=CC=C(C[NH+](C)C)N1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949698	0	52	0.0	-63.52	430.72	1.93	-61.59
CC(CNC(=O)C[NH+]1CC2CC2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949710	0	49	0.0	-60.76	399.20	2.64	-58.12
CC(CNC(=O)CC1([NH+]2CCCC2)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949721	0	55	0.0	-59.26	427.84	3.43	-55.83
CC(CNC(=O)C1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949752	0	51	0.0	-59.88	396.53	2.20	-57.68
CC(CNC(=O)C1CCCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949752	1	51	0.0	-58.87	405.82	2.36	-56.51
CC(CNC(=O)C=C1CC[N@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949847	0	49	0.0	-67.15	402.72	2.29	-64.86
CC(CNC(=O)C=C1CC[N@@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949847	1	49	0.0	-67.43	401.76	2.31	-65.12
CC(CNC(=O)CNC1=CC=[NH+]C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949852	0	47	0.0	-61.46	399.57	0.03	-61.43
CC(CNC(=O)CN=[N+]=[N-])N(C)C(=O)CSC1=NC(=O)NN1	REAL300024949892	0	38	0.0	-21.46	340.84	-3.65	-25.11
CC[NH+]1CCN(CC(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024949899	0	56	0.0	-63.79	440.63	0.94	-62.85
CC(CNC(=O)C=C1C[NH+]2CCC1CC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949902	0	53	0.0	-64.26	420.01	3.14	-61.12
CC(CNC(=O)C1([NH+](C)C)CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949932	0	54	0.0	-58.63	415.00	2.97	-55.66
CCC1C[NH+](CC(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024949942	1	51	0.0	-62.04	416.52	2.62	-59.42
CC(CNC(=O)C1([NH+]2CCCC2)CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949945	0	55	0.0	-55.85	423.87	3.47	-52.38
CC(CNC(=O)[C@@H]1CCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949956	0	48	0.0	-60.41	383.86	1.31	-59.10
CC(CNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949956	1	48	0.0	-59.29	389.67	1.77	-57.52
CC(CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950077	0	51	0.0	-63.47	413.40	2.48	-60.99
CC(CNC(=O)C1CCC([NH+](C)C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950088	0	57	0.0	-63.98	442.69	3.58	-60.40
CC(CNC(=O)C1(CC[NH+](C)C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950089	0	54	0.0	-62.14	439.82	2.95	-59.19
CC(CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950090	0	57	0.0	-62.67	436.14	3.44	-59.23
CC(CNC(=O)CC1CC=CC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950091	0	52	0.0	-63.37	415.08	2.82	-60.55
CC(CNC(=O)CC1CC=CC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950091	1	52	0.0	-63.37	415.08	2.82	-60.55
CC(CNC(=O)COCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950141	0	51	0.0	-64.20	419.73	1.82	-62.38
CC(CNC(=O)CN1C=CSC1=[NH2+])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950178	0	44	0.0	-58.62	390.94	0.94	-57.68
CC(CNC(=O)[C@@H](C)OCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950242	0	54	0.0	-63.27	439.54	2.50	-60.77
CC(CNC(=O)CC[NH+]1CCCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950272	0	57	0.0	-63.48	437.89	3.38	-60.10
CC(CNC(=O)C1CCC[N@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950277	0	51	0.0	-63.15	408.45	2.38	-60.77
CC(CNC(=O)C1CCC[N@@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950277	1	51	0.0	-63.15	408.45	2.38	-60.77
CC(CNC(=O)C[NH+]1CCCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950278	0	54	0.0	-60.55	414.93	2.82	-57.73
CC(CNC(=O)C[N+]1=CN(C)C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950283	0	46	0.0	-60.47	395.09	4.28	-56.19
CC(CNC(=O)C1=CC=C(CN(C)C)O1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950298	0	51	0.0	-61.99	428.46	2.56	-59.43
CC(CNC(=O)C1=CC=C(C[NH+](C)C)O1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950298	1	51	0.0	-61.99	428.46	2.56	-59.43
CC(CNC(=O)CN1CCC(O)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950313	0	52	0.0	-64.52	416.69	-0.72	-65.24
CC(CNC(=O)C[NH+]1CCC(O)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950313	1	52	0.0	-64.52	416.69	-0.72	-65.24
CC(CNC(=O)C[N@H+](C)C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950317	0	48	0.0	-59.43	393.28	2.16	-57.27
CC(CNC(=O)C(C)N1CCN(C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950319	0	56	0.0	-65.08	437.13	0.59	-64.49
CC(CNC(=O)C(C)N1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950319	1	56	0.0	-65.08	437.13	0.59	-64.49
CC(CNC(=O)CC[N@@H+]1CCC(F)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950321	0	51	0.0	-65.38	418.45	2.57	-62.81
CC(CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024950343	0	53	0.0	-64.93	421.04	2.76	-62.17
CC(CNC(=O)C1CC[N@@H+]2CCOCC12)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950355	0	53	0.0	-61.31	419.00	1.07	-60.24
CC(CNC(=O)C1CC[N@H+]2CCOCC12)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950355	1	53	0.0	-61.31	419.00	1.07	-60.24
CC(CNC(=O)CC1COCCN1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950371	0	52	0.0	-60.39	407.00	0.44	-59.95
CC(CNC(=O)CC1COCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950371	1	52	0.0	-60.44	406.98	0.44	-60.00
CC(CNC(=O)CC1COCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950371	1	52	0.0	-60.44	406.98	0.44	-60.00
CC(CNC(=O)C[N@@H+]1CCC(C)(O)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950462	0	52	0.0	-61.32	420.27	-0.84	-62.16
CC(CNC(=O)CC1C[NH+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950492	0	48	0.0	-64.02	395.30	1.59	-62.43
CC(CNC(=O)C1CC[N@@H+]1C1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950496	0	55	0.0	-59.46	429.15	3.20	-56.26
CC(CNC(=O)CC[N@H+](C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950528	0	51	0.0	-63.14	414.29	-1.26	-64.40
CC(CNC(=O)CC[N@@H+](C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950528	1	51	0.0	-63.14	414.29	-1.26	-64.40
CC(CNC(=O)CC1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950546	0	54	0.0	-57.67	415.61	2.83	-54.84
CC(CNC(=O)CC1CCCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950546	1	54	0.0	-57.67	415.61	2.83	-54.84
CC(CNC(=O)C(C)N1CC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950563	0	51	0.0	-59.22	413.07	2.43	-56.79
CC(CNC(=O)C(C)[NH+]1CC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950563	1	51	0.0	-59.22	413.07	2.43	-56.79
CC(CNC(=O)CN1CCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950565	0	48	0.0	-60.21	395.21	1.84	-58.37
CC(CNC(=O)C[N@@H+]1CCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950565	1	48	0.0	-60.03	395.14	1.88	-58.15
CC(CNC(=O)C[N@H+]1CCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950565	1	48	0.0	-60.03	395.14	1.88	-58.15
CC(CNC(=O)C=CC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950576	0	48	0.0	-66.70	401.08	2.01	-64.69
CC1=C(C)NC(CCC(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024950599	0	52	0.0	-57.87	434.11	2.05	-55.82
CC1=C(C)[NH+]=C(CCC(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024950599	1	52	0.0	-57.87	434.11	2.05	-55.82
CC(CNC(=O)CSCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950616	0	51	0.0	-67.78	430.75	2.70	-65.08
CC(CNC(=O)C[N@@H+]1CCCC1CO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950638	0	52	0.0	-60.40	413.47	-1.18	-61.58
CC[NH+](CC)CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950642	0	50	0.0	-59.91	395.44	1.85	-58.06
CC(CNC(=O)CN1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950652	0	45	0.0	-61.57	373.95	1.19	-60.38
CC(CNC(=O)C[NH+]1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950652	1	45	0.0	-61.57	373.95	1.19	-60.38
CC[NH+](CC)CCC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950690	0	53	0.0	-62.02	421.80	2.67	-59.35
CC(CNC(=O)C1=CC(C[NH+](C)C)=CN1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950744	0	52	0.0	-65.91	430.27	2.08	-63.83
CC(CNC(=O)C1CC2COCC[N@@H+]2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950764	0	53	0.0	-61.61	422.25	1.13	-60.48
CC(CNC(=O)C1CC2COCC[N@H+]2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950764	1	53	0.0	-61.61	422.25	1.13	-60.48
CC(CNC(=O)C(C)N1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950774	0	48	0.0	-59.50	393.88	1.69	-57.81
CC(CNC(=O)C(C)[NH+]1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950774	1	48	0.0	-59.50	393.88	1.69	-57.81
CCC(CC(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024950779	0	56	0.0	-62.26	439.09	3.38	-58.88
CC(CNC(=O)C(C)(C)C[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950787	0	53	0.0	-61.19	411.38	2.46	-58.73
CC(CNC(=O)[C@H]1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950837	0	51	0.0	-59.92	396.52	2.18	-57.74
CC(CNC(=O)C1C[N@@H+]2CCN1CC2C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950849	0	54	0.0	-62.26	416.70	-0.25	-62.51
CC(CNC(=O)CC(O)C[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950869	0	51	0.0	-67.16	416.56	-0.23	-67.39
CC(CNC(=O)C1CC2CCC(C1)[NH+]2C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950871	0	55	0.0	-58.38	406.50	3.26	-55.12
C=CCC(C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024950899	0	51	0.0	-58.84	407.52	2.25	-56.59
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950905	0	55	0.0	-59.75	431.37	3.44	-56.31
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950905	1	55	0.0	-59.75	431.37	3.44	-56.31
CC(CNC(=O)C1(C)CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950916	0	54	0.0	-62.48	421.13	2.83	-59.65
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CSC(N)=[NH2+]	REAL300024950941	0	42	0.0	-68.80	371.80	-2.29	-71.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC([NH+](C)C)CC1	REAL300024950977	0	57	0.0	-69.73	437.76	3.24	-66.49
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1(CC[NH+](C)C)CC1	REAL300024950978	0	54	0.0	-63.84	434.30	3.00	-60.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024950979	0	57	0.0	-67.67	431.25	3.10	-64.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CC=CC[N@@H+]1C	REAL300024950980	0	52	0.0	-60.54	410.03	2.73	-57.81
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CC=CC[N@H+]1C	REAL300024950980	1	52	0.0	-69.28	415.19	2.78	-66.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H](C)OCC[NH+](C)C	REAL300024951001	0	54	0.0	-65.29	434.46	2.22	-63.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300024951024	0	55	0.0	-61.77	383.96	2.89	-58.88
CCC1C[NH+](CC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024951114	0	51	0.0	-68.32	416.51	2.53	-65.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1([NH+]2CCCC2)CCC1	REAL300024951116	0	55	0.0	-66.21	418.03	2.92	-63.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024951123	0	48	0.0	-64.56	379.97	1.28	-63.28
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024951123	1	48	0.0	-65.21	389.20	1.58	-63.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[N@@H+]1CCC(F)C1	REAL300024951130	0	51	0.0	-72.84	417.91	2.48	-70.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[N@H+]1CCC(F)C1	REAL300024951130	1	51	0.0	-73.75	418.07	2.53	-71.22
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[NH+]1CCCCCC1	REAL300024951144	0	57	0.0	-70.72	437.90	3.36	-67.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCCCC1	REAL300024951146	0	51	0.0	-67.01	405.69	2.56	-64.45
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@H+](C)C1C	REAL300024951154	0	51	0.0	-66.42	409.80	2.12	-64.30
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@@H+](C)C1C	REAL300024951154	1	51	0.0	-66.42	409.16	2.06	-64.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC1CCCC[N@@H+]1C	REAL300024951156	0	57	0.0	-68.38	437.83	3.47	-64.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC1CCCC[N@H+]1C	REAL300024951156	1	57	0.0	-65.57	444.91	3.66	-61.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@@H+]2CCOCC12	REAL300024951177	0	53	0.0	-64.18	412.28	1.04	-63.14
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@H+]2CCOCC12	REAL300024951177	1	53	0.0	-65.64	414.71	0.94	-64.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1COCC[N@@H+]1C	REAL300024951193	1	52	0.0	-66.55	406.98	0.40	-66.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1COCC[N@H+]1C	REAL300024951193	1	52	0.0	-73.53	414.59	0.54	-72.99
CC1=C(C)[NH+]=C(CCC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024951200	1	52	0.0	-62.55	434.09	2.01	-60.54
CCOCC(N=[N+]=[N-])C(=O)N(C)C(C)CNC(=O)CSC1=NC(=O)NN1	REAL300024951204	0	48	0.0	-22.29	413.78	-3.16	-25.45
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CSCC[NH+](C)C	REAL300024951268	0	51	0.0	-71.95	430.77	2.69	-69.26
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2COCC[N@@H+]2C1	REAL300024951274	0	53	0.0	-69.13	419.13	0.86	-68.27
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC2COCC[N@H+]2C1	REAL300024951274	1	53	0.0	-67.50	418.74	0.91	-66.59
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C	REAL300024951429	0	54	0.0	-64.89	425.80	1.69	-63.20
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300024951429	1	54	0.0	-64.90	425.80	1.69	-63.21
CC1=[NH+]C=CN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024951580	1	52	0.0	-64.63	428.74	2.31	-62.32
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024951598	0	57	0.0	-67.62	442.91	1.96	-65.66
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024951598	1	57	0.0	-69.12	449.22	2.17	-66.95
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCC1	REAL300024951615	0	57	0.0	-68.68	438.90	2.82	-65.86
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCC1	REAL300024951625	0	57	0.0	-67.05	453.95	2.68	-64.37
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCC1	REAL300024951625	1	57	0.0	-66.86	453.64	2.67	-64.19
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024951646	0	57	0.0	-71.83	452.61	2.36	-69.47
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024951652	0	57	0.0	-64.79	449.58	2.35	-62.44
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024951652	1	57	0.0	-66.10	427.42	1.98	-64.12
CC1=C[NH+]=CN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024951669	1	52	0.0	-68.34	436.27	3.01	-65.33
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300024951678	0	57	0.0	-69.83	453.87	2.29	-67.54
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300024951678	1	57	0.0	-69.04	446.30	2.25	-66.79
CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C)[NH+](C)C	REAL300024951681	0	56	0.0	-66.48	428.50	1.65	-64.83
CCC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024951697	0	56	0.0	-69.03	446.65	2.11	-66.92
CCC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024951697	1	56	0.0	-69.07	447.35	2.11	-66.96
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024951711	0	54	0.0	-65.44	433.15	1.82	-63.62
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300024951711	1	54	0.0	-68.81	416.49	1.08	-67.73
CC[NH+](CC)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024951723	0	56	0.0	-66.57	437.86	2.13	-64.44
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CC1	REAL300024951775	0	57	0.0	-63.88	457.17	2.96	-60.92
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024951796	0	57	0.0	-71.83	452.61	2.36	-69.47
CC[N@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024951833	0	56	0.0	-68.99	439.41	1.91	-67.08
CC[N@@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024951833	1	56	0.0	-69.44	447.49	1.91	-67.53
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300024951841	0	57	0.0	-65.71	446.09	2.09	-63.62
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1C	REAL300024951841	1	57	0.0	-66.16	452.68	2.46	-63.70
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300024951842	0	57	0.0	-68.23	444.68	2.36	-65.87
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)C1	REAL300024951842	1	57	0.0	-68.13	445.55	2.33	-65.80
CC[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C)[NH+](C)C	REAL300024951844	0	56	0.0	-65.76	429.97	1.69	-64.07
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+](C)C	REAL300024951875	0	50	0.0	-69.48	407.53	0.70	-68.78
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N+]1=CN(C)C=C1	REAL300024951876	0	52	0.0	-66.25	430.55	4.20	-62.05
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C)C1	REAL300024951879	0	57	0.0	-67.84	443.88	2.31	-65.53
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C)C1	REAL300024951879	1	57	0.0	-62.95	437.65	2.50	-60.45
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCC1	REAL300024951886	1	54	0.0	-66.12	437.52	1.71	-64.41
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CC1	REAL300024951894	0	54	0.0	-66.53	428.72	2.10	-64.43
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CC1	REAL300024951894	1	54	0.0	-66.97	437.74	2.11	-64.86
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300024951904	0	54	0.0	-68.31	439.42	1.55	-66.76
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024951915	0	53	0.0	-66.50	417.21	1.10	-65.40
CC(C)CC(CNC(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300024951922	0	44	0.0	-23.17	384.38	-3.72	-26.89
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024951953	0	53	0.0	-66.50	417.21	1.10	-65.40
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024951956	0	57	0.0	-66.28	438.17	2.17	-64.11
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024951956	1	57	0.0	-66.03	440.40	2.16	-63.87
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC1	REAL300024951981	1	51	0.0	-68.44	409.45	1.11	-67.33
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@H+](C)C1	REAL300024951988	0	55	0.0	-70.92	445.44	2.29	-68.63
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300024951988	1	55	0.0	-69.99	437.18	2.26	-67.73
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)[NH+](C)C	REAL300024952005	0	53	0.0	-66.83	425.43	1.08	-65.75
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)C1	REAL300024952019	1	54	0.0	-68.69	438.66	1.81	-66.88
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCO	REAL300024952032	1	54	0.0	-69.45	427.33	-1.88	-71.33
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCO	REAL300024952032	1	54	0.0	-68.79	435.26	-1.89	-70.68
CC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024952044	0	53	0.0	-68.71	425.75	1.38	-67.33
CC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024952044	1	53	0.0	-68.56	416.97	1.35	-67.21
CC[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C)C1CC1	REAL300024952054	0	57	0.0	-65.13	452.83	2.53	-62.60
CC[N@@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C)C1CC1	REAL300024952054	1	57	0.0	-67.18	440.71	2.59	-64.59
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300024952073	0	54	0.0	-72.04	443.38	1.90	-70.14
CC[N@@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024952090	1	54	0.0	-66.34	423.15	1.56	-64.78
CC[N@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024952090	1	54	0.0	-66.18	431.69	1.34	-64.84
C=CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C)[NH+](C)C	REAL300024952109	0	57	0.0	-65.98	441.78	2.14	-63.84
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC2CC2C1	REAL300024952116	0	55	0.0	-68.79	434.65	2.57	-66.22
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+](C)C	REAL300024952121	0	56	0.0	-68.89	433.86	1.85	-67.04
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024952131	0	57	0.0	-64.79	449.58	2.35	-62.44
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024952131	1	57	0.0	-66.10	427.42	1.98	-64.12
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CC1	REAL300024952163	0	54	0.0	-68.23	418.59	2.45	-65.78
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300024952164	0	57	0.0	-68.44	447.64	2.41	-66.03
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024952174	0	55	0.0	-67.32	430.96	1.89	-65.43
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@H+]2C	REAL300024952174	1	55	0.0	-68.23	429.53	2.05	-66.18
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)C[NH+](C)C	REAL300024952208	0	56	0.0	-69.15	446.07	1.96	-67.19
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CC(C)C1	REAL300024952227	1	57	0.0	-65.77	456.98	2.42	-63.35
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC1C	REAL300024952228	1	54	0.0	-66.92	430.57	1.80	-65.12
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC1C	REAL300024952228	1	54	0.0	-66.44	425.12	1.52	-64.92
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024952256	0	57	0.0	-69.06	449.04	2.41	-66.65
CC(C)CC(CNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952416	0	54	0.0	-65.99	419.34	1.24	-64.75
CC(C)CC(CNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952416	1	54	0.0	-66.08	427.99	1.27	-64.81
CC(C)CC(CNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952583	0	57	0.0	-68.70	453.77	2.31	-66.39
CC(C)CC(CNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952583	1	57	0.0	-69.16	445.85	2.28	-66.88
CCC(C(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024952586	0	56	0.0	-65.15	438.26	1.69	-63.46
CCC[N@H+](C)CC(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952598	0	56	0.0	-67.17	446.79	2.13	-65.04
CCC[N@@H+](C)CC(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952598	1	56	0.0	-67.12	438.54	2.09	-65.03
CC(C)CC(CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952634	0	57	0.0	-64.56	455.44	2.60	-61.96
CC[N@H+](C)CCC(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952639	0	56	0.0	-67.93	439.41	1.91	-66.02
CC[N@@H+](C)CCC(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952639	1	56	0.0	-67.86	447.65	1.93	-65.93
CC(C)CC(CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952661	0	57	0.0	-68.89	443.89	2.34	-66.55
CC(C)CC(CNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952693	0	57	0.0	-66.27	438.26	2.27	-64.00
CC(C)CC(CNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952715	0	57	0.0	-64.44	453.31	2.52	-61.92
CC(C)CC(CNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952715	1	57	0.0	-63.92	438.02	2.06	-61.86
CC(C)CC(CNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952732	0	57	0.0	-66.30	444.88	2.43	-63.87
CC(C)CC(CNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952732	1	57	0.0	-66.80	452.95	2.44	-64.36
CC[C@@H](C(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024952734	0	56	0.0	-64.83	429.55	1.71	-63.12
CC1=[NH+]C=CN1CC(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952769	1	52	0.0	-64.47	436.99	2.33	-62.14
CC1=C[NH+]=CN1CC(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952787	1	52	0.0	-66.87	428.03	2.99	-63.88
CC(C)CC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952788	0	57	0.0	-67.76	436.89	1.90	-65.86
CC(C)CC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952788	1	57	0.0	-68.27	450.70	1.92	-66.35
CC(C)CC(CNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952815	0	57	0.0	-65.92	453.51	2.68	-63.24
CC(C)CC(CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952815	1	57	0.0	-65.16	445.53	2.66	-62.50
CC(C)CC(CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952820	0	57	0.0	-68.89	443.89	2.34	-66.55
CC(C)CC(CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952832	0	54	0.0	-64.20	424.39	1.74	-62.46
CC(C)CC(CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952832	1	54	0.0	-66.12	427.47	1.26	-64.86
CC(C)CC(CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952872	0	57	0.0	-64.01	441.25	2.28	-61.73
CC(C)CC(CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952872	1	57	0.0	-64.00	441.27	2.28	-61.72
CC(C)CC(CNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952900	0	57	0.0	-66.68	439.50	1.83	-64.85
CC(C)CC(CNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952900	1	57	0.0	-66.25	448.59	1.90	-64.35
CC(C)CC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952937	0	53	0.0	-65.66	417.42	1.08	-64.58
CC(C)CC(CNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952954	0	57	0.0	-67.37	447.64	2.42	-64.95
CC(C)CC(CNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952959	1	54	0.0	-67.63	435.64	-1.85	-69.48
CC(C)CC(CNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952959	1	54	0.0	-67.07	427.17	-1.88	-68.95
CC(C)CC(CNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952997	1	54	0.0	-67.00	439.11	1.84	-65.16
CC[N@H+](C)CC(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953026	0	53	0.0	-67.34	425.12	1.37	-65.97
CC[N@@H+](C)CC(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953026	1	53	0.0	-67.24	425.12	1.36	-65.88
CC[N@H+](CC(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024953079	0	57	0.0	-63.64	444.56	2.49	-61.15
CC[N@@H+](CC(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024953079	1	57	0.0	-64.34	445.69	2.71	-61.63
CC(C)CC(CNC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953091	0	55	0.0	-66.70	438.44	1.76	-64.94
CC(C)CC(CNC(=O)C12CC(C1)C[N@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953091	1	55	0.0	-65.35	429.52	2.06	-63.29
CC(C)CC(CNC(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953100	0	56	0.0	-63.94	437.51	2.04	-61.90
CC(C)CC(CNC(=O)C1([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953106	0	54	0.0	-66.03	431.60	1.64	-64.39
CC(C)CC(CNC(=O)[C@@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953115	0	53	0.0	-65.89	425.56	1.13	-64.76
CC[N@@H+]1CCC1C(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953118	1	54	0.0	-64.89	424.13	1.41	-63.48
CC[N@H+]1CCC1C(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953118	1	54	0.0	-65.63	430.94	1.71	-63.92
CC(C)CC(CNC(=O)C1=C[NH+]=CC=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953128	0	50	0.0	-65.84	415.50	-0.86	-66.70
CC(C)CC(CNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953134	0	56	0.0	-66.11	435.02	1.88	-64.23
CC(C)CC(CNC(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953195	0	55	0.0	-66.77	434.65	2.57	-64.20
CC(C)CC(CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953201	0	57	0.0	-64.01	441.25	2.28	-61.73
CC(C)CC(CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953201	1	57	0.0	-64.00	441.27	2.28	-61.72
CC(C)CC(CNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953222	0	55	0.0	-70.38	438.16	2.22	-68.16
CC(C)CC(CNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953222	1	55	0.0	-70.71	437.20	2.24	-68.47
CC(C)CC(CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024953229	0	44	0.0	-22.36	376.28	-3.72	-26.08
CCC1C[NH+](CC(=O)NCC(CC(C)C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024953243	1	57	0.0	-67.68	460.50	2.60	-65.08
CC(C)CC(CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953248	0	54	0.0	-66.69	427.81	1.25	-65.44
CC(C)CC(CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953248	1	54	0.0	-65.15	433.50	1.71	-63.44
CC(C)CC(CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953281	0	57	0.0	-67.33	457.11	2.45	-64.88
CC(C)CC(CNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953319	0	57	0.0	-66.71	450.08	2.62	-64.09
CC(C)CC(CNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953320	0	57	0.0	-62.75	437.59	2.50	-60.25
CC(C)CC(CNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953320	1	57	0.0	-62.93	437.63	2.50	-60.43
CC(C)CC(CNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953321	0	52	0.0	-65.40	430.54	4.20	-61.20
CC(C)CC(CNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953331	0	54	0.0	-64.90	428.72	2.10	-62.80
CC(C)CC(CNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953331	1	54	0.0	-65.02	428.72	2.10	-62.92
CC(C)CC(CNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953380	0	54	0.0	-68.15	430.75	1.50	-66.65
CC(C)CC(CNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953386	0	50	0.0	-67.68	407.56	0.72	-66.96
CC(C)CC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953394	0	53	0.0	-65.66	417.42	1.08	-64.58
CC(C)CC(CNC(=O)C(C)[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953408	1	57	0.0	-64.53	448.51	2.37	-62.16
CC(C)CC(CNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953409	1	54	0.0	-65.72	430.65	1.77	-63.95
CC(C)CC(CNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953409	1	54	0.0	-66.05	438.67	1.80	-64.25
CC(C)CC(CNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953411	0	54	0.0	-70.71	436.54	1.93	-68.78
CC[NH+](CC)CC(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953427	0	56	0.0	-65.25	443.31	2.08	-63.17
CC(C)CC(CNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953432	1	51	0.0	-67.93	417.92	1.12	-66.81
CC(C)CC(CNC(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953471	1	54	0.0	-65.07	429.31	1.62	-63.45
CC(C)CC(CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953492	0	57	0.0	-63.99	441.28	2.28	-61.71
CC(C)CC(CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953492	1	57	0.0	-65.55	440.09	2.10	-63.45
C=CCC(C(=O)NCC(CC(C)C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024953511	0	57	0.0	-64.27	442.98	2.16	-62.11
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC(N)=[NH2+]	REAL300024953532	0	48	0.0	-68.64	407.84	-2.44	-71.08
CCC1C[NH+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)CC(C)C)C1	REAL300024953581	1	57	0.0	-69.60	460.37	2.56	-67.04
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024953585	0	54	0.0	-68.50	427.11	1.22	-67.28
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024953585	1	54	0.0	-65.79	433.56	1.76	-64.03
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCC1	REAL300024953591	0	57	0.0	-68.45	449.13	2.55	-65.90
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300024953595	0	57	0.0	-68.56	435.91	1.67	-66.89
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300024953595	1	57	0.0	-67.26	445.15	2.27	-64.99
C[NH+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024953732	0	54	0.0	-69.81	421.34	2.07	-67.74
C[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1)[NH+](C)C	REAL300024953737	0	57	0.0	-66.77	441.09	2.16	-64.61
[N-]=[N+]=NCC(=O)NC(CNC(=O)CSC1=NC(=O)NN1)C1CCCCC1	REAL300024953740	0	48	0.0	-22.80	398.84	-2.23	-25.03
C[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1)[NH+](C)C	REAL300024953750	0	57	0.0	-66.77	441.09	2.16	-64.61
C[C@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1)[NH+](C)C	REAL300024953763	0	57	0.0	-66.74	441.11	2.17	-64.57
CC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024953775	0	57	0.0	-68.94	440.72	2.43	-66.51
CC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024953775	1	57	0.0	-68.72	440.72	2.43	-66.29
C[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1)[NH+](C)C	REAL300024953912	0	57	0.0	-66.22	439.23	2.47	-63.75
CC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024953931	0	57	0.0	-67.32	440.72	2.42	-64.90
CC[N@@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024953931	1	57	0.0	-67.46	439.06	2.72	-64.74
C[C@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1)[NH+](C)C	REAL300024953944	0	57	0.0	-66.30	439.49	2.45	-63.85
[N-]=[N+]=NCC(=O)NCC(NC(=O)CSC1=NC(=O)NN1)C1CCCCC1	REAL300024953968	0	48	0.0	-22.49	398.84	-2.23	-24.72
C[NH+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024953995	0	54	0.0	-68.20	422.99	1.76	-66.44
C[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1)[NH+](C)C	REAL300024953998	0	57	0.0	-66.22	439.23	2.47	-63.75
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[NH+]1CCC1)C1CCCCC1	REAL300024954005	1	55	0.0	-67.64	433.09	2.18	-65.46
CC1CN(C(=O)C2CCC[N@@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954200	0	52	0.0	-66.14	404.62	2.79	-63.35
CC1CN(C(=O)C2CCC[N@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954200	1	52	0.0	-66.02	404.57	2.78	-63.24
CC1CN(C(=O)C2C[N@H+](C)CCO2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954224	1	53	0.0	-85.51	420.46	1.92	-83.59
CC1CN(C(=O)C2C[N@@H+](C)CCO2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954224	1	53	0.0	-85.65	420.27	1.90	-83.75
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954363	1	50	0.0	-67.27	415.14	3.21	-64.06
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@@H+]1C	REAL300024954381	0	55	0.0	-72.60	417.82	2.96	-69.64
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@H+]1C	REAL300024954381	1	55	0.0	-72.09	428.01	2.85	-69.24
CC1CN(C(=O)C2([NH+](C)C)CCC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954401	0	55	0.0	-70.82	407.53	2.99	-67.83
CC(C)[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024954403	0	57	0.0	-68.67	429.71	3.12	-65.55
CC1CN(C(=O)C[N@H+](C)C2CCC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954412	0	55	0.0	-68.26	432.90	3.62	-64.64
CC1CN(C(=O)C[N@@H+](C)C2CCC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954412	1	55	0.0	-67.62	428.87	4.01	-63.61
CC1CN(C(=O)C2CC[NH+](C)CC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954436	0	55	0.0	-73.94	430.82	3.21	-70.73
CC1CN(C(=O)C2CCCC[N@@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954442	0	55	0.0	-66.39	426.47	3.17	-63.22
CC1CN(C(=O)C2CCCC[N@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954442	1	55	0.0	-65.48	422.52	3.56	-61.92
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954459	1	50	0.0	-69.77	415.46	3.94	-65.83
CC1CN(C(=O)CC2CC[N@H+](C)C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954469	0	55	0.0	-72.40	433.39	3.31	-69.09
CC1CN(C(=O)CC2CC[N@@H+](C)C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954469	1	55	0.0	-71.27	429.98	3.68	-67.59
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024954472	0	54	0.0	-68.45	417.65	2.73	-65.72
CC1CN(C(=O)CCCC[NH+](C)C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954486	0	57	0.0	-71.78	448.14	4.21	-67.57
CC(C)C(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024954489	0	57	0.0	-67.16	422.51	3.42	-63.74
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954490	0	57	0.0	-72.74	448.34	3.66	-69.08
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954490	1	57	0.0	-71.76	444.38	4.03	-67.73
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954491	0	54	0.0	-70.56	425.94	3.06	-67.50
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954491	1	54	0.0	-70.47	425.94	3.05	-67.42
CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954506	0	52	0.0	-66.72	404.83	2.86	-63.86
CC1CN(C(=O)[C@H]2CCC[N@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954506	1	52	0.0	-67.30	401.33	2.57	-64.73
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954518	0	54	0.0	-68.53	418.16	2.72	-65.81
CC1CN(C(=O)C2(C[NH+](C)C)CC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954572	0	55	0.0	-68.37	429.81	3.51	-64.86
CC1CN(C(=O)C2CC[NH+](C)CC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954594	0	55	0.0	-73.94	430.82	3.21	-70.73
CC(C)[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024954609	0	57	0.0	-67.99	426.54	3.78	-64.21
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954636	0	54	0.0	-72.02	426.85	2.91	-69.11
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954636	1	54	0.0	-72.08	426.85	2.91	-69.17
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954646	0	55	0.0	-66.70	427.69	3.69	-63.01
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954646	1	55	0.0	-67.56	432.07	3.44	-64.12
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300024954647	0	55	0.0	-68.60	428.17	3.70	-64.90
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300024954647	1	55	0.0	-68.76	428.82	3.75	-65.01
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024954649	0	54	0.0	-67.08	413.51	2.50	-64.58
CC1CN(C(=O)C[NH+](C)C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954685	0	48	0.0	-70.30	382.78	2.03	-68.27
CC1CN(C(=O)C[N+]2=CN(C)C=C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954686	0	50	0.0	-68.15	417.98	5.15	-63.00
CC1CN(C(=O)C2CCC[N@H+](C)C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954689	0	55	0.0	-71.00	420.73	3.05	-67.95
CC1CN(C(=O)C2CCC[N@@H+](C)C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954689	1	55	0.0	-76.53	430.67	3.17	-73.36
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+]1CCC1	REAL300024954696	1	52	0.0	-67.64	405.55	2.18	-65.46
CC1CN(C(=O)C(C)(C)C[NH+](C)C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954699	0	57	0.0	-69.91	423.48	2.72	-67.19
CC1CN(C(=O)C[N@H+](C)C2CC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954706	0	52	0.0	-67.39	412.19	3.44	-63.95
CC1CN(C(=O)C[N@@H+](C)C2CC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954706	1	52	0.0	-67.49	416.02	3.04	-64.45
CC1CN(C(=O)CC2C[NH+](C)C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954717	0	52	0.0	-71.93	417.85	2.42	-69.51
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024954729	0	51	0.0	-67.76	399.18	2.40	-65.36
CC1CN(C(=O)CN=[N+]=[N-])CCC1NC(=O)CSC1=NC(=O)NN1	REAL300024954736	0	42	0.0	-22.95	363.68	-2.76	-25.71
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024954767	0	51	0.0	-67.76	399.18	2.40	-65.36
CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954770	0	55	0.0	-66.37	426.48	3.17	-63.20
CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954770	1	55	0.0	-68.95	419.09	2.86	-66.09
CC1CN(C(=O)C[NH+]2CCC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954797	1	49	0.0	-70.62	397.05	2.11	-68.51
CC1CN(C(=O)C=C2CC[N@H+](C)C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954806	0	53	0.0	-74.13	424.49	3.19	-70.94
CC1CN(C(=O)C=C2CC[N@@H+](C)C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954806	1	53	0.0	-77.93	420.59	3.56	-74.37
C[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024954824	0	51	0.0	-67.79	398.63	2.38	-65.41
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300024954840	1	52	0.0	-70.53	418.02	2.72	-67.81
CC1CN(C(=O)C[N@H+](C)CCO)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954853	1	52	0.0	-70.91	414.80	-0.93	-71.84
CC1CN(C(=O)C[N@@H+](C)CCO)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954853	1	52	0.0	-70.58	414.59	-0.92	-71.50
CC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C[NH+](C)C	REAL300024954865	0	57	0.0	-71.30	439.80	4.10	-67.20
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954867	0	51	0.0	-70.19	404.45	2.31	-67.88
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954867	1	51	0.0	-70.16	404.44	2.31	-67.85
CC[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C1CC1	REAL300024954877	0	55	0.0	-66.62	435.35	3.67	-62.95
CC[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C1CC1	REAL300024954877	1	55	0.0	-67.95	424.13	3.93	-64.02
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954883	0	57	0.0	-70.10	440.73	3.99	-66.11
CC1CN(C(=O)C[NH+]2CC(C)(C)C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954891	1	55	0.0	-69.61	433.17	3.58	-66.03
CC1CN(C(=O)C=CC[NH+](C)C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954898	0	52	0.0	-73.59	417.68	3.24	-70.35
CC(CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024954915	0	57	0.0	-73.14	436.42	3.80	-69.34
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954919	1	52	0.0	-68.63	413.46	2.92	-65.71
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024954919	1	52	0.0	-69.02	417.75	2.61	-66.41
C=CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024954940	0	55	0.0	-66.09	426.77	3.00	-63.09
CC1CN(C(=O)C[NH+]2CC3CC3C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954948	0	53	0.0	-69.40	418.24	3.92	-65.48
CCCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300024954953	0	57	0.0	-67.84	432.50	3.70	-64.14
CC1CN(C(=O)C(C)(C)[NH+](C)C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954955	0	54	0.0	-68.83	406.55	2.17	-66.66
CC1CN(C(=O)C2CCCC[N@@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954965	0	55	0.0	-66.39	426.47	3.17	-63.22
CC1CN(C(=O)C2CCCC[N@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954965	1	55	0.0	-65.48	422.52	3.56	-61.92
CC1CN(C(=O)C2([NH+](C)C)CC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024955001	0	52	0.0	-68.88	405.92	2.68	-66.20
CC1CN(C(=O)CC[NH+]2CCCC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024955002	0	55	0.0	-72.01	433.49	3.30	-68.71
CC1CN(C(=O)C23CC(C2)C[N@@H+]3C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024955012	0	53	0.0	-67.82	409.49	3.04	-64.78
CC1CN(C(=O)C23CC(C2)C[N@H+]3C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024955012	1	53	0.0	-67.48	409.56	3.16	-64.32
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024955047	0	54	0.0	-66.29	420.03	3.13	-63.16
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+]1CC(C)C1	REAL300024955067	0	55	0.0	-67.29	431.75	3.52	-63.77
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024955068	1	52	0.0	-68.29	412.54	2.45	-65.84
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024955068	1	52	0.0	-68.22	412.51	2.46	-65.76
CC1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024955099	0	55	0.0	-71.03	431.80	3.75	-67.28
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300024955100	0	57	0.0	-77.08	446.47	3.40	-73.68
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CCC[N@@H+]1C	REAL300024955269	0	52	0.0	-71.68	402.76	2.68	-69.00
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CCC[N@H+]1C	REAL300024955269	1	52	0.0	-71.64	402.74	2.68	-68.96
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1C[N@H+](C)CCO1	REAL300024955295	1	53	0.0	-76.94	413.08	2.42	-74.52
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1C[N@@H+](C)CCO1	REAL300024955295	1	53	0.0	-81.70	424.12	2.19	-79.51
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)CC1CC[N@H+](C)C1	REAL300024955445	0	55	0.0	-72.74	428.63	3.72	-69.02
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)CC1CC[N@@H+](C)C1	REAL300024955445	1	55	0.0	-72.58	429.76	3.71	-68.87
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024955448	0	54	0.0	-69.12	412.81	3.13	-65.99
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)CCCC[NH+](C)C	REAL300024955458	0	57	0.0	-72.96	448.13	4.26	-68.70
CC(C)C(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024955461	0	57	0.0	-70.87	429.81	3.94	-66.93
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024955462	0	57	0.0	-73.82	444.38	4.08	-69.74
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024955462	1	57	0.0	-73.15	448.34	3.68	-69.47
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024955463	0	54	0.0	-72.42	422.01	3.54	-68.88
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024955463	1	54	0.0	-72.52	422.00	3.55	-68.97
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1(C[NH+](C)C)CC1	REAL300024955502	0	55	0.0	-76.09	431.06	4.06	-72.03
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024955508	0	54	0.0	-73.10	422.89	3.34	-69.76
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024955508	1	54	0.0	-73.03	422.88	3.35	-69.68
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CC[NH+](C)CC1	REAL300024955530	0	55	0.0	-75.13	431.30	3.41	-71.72
CC(C)[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024955545	0	57	0.0	-70.03	435.83	3.93	-66.10
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1([NH+](C)C)CCC1	REAL300024955567	0	55	0.0	-67.48	416.27	3.73	-63.75
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024955591	0	55	0.0	-68.09	425.37	3.12	-64.97
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024955591	1	55	0.0	-68.92	421.45	3.51	-65.41
CC(C)[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024955602	0	57	0.0	-68.89	431.51	3.73	-65.16
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024955610	0	55	0.0	-71.79	428.84	3.88	-67.91
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024955610	1	55	0.0	-70.90	432.66	3.51	-67.39
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024955612	0	54	0.0	-68.30	416.99	2.80	-65.50
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024955649	1	50	0.0	-68.38	412.19	3.75	-64.63
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024955667	1	50	0.0	-71.64	411.48	4.45	-67.19
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@@H+]1C	REAL300024955668	0	55	0.0	-74.72	423.28	2.73	-71.99
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@H+]1C	REAL300024955668	1	55	0.0	-74.13	425.83	3.41	-70.72
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N@H+](C)C1CCC1	REAL300024955698	0	55	0.0	-69.77	432.96	3.74	-66.03
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N@@H+](C)C1CCC1	REAL300024955698	1	55	0.0	-70.18	428.87	4.12	-66.06
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CC[NH+](C)CC1	REAL300024955704	0	55	0.0	-75.13	431.30	3.41	-71.72
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024955717	0	52	0.0	-69.03	409.11	3.19	-65.84
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@H]1CCC[N@H+]1C	REAL300024955717	1	52	0.0	-71.73	402.79	2.68	-69.05
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CCCC[N@@H+]1C	REAL300024955760	0	55	0.0	-69.31	415.43	3.56	-65.75
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CCCC[N@H+]1C	REAL300024955760	1	55	0.0	-68.71	419.34	3.17	-65.54
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@@H+]1C	REAL300024955789	0	55	0.0	-72.44	423.86	3.59	-68.85
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@H+]1C	REAL300024955789	1	55	0.0	-69.33	432.54	3.31	-66.02
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024955830	0	51	0.0	-69.55	404.83	2.15	-67.40
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)CC[NH+]1CCCC1	REAL300024955848	0	55	0.0	-72.91	429.52	3.75	-69.16
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N@H+](C)CCO	REAL300024955853	1	52	0.0	-72.20	414.80	-0.82	-73.02
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N@@H+](C)CCO	REAL300024955853	1	52	0.0	-72.35	410.61	-0.42	-72.77
CC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024955896	1	52	0.0	-71.50	417.69	2.83	-68.67
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024955928	0	51	0.0	-72.01	400.52	2.80	-69.21
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024955928	1	51	0.0	-71.15	404.45	2.42	-68.73
CC(CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024955981	0	57	0.0	-70.77	440.15	3.88	-66.89
CC[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300024955986	0	55	0.0	-68.91	431.96	4.18	-64.73
CC[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300024955986	1	55	0.0	-68.66	433.08	3.73	-64.93
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024955999	0	53	0.0	-73.01	415.14	3.21	-69.80
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C12CC(C1)C[N@H+]2C	REAL300024955999	1	53	0.0	-72.34	418.75	2.95	-69.39
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024956008	0	54	0.0	-72.37	421.24	3.40	-68.97
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1([NH+](C)C)CC1	REAL300024956014	0	52	0.0	-74.81	405.62	3.27	-71.54
C[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024956024	0	51	0.0	-70.24	404.86	2.17	-68.07
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024956027	1	52	0.0	-70.95	414.39	3.14	-67.81
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024956027	1	52	0.0	-69.79	407.33	2.78	-67.01
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=C[NH+]=CC=C1N	REAL300024956038	0	48	0.0	-71.83	394.84	0.25	-71.58
CCCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024956042	0	57	0.0	-69.89	440.84	3.66	-66.23
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C(C)(C)[NH+](C)C	REAL300024956045	0	54	0.0	-73.79	405.96	3.16	-70.63
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024956054	0	57	0.0	-72.03	442.81	4.00	-68.03
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[NH+]1CC2CC2C1	REAL300024956113	0	53	0.0	-72.52	418.24	4.03	-68.49
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CCCC[N@@H+]1C	REAL300024956121	0	55	0.0	-69.31	415.43	3.56	-65.75
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CCCC[N@H+]1C	REAL300024956121	1	55	0.0	-68.71	419.34	3.17	-65.54
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C=C1CC[N@H+](C)C1	REAL300024956146	0	53	0.0	-74.03	424.61	3.32	-70.71
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C=C1CC[N@@H+](C)C1	REAL300024956146	1	53	0.0	-74.00	420.67	3.70	-70.30
CC1CN(C(=O)CSC2=NC(=O)NN2)CCC1NC(=O)CN=[N+]=[N-]	REAL300024956153	0	42	0.0	-22.99	359.76	-2.27	-25.26
CCC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300024956169	1	55	0.0	-72.43	439.10	3.58	-68.85
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024956174	0	52	0.0	-70.71	402.80	2.68	-68.03
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024956174	1	52	0.0	-68.91	408.84	3.17	-65.74
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024956214	0	55	0.0	-72.43	436.45	3.47	-68.96
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[NH+]1CCCCC1	REAL300024956255	0	55	0.0	-71.97	424.90	4.02	-67.95
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CCC[N@H+](C)C1	REAL300024956256	0	55	0.0	-66.45	421.12	3.95	-62.50
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CCC[N@@H+](C)C1	REAL300024956256	1	55	0.0	-71.38	431.25	3.36	-68.02
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N+]1=CN(C)C=C1	REAL300024956257	0	50	0.0	-68.64	417.95	5.26	-63.38
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N@H+](C)C1CC1	REAL300024956267	0	52	0.0	-70.13	412.20	3.54	-66.59
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N@@H+](C)C1CC1	REAL300024956267	1	52	0.0	-69.42	412.05	3.55	-65.87
CC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300024956275	0	57	0.0	-76.03	439.92	4.11	-71.92
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)CC1C[NH+](C)C1	REAL300024956324	0	52	0.0	-72.14	413.89	2.87	-69.27
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[NH+](C)C	REAL300024956331	0	48	0.0	-72.70	382.77	2.13	-70.57
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024956339	0	51	0.0	-69.55	404.83	2.15	-67.40
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CC(C)C1	REAL300024956353	1	55	0.0	-68.60	435.88	3.45	-65.15
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024956354	1	52	0.0	-69.99	408.58	2.93	-67.06
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024956354	1	52	0.0	-70.91	414.09	3.21	-67.70
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C=CC[NH+](C)C	REAL300024956356	0	52	0.0	-75.03	418.76	3.35	-71.68
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024956373	0	54	0.0	-70.60	414.36	3.22	-67.38
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024956396	0	57	0.0	-72.09	440.74	4.04	-68.05
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CCC1	REAL300024956424	1	52	0.0	-68.79	414.94	2.83	-65.96
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C(C)(C)C[NH+](C)C	REAL300024956428	0	57	0.0	-68.42	429.75	3.82	-64.60
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024956448	0	55	0.0	-67.56	428.67	3.35	-64.21
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024956448	1	55	0.0	-69.73	415.46	3.55	-66.18
C=CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300024956467	0	55	0.0	-69.61	433.34	3.42	-66.19
CC1CN(C(=O)CSC(N)=[NH2+])CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024956490	0	46	0.0	-71.03	390.70	-0.93	-71.96
CCC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300024956545	0	55	0.0	-71.43	439.39	3.49	-67.94
CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024956549	0	52	0.0	-68.18	405.32	2.17	-66.01
CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024956549	1	52	0.0	-71.40	407.70	2.92	-68.48
CC1CN(C(=O)C[NH+]2CCCCC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024956556	0	55	0.0	-69.02	424.52	3.90	-65.12
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@@H+]1C	REAL300024956560	0	55	0.0	-70.88	426.33	3.17	-67.71
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@H+]1C	REAL300024956560	1	55	0.0	-69.36	424.43	2.71	-66.65
C[N@@H+]1CCCC1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956706	0	55	0.0	-71.06	420.40	2.54	-68.52
C[N@H+]1CCCC1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956706	1	55	0.0	-71.40	419.86	2.55	-68.85
CCC(C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024956797	0	57	0.0	-68.49	426.98	2.90	-65.59
CCC[N@H+](C)CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956801	0	57	0.0	-72.45	440.55	3.43	-69.02
CCC[N@@H+](C)CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956801	1	57	0.0	-72.54	440.11	3.43	-69.11
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956807	0	55	0.0	-70.28	419.70	2.55	-67.73
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956807	1	55	0.0	-68.84	423.57	2.90	-65.94
CC[NH+](CC)CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956810	0	57	0.0	-70.53	436.88	3.37	-67.16
CC[N@H+](C)CCC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956850	0	57	0.0	-73.56	440.98	3.30	-70.26
CC[N@@H+](C)CCC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956850	1	57	0.0	-73.52	441.58	3.31	-70.21
CC[C@@H](C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024956853	0	57	0.0	-70.02	430.74	3.05	-66.97
C[NH+](C)CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956868	0	51	0.0	-72.75	400.88	2.02	-70.73
CC(C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024956872	1	55	0.0	-69.73	426.34	2.85	-66.88
C[N@H+](CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024956878	0	55	0.0	-69.27	430.12	3.42	-65.85
C[N@@H+](CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024956878	1	55	0.0	-69.84	430.71	3.42	-66.42
C[NH+]1CC(CC(=O)N2CCCCC2CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024956883	0	55	0.0	-72.32	432.30	2.90	-69.42
C[C@@H](C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024956890	0	54	0.0	-70.18	415.66	2.35	-67.83
[N-]=[N+]=NCC(=O)N1CCCCC1CCNC(=O)CSC1=NC(=O)NN1	REAL300024956893	0	45	0.0	-21.10	377.82	-2.39	-23.49
C[C@@H](C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024956908	0	54	0.0	-70.18	415.66	2.35	-67.83
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCCN1C(=O)C[NH+]1CCC1	REAL300024956924	1	52	0.0	-72.39	411.18	2.49	-69.90
C[C@H](C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024956932	0	54	0.0	-69.91	415.60	2.34	-67.57
CC1C[NH+](CC(=O)N2CCCCC2CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024956938	1	55	0.0	-72.30	432.58	3.12	-69.18
CC[N@H+](C)CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956952	0	54	0.0	-72.07	419.06	2.69	-69.38
CC[N@@H+](C)CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956952	1	54	0.0	-72.00	418.99	2.68	-69.32
C[NH+](C)CC=CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956966	0	55	0.0	-75.34	435.66	3.24	-72.10
CC[N@@H+]1CCC1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956971	1	55	0.0	-71.19	432.91	3.03	-68.16
CC[N@H+]1CCC1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024956971	1	55	0.0	-71.37	432.05	2.93	-68.44
CC(C[NH+](C)C)C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024957012	0	57	0.0	-67.90	434.06	3.11	-64.79
CC1CC[N@@H+]1CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024957020	1	55	0.0	-69.92	427.26	2.85	-67.07
CC1CC[N@H+]1CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024957020	1	55	0.0	-69.85	427.09	2.85	-67.00
C[N@@H+]1CCCC1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957127	0	55	0.0	-60.55	426.96	3.08	-57.47
C[N@H+]1CCCC1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957127	1	55	0.0	-61.15	427.64	3.19	-57.96
CCC(C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024957198	0	57	0.0	-61.13	431.24	3.15	-57.98
CCC[N@H+](C)CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957202	0	57	0.0	-63.59	440.54	3.53	-60.06
CCC[N@@H+](C)CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957202	1	57	0.0	-63.65	440.54	3.52	-60.13
CC[N@H+](C)CCC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957219	0	57	0.0	-65.82	441.58	3.33	-62.49
CC[N@@H+](C)CCC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957219	1	57	0.0	-65.79	441.58	3.34	-62.45
CC[C@@H](C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024957259	0	57	0.0	-61.31	431.15	3.16	-58.15
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957305	0	55	0.0	-62.53	421.29	2.67	-59.86
C[N@H+]1CCC[C@@H]1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957305	1	55	0.0	-61.14	426.48	3.19	-57.95
C[C@@H](C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024957359	0	54	0.0	-62.35	419.47	2.52	-59.83
CC1C[NH+](CC(=O)NCCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024957383	1	55	0.0	-63.84	431.57	3.28	-60.56
CC[N@H+](C)CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957401	0	54	0.0	-63.26	419.05	2.78	-60.48
CC[N@@H+](C)CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957401	1	54	0.0	-63.27	419.04	2.78	-60.49
CC(C[NH+](C)C)C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957431	0	57	0.0	-66.03	439.89	3.40	-62.63
C[NH+](C)C1(C(=O)NCCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024957434	0	55	0.0	-63.32	427.58	2.73	-60.59
C[C@H](C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024957438	0	54	0.0	-62.36	419.19	2.51	-59.85
CC[N@@H+]1CCC1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957441	1	55	0.0	-61.53	426.17	2.84	-58.69
CC[N@H+]1CCC1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957441	1	55	0.0	-62.39	433.07	3.15	-59.24
C[NH+](C)C(C)(C)C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957449	0	57	0.0	-62.52	428.59	3.32	-59.20
[N-]=[N+]=NCC(=O)NCCC1CCCCN1C(=O)CSC1=NC(=O)NN1	REAL300024957495	0	45	0.0	-21.30	378.45	-2.28	-23.58
C[N@@H+]1CCC[C@H]1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957508	0	55	0.0	-61.24	427.11	3.15	-58.09
C[N@H+]1CCC[C@H]1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957508	1	55	0.0	-62.93	421.10	2.66	-60.27
C[N@H+](CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024957545	0	55	0.0	-60.97	430.75	3.53	-57.44
C[N@@H+](CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024957545	1	55	0.0	-61.37	430.89	3.53	-57.84
C[NH+]1CC(CC(=O)NCCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024957573	0	55	0.0	-66.49	432.93	2.95	-63.54
C[NH+](C)CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957576	0	51	0.0	-64.27	401.49	2.12	-62.15
C[C@@H](C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024957579	0	54	0.0	-62.35	419.47	2.52	-59.83
CC1CC[N@@H+]1CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957586	1	55	0.0	-61.75	426.67	2.93	-58.82
CC1CC[N@H+]1CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957586	1	55	0.0	-62.45	432.69	3.20	-59.25
C[NH+](C)CC=CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957587	0	55	0.0	-69.67	438.71	3.38	-66.29
CC[NH+](CC)CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957593	0	57	0.0	-61.96	432.15	3.19	-58.77
O=C(C[NH+]1CCC1)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024957594	1	52	0.0	-63.85	411.41	2.54	-61.31
CC(C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024957616	1	55	0.0	-61.53	428.50	3.17	-58.36
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024957680	0	55	0.0	-68.76	423.42	2.82	-65.94
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024957680	1	55	0.0	-70.66	420.07	2.54	-68.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300024957797	0	55	0.0	-70.34	426.79	3.14	-67.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCC[N@H+]2C)C1	REAL300024957797	1	55	0.0	-70.29	420.97	2.77	-67.52
CCC(C(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024957897	0	57	0.0	-72.05	429.33	3.02	-69.03
CCC[N@H+](C)CC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024957902	0	57	0.0	-73.64	444.24	3.72	-69.92
CCC[N@@H+](C)CC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024957902	1	57	0.0	-73.59	444.28	3.71	-69.88
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300024957910	0	55	0.0	-70.38	426.77	3.13	-67.25
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300024957910	1	55	0.0	-72.90	418.55	2.52	-70.38
CC[NH+](CC)CC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024957915	0	57	0.0	-72.18	430.76	3.09	-69.09
CC[N@H+](C)CCC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024957971	0	57	0.0	-76.22	439.26	3.26	-72.96
CC[N@@H+](C)CCC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024957971	1	57	0.0	-76.27	439.26	3.28	-72.99
CC[C@@H](C(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024957974	0	57	0.0	-69.53	430.32	3.13	-66.40
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+](C)C)C1	REAL300024957992	0	51	0.0	-74.46	399.17	2.01	-72.45
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300024957996	1	55	0.0	-70.82	423.84	2.85	-67.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@H+](C)C2CC2)C1	REAL300024958002	0	55	0.0	-71.47	428.57	3.41	-68.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300024958002	1	55	0.0	-71.02	428.44	3.42	-67.60
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)CC2C[NH+](C)C2)C1	REAL300024958008	0	55	0.0	-75.30	430.46	2.88	-72.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300024958015	0	54	0.0	-71.58	421.42	2.69	-68.89
CC(NC(=O)CSC1=NC(=O)NN1)C1CCCN(C(=O)CN=[N+]=[N-])C1	REAL300024958018	0	45	0.0	-23.65	376.38	-2.39	-26.04
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300024958036	0	54	0.0	-71.58	421.42	2.69	-68.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300024958054	1	52	0.0	-74.33	409.52	2.48	-71.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300024958065	0	54	0.0	-72.62	415.44	2.35	-70.27
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+]2CC(C)C2)C1	REAL300024958071	1	55	0.0	-73.63	436.31	3.39	-70.24
CC[N@H+](C)CC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958088	0	54	0.0	-73.25	422.74	2.97	-70.28
CC[N@@H+](C)CC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958088	1	54	0.0	-73.21	422.76	2.97	-70.24
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C=CC[NH+](C)C)C1	REAL300024958104	0	55	0.0	-78.81	439.76	3.47	-75.34
CC[N@@H+]1CCC1C(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958110	1	55	0.0	-72.96	435.67	3.21	-69.75
CC[N@H+]1CCC1C(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958110	1	55	0.0	-73.50	429.71	2.94	-70.56
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300024958123	0	57	0.0	-75.10	419.86	2.45	-72.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2([NH+](C)C)CC2)C1	REAL300024958145	0	55	0.0	-74.50	428.13	2.97	-71.53
CC(C[NH+](C)C)C(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958167	0	57	0.0	-77.32	438.36	3.20	-74.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300024958176	1	55	0.0	-72.29	436.41	3.39	-68.90
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@H+]2CCC2C)C1	REAL300024958176	1	55	0.0	-72.83	431.06	3.07	-69.76
CC(NC(=O)C1CCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958285	0	55	0.0	-64.75	419.45	2.67	-62.08
CC(NC(=O)C1CCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958285	1	55	0.0	-62.16	430.64	3.32	-58.84
CCC(C(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024958356	0	57	0.0	-62.96	430.19	3.13	-59.83
CCC[N@H+](C)CC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958360	0	57	0.0	-65.37	439.18	3.52	-61.85
CCC[N@@H+](C)CC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958360	1	57	0.0	-65.31	439.18	3.52	-61.79
CC[N@H+](C)CCC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958377	0	57	0.0	-66.67	445.03	3.57	-63.10
CC[N@@H+](C)CCC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958377	1	57	0.0	-66.53	445.03	3.58	-62.95
CC[C@@H](C(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024958417	0	57	0.0	-63.37	435.59	3.36	-60.01
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958463	0	55	0.0	-62.35	431.22	3.42	-58.93
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958463	1	55	0.0	-64.72	419.96	2.66	-62.06
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958517	0	54	0.0	-63.24	423.05	2.77	-60.47
CC(NC(=O)C[NH+]1CC(C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958541	1	55	0.0	-65.23	430.69	3.22	-62.01
CC[N@H+](C)CC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958559	0	54	0.0	-65.05	417.68	2.78	-62.27
CC[N@@H+](C)CC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958559	1	54	0.0	-64.98	417.68	2.78	-62.20
CC(C[NH+](C)C)C(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958589	0	57	0.0	-63.26	438.12	3.46	-59.80
CC(NC(=O)C1([NH+](C)C)CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958592	0	55	0.0	-64.83	423.97	3.00	-61.83
CC(NC(=O)[C@@H](C)[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958596	0	54	0.0	-64.40	418.07	2.54	-61.86
CC[N@@H+]1CCC1C(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958599	1	55	0.0	-63.98	436.61	3.32	-60.66
CC[N@H+]1CCC1C(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958599	1	55	0.0	-63.28	423.98	2.77	-60.51
CC(NC(=O)C(C)(C)[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958607	0	57	0.0	-65.20	427.41	3.27	-61.93
CC(NC(=O)CN=[N+]=[N-])C1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024958653	0	45	0.0	-22.28	376.91	-2.29	-24.57
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958666	0	55	0.0	-64.74	419.47	2.68	-62.06
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958666	1	55	0.0	-62.76	430.88	3.39	-59.37
CC(NC(=O)C[N@H+](C)C1CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958703	0	55	0.0	-63.00	434.31	3.76	-59.24
CC(NC(=O)C[N@@H+](C)C1CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958703	1	55	0.0	-62.91	429.21	3.52	-59.39
CC(NC(=O)CC1C[NH+](C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958731	0	55	0.0	-67.50	436.35	3.16	-64.34
CC(NC(=O)C[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958734	0	51	0.0	-65.95	399.95	2.11	-63.84
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958737	0	54	0.0	-63.24	423.05	2.77	-60.47
CC(NC(=O)C[N@@H+]1CCC1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958744	1	55	0.0	-64.06	436.28	3.43	-60.63
CC(NC(=O)C[N@H+]1CCC1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958744	1	55	0.0	-63.23	425.21	2.93	-60.30
CC(NC(=O)C=CC[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958745	0	55	0.0	-70.25	435.89	3.33	-66.92
CC[NH+](CC)CC(=O)NC(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958751	0	57	0.0	-63.64	431.54	3.20	-60.44
CC(NC(=O)C[NH+]1CCC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958752	1	52	0.0	-65.28	415.07	2.77	-62.51
CC(NC(=O)C(C)[NH+]1CCC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958774	1	55	0.0	-62.60	433.17	3.42	-59.18
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300024958842	0	55	0.0	-71.82	423.47	2.84	-68.98
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300024958842	1	55	0.0	-66.34	424.79	2.88	-63.46
CC1CCCN(C(=O)C2CCC[N@@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024958964	0	55	0.0	-67.37	415.35	3.42	-63.95
CC1CCCN(C(=O)C2CCC[N@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024958964	1	55	0.0	-65.46	416.29	3.91	-61.55
CCC(C(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024959055	0	57	0.0	-62.92	422.58	3.67	-59.25
CCC[N@H+](C)CC(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959059	0	57	0.0	-72.24	432.24	3.55	-68.69
CCC[N@@H+](C)CC(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959059	1	57	0.0	-68.92	433.50	4.56	-64.36
CC1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959065	0	55	0.0	-63.79	415.57	3.80	-59.99
CC1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959065	1	55	0.0	-68.24	415.05	3.43	-64.81
CC[NH+](CC)CC(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959068	0	57	0.0	-66.11	424.96	4.09	-62.02
CC[N@H+](C)CCC(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959108	0	57	0.0	-70.20	432.67	4.37	-65.83
CC[N@@H+](C)CCC(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959108	1	57	0.0	-69.30	434.47	4.37	-64.93
CC[C@@H](C(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024959111	0	57	0.0	-66.44	427.53	3.93	-62.51
CC1CCCN(C(=O)C[NH+](C)C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959126	0	51	0.0	-68.62	394.24	3.14	-65.48
CC(C(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024959130	1	55	0.0	-66.16	421.97	3.68	-62.48
CC1CCCN(C(=O)C[N@H+](C)C2CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959136	0	55	0.0	-66.13	423.71	4.50	-61.63
CC1CCCN(C(=O)C[N@@H+](C)C2CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959136	1	55	0.0	-65.50	426.13	4.27	-61.23
CC1CCCN(C(=O)CC2C[NH+](C)C2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959141	0	55	0.0	-67.23	427.72	3.74	-63.49
C[C@@H](C(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024959148	0	54	0.0	-66.30	412.78	3.22	-63.08
CC1CCCN(C(=O)CN=[N+]=[N-])C1CNC(=O)CSC1=NC(=O)NN1	REAL300024959151	0	45	0.0	-21.17	370.84	-1.41	-22.58
C[C@@H](C(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024959166	0	54	0.0	-66.30	412.78	3.22	-63.08
CC1CCCN(C(=O)C[NH+]2CCC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959182	1	52	0.0	-68.54	404.70	3.58	-64.96
C[C@H](C(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024959190	0	54	0.0	-66.27	413.14	3.18	-63.09
CC1C[NH+](CC(=O)N2CCCC(C)C2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024959196	1	55	0.0	-69.39	423.76	4.18	-65.21
CC[N@H+](C)CC(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959210	0	54	0.0	-68.42	412.01	3.80	-64.62
CC[N@@H+](C)CC(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959210	1	54	0.0	-71.96	410.75	2.82	-69.14
CC1CCCN(C(=O)C=CC[NH+](C)C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959224	0	55	0.0	-71.02	432.69	4.13	-66.89
CC[N@@H+]1CCC1C(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959229	1	55	0.0	-68.78	423.54	4.00	-64.78
CC[N@H+]1CCC1C(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959229	1	55	0.0	-71.95	423.60	3.09	-68.86
CC(C[NH+](C)C)C(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959270	0	57	0.0	-69.81	434.42	4.01	-65.80
CC1CC[N@@H+]1CC(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959278	1	55	0.0	-67.42	428.14	3.98	-63.44
CC1CC[N@H+]1CC(=O)N1CCCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959278	1	55	0.0	-70.27	418.76	2.96	-67.31
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CCC[N@@H+]1C	REAL300024959385	0	55	0.0	-54.87	419.87	4.24	-50.63
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CCC[N@H+]1C	REAL300024959385	1	55	0.0	-55.67	422.47	3.89	-51.78
CCC(C(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024959456	0	57	0.0	-53.79	422.69	4.36	-49.43
CCC[N@H+](C)CC(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024959460	0	57	0.0	-56.36	433.47	4.65	-51.71
CCC[N@@H+](C)CC(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024959460	1	57	0.0	-56.89	435.97	4.35	-52.54
CC[N@H+](C)CCC(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024959477	0	57	0.0	-59.80	434.01	4.31	-55.49
CC[N@@H+](C)CCC(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024959477	1	57	0.0	-59.75	434.34	4.45	-55.30
CC[C@@H](C(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024959517	0	57	0.0	-57.22	426.15	3.90	-53.32
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300024959563	0	55	0.0	-57.29	421.56	4.02	-53.27
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300024959563	1	55	0.0	-61.24	416.92	3.51	-57.73
C[C@@H](C(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024959617	0	54	0.0	-57.81	414.52	3.39	-54.42
CC1C[NH+](CC(=O)NCC2C(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024959641	1	55	0.0	-57.91	426.82	4.09	-53.82
CC[N@H+](C)CC(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024959659	0	54	0.0	-56.07	411.96	3.91	-52.16
CC[N@@H+](C)CC(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024959659	1	54	0.0	-56.65	414.47	3.61	-53.04
CC(C[NH+](C)C)C(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024959689	0	57	0.0	-58.32	432.78	4.47	-53.85
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1([NH+](C)C)CC1	REAL300024959692	0	55	0.0	-57.59	409.64	4.01	-53.58
C[C@H](C(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024959696	0	54	0.0	-53.61	414.64	3.37	-50.24
CC[N@@H+]1CCC1C(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024959699	1	55	0.0	-57.30	416.49	4.03	-53.27
CC[N@H+]1CCC1C(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024959699	1	55	0.0	-57.63	428.54	3.98	-53.65
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C(C)(C)[NH+](C)C	REAL300024959707	0	57	0.0	-61.51	421.94	4.37	-57.14
CC1CCCN(C(=O)CSC2=NC(=O)NN2)C1CNC(=O)CN=[N+]=[N-]	REAL300024959753	0	45	0.0	-22.07	373.33	-1.45	-23.52
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024959766	0	55	0.0	-51.83	412.97	3.78	-48.05
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300024959766	1	55	0.0	-68.83	417.65	3.30	-65.53
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[N@H+](C)C1CC1	REAL300024959803	0	55	0.0	-53.86	423.66	4.64	-49.22
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[N@@H+](C)C1CC1	REAL300024959803	1	55	0.0	-53.47	423.64	4.60	-48.87
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)CC1C[NH+](C)C1	REAL300024959831	0	55	0.0	-57.53	425.82	4.01	-53.52
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[NH+](C)C	REAL300024959834	0	51	0.0	-56.18	394.37	3.19	-52.99
C[C@@H](C(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024959837	0	54	0.0	-57.81	414.52	3.39	-54.42
CC1CC[N@@H+]1CC(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024959844	1	55	0.0	-69.84	418.78	3.05	-66.79
CC1CC[N@H+]1CC(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024959844	1	55	0.0	-54.61	425.57	4.31	-50.30
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C=CC[NH+](C)C	REAL300024959845	0	55	0.0	-61.20	430.33	4.41	-56.79
CC[NH+](CC)CC(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024959851	0	57	0.0	-54.14	429.66	4.56	-49.58
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[NH+]1CCC1	REAL300024959852	1	52	0.0	-59.10	402.67	3.62	-55.48
CC(C(=O)NCC1C(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024959874	1	55	0.0	-59.15	422.28	4.15	-55.00
CC1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959938	0	55	0.0	-70.26	410.77	2.66	-67.60
CC1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959938	1	55	0.0	-65.47	421.36	3.74	-61.73
CN(CCC1CCN(C(=O)C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024960053	0	54	0.0	-72.42	425.27	4.19	-68.23
C[C@@H](C(=O)N1CCC(CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024960058	0	57	0.0	-73.75	442.22	4.62	-69.13
CN(CCC1CCN(C(=O)CN=[N+]=[N-])CC1)C(=O)CSC1=NC(=O)NN1	REAL300024960061	0	48	0.0	-23.65	402.23	-0.21	-23.86
C[C@@H](C(=O)N1CCC(CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024960071	0	57	0.0	-73.75	442.22	4.62	-69.13
CN(CCC1CCN(C(=O)C[NH+]2CCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024960079	1	55	0.0	-69.76	435.30	4.61	-65.15
C[C@H](C(=O)N1CCC(CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024960084	0	57	0.0	-68.21	441.17	4.56	-63.65
CC[N@H+](C)CC(=O)N1CCC(CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024960096	0	57	0.0	-75.54	442.99	4.86	-70.68
CC[N@@H+](C)CC(=O)N1CCC(CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024960096	1	57	0.0	-75.53	442.99	4.87	-70.66
C[C@@H](C(=O)N(C)CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024960233	0	57	0.0	-70.97	440.56	4.56	-66.41
CC[N@H+](C)CC(=O)N(C)CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024960252	0	57	0.0	-72.02	443.27	4.92	-67.10
CC[N@@H+](C)CC(=O)N(C)CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024960252	1	57	0.0	-71.77	443.24	4.91	-66.86
C[C@H](C(=O)N(C)CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024960265	0	57	0.0	-71.26	441.49	4.64	-66.62
CN(CCC1CCN(C(=O)CSC2=NC(=O)NN2)CC1)C(=O)CN=[N+]=[N-]	REAL300024960289	0	48	0.0	-23.72	402.23	-0.17	-23.89
CN(CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[NH+](C)C	REAL300024960316	0	54	0.0	-72.60	425.27	4.23	-68.37
C[C@@H](C(=O)N(C)CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300024960319	0	57	0.0	-70.97	440.56	4.56	-66.41
CN(CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[NH+]1CCC1	REAL300024960326	1	55	0.0	-72.67	435.29	4.64	-68.03
CC(C)C(CNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960521	0	51	0.0	-65.94	401.38	0.46	-65.48
CC(C)C(CNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960521	1	51	0.0	-65.86	401.36	0.45	-65.41
CC(C)C(CNC(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960545	1	52	0.0	-69.67	410.55	0.58	-69.09
CC(C)C(CNC(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960545	1	52	0.0	-69.43	411.61	0.20	-69.23
CC(C)C(CNC(=O)C1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960688	0	57	0.0	-62.25	440.30	2.01	-60.24
CC(C)C(CNC(=O)C1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960688	1	57	0.0	-61.81	439.35	1.96	-59.85
CC1=[NH+]C=CN1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024960710	1	49	0.0	-64.41	410.79	1.52	-62.89
CC(C)C(CNC(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960728	0	55	0.0	-69.75	425.80	2.00	-67.75
CC(C)C(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960754	0	54	0.0	-67.65	422.02	1.42	-66.23
CC(C)C(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960754	1	54	0.0	-67.39	424.38	1.20	-66.19
CC[C@@H]1[C@@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C)CC[N@@H+]1C	REAL300024960756	0	57	0.0	-67.47	441.39	1.88	-65.59
CC[C@@H]1[C@@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C)CC[N@H+]1C	REAL300024960756	1	57	0.0	-67.04	441.58	2.26	-64.78
CC(C)C(CNC(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960803	0	57	0.0	-62.94	438.39	1.79	-61.15
CC(C)C(CNC(=O)CCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960805	0	57	0.0	-67.58	451.18	2.44	-65.14
CC(C)C(CNC(=O)CC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960807	0	57	0.0	-67.48	444.90	2.31	-65.17
CC[N@@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024960810	0	57	0.0	-62.73	441.13	2.15	-60.58
CC[N@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024960810	1	57	0.0	-63.44	431.68	1.99	-61.45
CC(C)C(CNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960819	0	54	0.0	-66.30	412.20	1.44	-64.86
CC(C)C(CNC(=O)[C@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960825	0	56	0.0	-64.87	427.60	2.41	-62.46
CC(C)C(CNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960843	0	54	0.0	-65.53	427.48	1.89	-63.64
CC(C)C(CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960843	1	54	0.0	-65.20	427.57	1.89	-63.31
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024960893	1	53	0.0	-64.47	428.00	1.68	-62.79
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024960893	1	53	0.0	-64.85	432.72	2.18	-62.67
CC(C)C(CNC(=O)CCC1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960898	0	57	0.0	-66.94	442.24	2.33	-64.61
CC(C)C(CNC(=O)CCC1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960898	1	57	0.0	-67.91	448.74	2.41	-65.50
CC(C)C(CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960914	0	54	0.0	-69.30	424.84	1.95	-67.35
CC(C)C(CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960937	0	54	0.0	-64.02	421.63	1.82	-62.20
CC(C)C(CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024960937	1	54	0.0	-64.27	426.75	1.71	-62.56
CC1=C[NH+]=CN1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024960995	1	49	0.0	-66.95	408.96	2.60	-64.35
CC(C)C(CNC(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961011	0	55	0.0	-63.83	424.90	2.28	-61.55
CC(C)C(CNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961016	0	54	0.0	-68.89	427.67	1.51	-67.38
CC(C)C(CNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961016	1	54	0.0	-69.16	427.87	1.49	-67.67
CCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024961022	0	53	0.0	-64.94	412.00	0.90	-64.04
CC(C)C(CNC(=O)CCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961063	0	56	0.0	-69.10	446.72	2.04	-67.06
CC(C)C(CNC(=O)C(C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961073	0	56	0.0	-65.13	429.16	1.61	-63.52
CCC[N@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961074	0	56	0.0	-68.55	442.95	1.87	-66.68
CCC[N@@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961074	1	56	0.0	-68.56	442.95	1.87	-66.69
CCC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961077	0	53	0.0	-67.26	420.58	1.32	-65.94
CCC[N@@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961077	1	53	0.0	-67.40	423.66	1.62	-65.78
CC(C)C(CNC(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961086	0	55	0.0	-69.01	423.33	1.12	-67.89
CC(C)C(CNC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961086	1	55	0.0	-67.41	422.89	1.13	-66.28
CC(C)C(CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961107	0	51	0.0	-64.17	406.43	0.97	-63.20
CC(C)C(CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961107	1	51	0.0	-66.10	404.73	0.66	-65.44
CC[NH+](CC)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961134	0	53	0.0	-65.53	411.29	1.31	-64.22
CC(C)C(CNC(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961187	0	57	0.0	-67.25	447.39	2.71	-64.54
CC(C)C(CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961205	0	54	0.0	-67.49	433.16	1.68	-65.81
CC(C)C(CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961251	0	54	0.0	-69.30	424.84	1.95	-67.35
CC(C)C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961266	0	56	0.0	-65.15	429.30	2.55	-62.60
CC[N@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961322	0	53	0.0	-68.03	419.80	1.45	-66.58
CC[N@@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961322	1	53	0.0	-68.07	420.35	1.51	-66.56
CC(C)C(CNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961344	0	54	0.0	-64.35	426.69	1.69	-62.66
CC(C)C(CNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961344	1	54	0.0	-63.90	420.06	1.27	-62.63
CC(C)C(CNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961345	0	54	0.0	-66.34	426.91	1.66	-64.68
CC(C)C(CNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961345	1	54	0.0	-66.31	426.92	1.65	-64.66
CC(C)C(CNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961346	0	57	0.0	-66.27	446.96	2.16	-64.11
CC(C)C(CNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961346	1	57	0.0	-66.30	444.93	2.46	-63.84
CC[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024961353	0	53	0.0	-64.98	415.02	1.13	-63.85
CC(C)C(CNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961423	0	47	0.0	-67.66	381.36	-0.09	-67.75
CC(C)C(CNC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961426	0	57	0.0	-66.55	435.86	2.17	-64.38
CC(C)C(CNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961428	0	49	0.0	-65.42	411.48	3.81	-61.61
CC(C)C(CNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961431	0	54	0.0	-62.97	419.67	1.72	-61.25
CC(C)C(CNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961431	1	54	0.0	-63.08	423.12	1.94	-61.14
CC(C)C(CNC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961436	0	55	0.0	-64.76	430.46	2.42	-62.34
CC(C)C(CNC(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961436	1	55	0.0	-63.99	431.82	1.76	-62.23
CC(C)C(CNC(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961446	1	51	0.0	-64.93	411.36	0.84	-64.09
CC(C)C(CNC(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961454	0	56	0.0	-65.57	430.49	1.77	-63.80
CC(C)C(CNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961465	0	51	0.0	-64.96	410.76	1.32	-63.64
CC(C)C(CNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961465	1	51	0.0	-65.00	409.11	1.62	-63.38
CC(C)C(CNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961479	0	51	0.0	-68.16	412.80	0.74	-67.42
CC(C)C(CNC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961489	0	57	0.0	-62.95	442.94	1.64	-61.31
CC(C)C(CNC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961489	1	57	0.0	-63.29	446.79	1.87	-61.42
CC(C)C(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961498	0	50	0.0	-65.59	399.46	0.30	-65.29
CC(C)C(CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024961505	0	41	0.0	-22.45	358.33	-4.49	-26.94
CC(C)C(CNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961546	0	47	0.0	-63.73	406.77	0.40	-63.33
CC(C)C(CNC(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961551	0	54	0.0	-67.94	430.15	-1.78	-69.72
CC(C)C(CNC(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961551	1	54	0.0	-67.87	430.13	-1.80	-69.67
CC(C)C(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961552	0	50	0.0	-65.59	399.46	0.30	-65.29
CC(C)C(CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961555	0	54	0.0	-64.20	422.18	1.89	-62.31
CC(C)C(CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961555	1	54	0.0	-65.06	417.10	1.63	-63.43
CC(C)C(CNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961599	1	48	0.0	-67.25	394.88	0.53	-66.72
CC(C)C(CNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961611	0	52	0.0	-70.60	419.10	1.83	-68.77
CC(C)C(CNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961611	1	52	0.0	-70.71	419.25	1.46	-69.25
CC(C)C(CNC(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961629	0	54	0.0	-67.79	440.66	1.17	-66.62
C=CCC(C)(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024961640	0	57	0.0	-63.19	436.73	1.96	-61.23
CC(C)C(CNC(=O)CN1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961671	0	51	0.0	-67.02	410.97	1.32	-65.70
CC(C)C(CNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961671	1	51	0.0	-67.02	410.97	1.32	-65.70
CC(C)C(CNC(=O)CN(C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961687	0	51	0.0	-67.59	409.44	-2.66	-70.25
CC(C)C(CNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961687	1	51	0.0	-67.03	409.22	-2.66	-69.69
CC(C)C(CNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961687	1	51	0.0	-67.03	409.22	-2.66	-69.69
CC[N@@H+]1CCCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C)C1	REAL300024961704	0	57	0.0	-62.17	437.34	2.38	-59.79
CC[N@H+]1CCCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C)C1	REAL300024961704	1	57	0.0	-62.17	437.34	2.38	-59.79
CC(CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C)C[NH+](C)C	REAL300024961706	0	56	0.0	-69.71	438.50	1.89	-67.82
CC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961709	0	50	0.0	-66.85	399.09	0.57	-66.28
CC[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C)C1CC1	REAL300024961732	0	54	0.0	-64.35	426.07	2.24	-62.11
CC[NH+](CC)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961740	0	56	0.0	-67.26	434.95	1.55	-65.71
CC(C)C(CNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961768	0	51	0.0	-70.64	418.59	1.15	-69.49
COCCN(C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961781	0	54	0.0	-66.94	431.47	-0.27	-67.21
COCC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961781	1	54	0.0	-67.79	435.12	-0.05	-67.84
COCC[N@@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961781	1	54	0.0	-67.79	435.12	-0.05	-67.84
CC(C)C(CNC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961797	0	57	0.0	-66.87	431.38	2.49	-64.38
CC(C)C(CNC(=O)CCC(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961799	0	56	0.0	-67.46	442.06	1.84	-65.62
CCN1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961805	0	51	0.0	-64.94	406.10	0.64	-64.30
CC[N@@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961805	1	51	0.0	-65.64	411.34	1.25	-64.39
CC[N@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024961805	1	51	0.0	-65.64	411.34	1.25	-64.39
CC(C)C(CNC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961829	0	57	0.0	-66.35	438.61	1.98	-64.37
C=CCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024961845	0	54	0.0	-64.24	425.02	1.38	-62.86
CC(C)C(CNC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961852	0	57	0.0	-65.36	441.22	1.62	-63.74
CCCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024961869	0	56	0.0	-66.07	436.69	1.89	-64.18
CC(C)C(CNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961872	0	53	0.0	-65.93	408.60	1.09	-64.84
CC(C)C(CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961892	0	54	0.0	-64.27	426.75	1.71	-62.56
CC(C)C(CNC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961911	0	55	0.0	-66.92	440.49	2.24	-64.68
CC(C)C(CNC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961911	1	55	0.0	-66.92	440.49	2.24	-64.68
CC(C)C(CNC(=O)C=CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961940	0	55	0.0	-68.88	441.92	2.18	-66.70
CC(C)C(CNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961965	0	54	0.0	-67.48	429.68	1.64	-65.84
CC(C)C(CNC(=O)C1C[NH+]2CCN1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961985	0	54	0.0	-70.75	417.65	-1.62	-72.37
CC(C)C(CNC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961989	0	52	0.0	-65.23	411.56	1.28	-63.95
CC(C)C(CNC(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961994	0	55	0.0	-65.03	427.76	1.99	-63.04
CC(C)C(CNC(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961994	1	55	0.0	-65.03	427.76	1.99	-63.04
CC(C)C(CNC(=O)CN1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962028	0	53	0.0	-64.96	419.18	2.19	-62.77
CC(C)C(CNC(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962028	1	53	0.0	-64.94	420.74	1.88	-63.06
CC(C)C(CNC(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962028	1	53	0.0	-64.94	420.74	1.88	-63.06
CC(C)C(CNC(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962055	0	53	0.0	-67.82	419.76	1.17	-66.65
CC(C)C(CNC(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962091	0	57	0.0	-62.14	433.11	1.96	-60.18
CC(C)C(CNC(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962091	1	57	0.0	-62.14	433.11	1.96	-60.18
CC(C)C(CNC(=O)C(C)N1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962100	0	54	0.0	-64.82	431.69	1.57	-63.25
CC(C)C(CNC(=O)C(C)[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962100	1	54	0.0	-64.82	431.69	1.57	-63.25
CC(C)C(CNC(=O)CN1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962102	0	51	0.0	-65.85	411.55	1.37	-64.48
CC(C)C(CNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962102	1	51	0.0	-65.82	415.71	1.31	-64.51
CC(C)C(CNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962102	1	51	0.0	-65.82	415.71	1.31	-64.51
CC(C)C(CNC(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962104	0	54	0.0	-71.36	432.29	-0.74	-72.10
CC(C)C(CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962156	0	54	0.0	-67.85	431.08	1.63	-66.22
CC(C)C(CNC(=O)C(C)CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962160	0	56	0.0	-68.70	444.82	1.99	-66.71
CC(C)C(CNC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962175	1	56	0.0	-68.23	440.75	-0.57	-68.80
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C	REAL300024962344	0	51	0.0	-65.71	407.22	0.95	-64.76
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300024962344	1	51	0.0	-65.11	405.39	1.17	-63.94
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CCO1	REAL300024962370	1	52	0.0	-73.18	409.63	0.34	-72.84
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CCO1	REAL300024962370	1	52	0.0	-69.41	415.06	0.41	-69.00
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+]1CCC2	REAL300024962526	0	55	0.0	-65.79	425.74	1.90	-63.89
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300024962547	0	54	0.0	-69.06	427.80	1.51	-67.55
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300024962547	1	54	0.0	-69.52	428.34	1.49	-68.03
CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024962553	0	53	0.0	-66.43	408.68	1.16	-65.27
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+](C)C	REAL300024962582	0	56	0.0	-69.44	446.72	2.06	-67.38
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C(C)C)[NH+](C)C	REAL300024962594	0	56	0.0	-65.71	430.03	1.91	-63.80
CCC[N@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024962595	0	56	0.0	-70.27	446.03	2.17	-68.10
CCC[N@@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024962595	1	56	0.0	-70.37	446.02	2.16	-68.21
CCC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024962598	0	53	0.0	-69.10	419.48	1.71	-67.39
CCC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024962598	1	53	0.0	-68.73	420.58	1.33	-67.40
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300024962607	0	55	0.0	-71.64	420.51	1.56	-70.08
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300024962607	1	55	0.0	-70.42	426.84	1.33	-69.09
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(C)CC1	REAL300024962631	0	57	0.0	-68.96	444.31	2.41	-66.55
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CC1	REAL300024962668	0	54	0.0	-66.92	431.11	2.01	-64.91
CC[N@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024962685	0	53	0.0	-69.25	421.45	1.13	-68.12
CC[N@@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024962685	1	53	0.0	-69.29	421.45	1.11	-68.18
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+]2CCC1CC2	REAL300024962696	0	55	0.0	-73.02	422.69	1.71	-71.31
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024962733	0	54	0.0	-69.59	425.91	1.58	-68.01
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C(C)C)[NH+](C)C	REAL300024962748	0	56	0.0	-66.00	428.86	2.14	-63.86
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCC1	REAL300024962808	0	54	0.0	-68.75	417.44	1.28	-67.47
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300024962842	0	54	0.0	-65.39	420.04	1.28	-64.11
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1C	REAL300024962842	1	54	0.0	-66.14	430.05	1.90	-64.24
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C(C)C	REAL300024962868	0	57	0.0	-63.54	440.29	2.00	-61.54
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C(C)C	REAL300024962868	1	57	0.0	-63.87	424.14	2.79	-61.08
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C(C)C)[NH+](C)C	REAL300024962875	0	56	0.0	-66.31	422.81	2.42	-63.89
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300024962885	0	54	0.0	-68.27	429.76	1.91	-66.36
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)C1	REAL300024962885	1	54	0.0	-67.76	426.50	1.95	-65.81
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024962886	0	57	0.0	-68.23	445.15	2.54	-65.69
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300024962886	1	57	0.0	-68.37	449.85	2.46	-65.91
CC[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024962893	0	53	0.0	-66.42	410.27	0.84	-65.58
CC1=[NH+]C=CN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024962971	1	49	0.0	-64.82	410.79	1.53	-63.29
CC1=C[NH+]=CN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024963029	1	49	0.0	-67.69	413.15	2.52	-65.17
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024963033	0	54	0.0	-69.58	407.01	2.08	-67.50
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024963033	1	54	0.0	-67.28	424.35	1.75	-65.53
CC[C@@H]1[C@@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C)CC[N@@H+]1C	REAL300024963035	0	57	0.0	-69.10	438.31	1.58	-67.52
CC[C@@H]1[C@@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C)CC[N@H+]1C	REAL300024963035	1	57	0.0	-67.28	440.33	1.78	-65.50
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1C(C)CCC1C	REAL300024963040	0	57	0.0	-64.38	439.77	2.06	-62.32
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCC1	REAL300024963042	0	57	0.0	-68.27	450.08	2.82	-65.45
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCC1	REAL300024963045	0	57	0.0	-68.94	444.90	2.30	-66.64
CC[N@@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024963048	0	57	0.0	-64.67	426.86	1.80	-62.87
CC[N@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024963048	1	57	0.0	-63.50	441.14	2.14	-61.36
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCC1	REAL300024963125	0	54	0.0	-67.11	430.55	2.20	-64.91
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCC1	REAL300024963125	1	54	0.0	-66.80	431.00	2.11	-64.69
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024963145	0	54	0.0	-69.59	425.91	1.58	-68.01
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024963167	0	51	0.0	-65.44	406.45	0.97	-64.47
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300024963167	1	51	0.0	-66.66	399.73	0.79	-65.87
C#CC[N@H+]1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024963184	1	53	0.0	-64.34	419.97	2.60	-61.74
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024963184	1	53	0.0	-65.78	433.90	2.21	-63.57
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@@H+]1C	REAL300024963189	0	57	0.0	-68.08	446.71	2.15	-65.93
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@H+]1C	REAL300024963189	1	57	0.0	-70.08	444.92	2.26	-67.82
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024963248	0	54	0.0	-66.53	417.43	1.56	-64.97
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024963248	1	54	0.0	-66.55	417.09	1.63	-64.92
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300024963293	0	54	0.0	-68.27	427.90	1.31	-66.96
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300024963293	1	54	0.0	-67.57	427.21	1.49	-66.08
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024963340	0	57	0.0	-65.01	446.30	1.86	-63.15
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300024963340	1	57	0.0	-65.35	429.76	1.19	-64.16
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024963352	0	50	0.0	-67.33	396.24	0.21	-67.12
C=CCC(C)(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024963364	0	57	0.0	-63.59	436.13	1.99	-61.60
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300024963376	0	54	0.0	-68.64	429.68	1.63	-67.01
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCO	REAL300024963382	1	51	0.0	-69.39	409.44	-2.65	-72.04
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCO	REAL300024963382	1	51	0.0	-69.12	412.29	-2.37	-71.49
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300024963427	0	55	0.0	-67.50	439.40	2.62	-64.88
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300024963427	1	55	0.0	-66.36	440.48	2.23	-64.13
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)C1	REAL300024963467	1	51	0.0	-68.83	415.70	1.31	-67.52
CC[N@@H+]1CCCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C)C1	REAL300024963472	0	57	0.0	-66.78	443.58	2.18	-64.60
CC[N@H+]1CCCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C)C1	REAL300024963472	1	57	0.0	-66.67	443.60	2.19	-64.48
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300024963483	0	55	0.0	-67.45	423.03	1.95	-65.50
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300024963483	1	55	0.0	-62.81	428.60	2.43	-60.38
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+]1CCCC1	REAL300024963502	0	55	0.0	-69.24	441.90	2.19	-67.05
CC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024963537	0	50	0.0	-68.42	397.98	0.98	-67.44
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC2C=CC1C2	REAL300024963564	0	53	0.0	-65.87	419.38	2.16	-63.71
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024963564	1	53	0.0	-67.13	423.85	2.09	-65.04
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300024963564	1	53	0.0	-67.13	423.85	2.09	-65.04
COCCN(C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024963637	0	54	0.0	-68.81	431.47	-0.26	-69.07
COCC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024963637	1	54	0.0	-69.72	430.04	0.07	-69.65
COCC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024963637	1	54	0.0	-69.72	430.04	0.07	-69.65
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC(C)[NH+](C)C	REAL300024963640	0	56	0.0	-67.90	442.13	1.86	-66.04
CC[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C)C1CC1	REAL300024963652	0	54	0.0	-67.15	421.65	2.20	-64.95
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024963676	0	52	0.0	-69.51	414.84	1.36	-68.15
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300024963683	0	55	0.0	-66.84	427.92	2.01	-64.83
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)C[NH+](C)C	REAL300024963696	0	53	0.0	-68.64	419.76	1.19	-67.45
CCN1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024963723	0	51	0.0	-67.56	416.42	1.10	-66.46
CC[N@@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024963723	1	51	0.0	-66.30	408.99	0.86	-65.44
CC[N@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024963723	1	51	0.0	-66.30	408.99	0.86	-65.44
CCCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024963757	0	56	0.0	-67.46	432.15	1.68	-65.78
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+](C)C	REAL300024963761	0	53	0.0	-69.86	410.11	1.23	-68.63
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)CC[NH+](C)C	REAL300024963774	0	56	0.0	-69.18	444.82	2.01	-67.17
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024963821	0	57	0.0	-67.62	437.71	1.48	-66.14
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCN(C)CC1	REAL300024963828	0	56	0.0	-68.85	440.22	-0.61	-69.46
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC[NH+](C)CC1	REAL300024963828	1	56	0.0	-68.85	440.22	-0.61	-69.46
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024963905	0	54	0.0	-66.55	417.09	1.63	-64.92
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@H+](C)C1	REAL300024963960	0	52	0.0	-70.56	419.23	1.49	-69.07
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300024963960	1	52	0.0	-70.56	419.23	1.49	-69.07
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CNC1=CC=[NH+]C=C1	REAL300024963962	0	50	0.0	-66.85	417.07	-0.81	-67.66
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCCC1	REAL300024964011	0	57	0.0	-69.47	432.93	2.05	-67.42
CCC1CN(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C)C1	REAL300024964018	0	54	0.0	-69.67	437.08	2.08	-67.59
CCC1C[NH+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C)C1	REAL300024964018	1	54	0.0	-69.67	437.08	2.08	-67.59
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024964027	0	51	0.0	-65.80	405.66	1.26	-64.54
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024964101	0	54	0.0	-67.30	434.33	1.86	-65.44
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300024964108	0	57	0.0	-72.89	452.12	2.29	-70.60
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@@H+]1C	REAL300024964109	0	55	0.0	-63.13	430.63	2.21	-60.92
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@H+]1C	REAL300024964109	1	55	0.0	-63.13	430.63	2.21	-60.92
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCC[NH+](C)C	REAL300024964136	0	54	0.0	-67.77	440.65	1.18	-66.59
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=CSC1=[NH2+]	REAL300024964159	0	47	0.0	-64.39	406.78	0.40	-63.99
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C)C1	REAL300024964211	0	54	0.0	-68.53	429.37	1.75	-66.78
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C)C1	REAL300024964211	1	54	0.0	-68.53	429.37	1.75	-66.78
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCCC1	REAL300024964212	0	57	0.0	-68.64	432.43	1.97	-66.67
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N+]1=CN(C)C=C1	REAL300024964214	0	49	0.0	-66.46	412.59	3.42	-63.04
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CC1	REAL300024964233	0	51	0.0	-66.80	409.66	1.71	-65.09
CC(CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C)C[NH+](C)C	REAL300024964247	0	56	0.0	-70.15	438.49	1.90	-68.25
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300024964338	0	51	0.0	-68.25	411.69	1.11	-67.14
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)CCO	REAL300024964360	0	54	0.0	-68.67	430.65	-1.73	-70.40
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)CCO	REAL300024964360	1	54	0.0	-68.67	430.65	-1.73	-70.40
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@@H+]1C	REAL300024964374	0	57	0.0	-70.30	443.68	2.40	-67.90
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@H+]1C	REAL300024964374	1	57	0.0	-70.30	443.68	2.40	-67.90
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)N1CC(C)C1	REAL300024964384	0	54	0.0	-65.75	430.55	1.61	-64.14
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CC(C)C1	REAL300024964384	1	54	0.0	-65.75	430.55	1.61	-64.14
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC1C	REAL300024964386	0	51	0.0	-67.36	412.61	1.02	-66.34
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC1C	REAL300024964386	1	51	0.0	-67.33	412.63	1.03	-66.30
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC1C	REAL300024964386	1	51	0.0	-67.33	412.63	1.03	-66.30
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300024964392	0	51	0.0	-71.36	417.31	1.14	-70.22
CC[NH+](CC)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024964431	0	53	0.0	-66.20	423.25	1.58	-64.62
CC[NH+](CC)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024964467	0	56	0.0	-68.90	438.38	1.76	-67.14
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)N1CCC1	REAL300024964517	0	51	0.0	-66.12	409.71	1.15	-64.97
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCC1	REAL300024964517	1	51	0.0	-66.12	409.71	1.15	-64.97
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C[NH+](C)C	REAL300024964526	0	56	0.0	-64.05	428.88	1.61	-62.44
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024964553	0	54	0.0	-66.29	414.00	1.34	-64.95
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC(O)C[NH+](C)C	REAL300024964570	0	54	0.0	-72.48	437.48	-0.89	-73.37
C=CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C)[NH+](C)C	REAL300024964589	0	54	0.0	-65.79	422.28	1.70	-64.09
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300024964599	0	57	0.0	-68.66	433.14	2.22	-66.44
CC(C)C(CNC(=O)CSC(N)=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024964620	0	45	0.0	-67.56	389.28	-3.14	-70.70
CC(C)C(CNC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024964640	0	57	0.0	-67.93	456.74	2.45	-65.48
CC(C)C(CNC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024964641	0	55	0.0	-68.72	430.93	2.27	-66.45
CC(C)C(CNC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024964641	1	55	0.0	-68.72	430.93	2.27	-66.45
CCC1C[NH+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C)C1	REAL300024964719	1	54	0.0	-67.68	434.02	1.77	-65.91
CC(C)C(CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024964724	1	51	0.0	-64.36	406.04	1.32	-63.04
CC(C)C(CNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024964737	0	54	0.0	-66.46	423.46	1.80	-64.66
CC(C)C(CNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024964741	0	54	0.0	-66.98	419.90	1.37	-65.61
CC(C)C(CNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024964741	1	54	0.0	-65.86	425.98	1.32	-64.54
CN(CCN(C)C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024964976	0	48	0.0	-71.84	391.81	2.79	-69.05
CN(CCN(C)C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024964976	1	48	0.0	-70.87	391.54	2.80	-68.07
CN(CCN(C)C(=O)C1CN(C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965000	0	49	0.0	-78.74	398.85	2.21	-76.53
CN(CCN(C)C(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965000	1	49	0.0	-88.87	400.74	2.26	-86.61
CN(CCN(C)C(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965000	1	49	0.0	-78.74	398.85	2.21	-76.53
CC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300024965155	0	57	0.0	-70.60	435.23	4.68	-65.92
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965157	0	57	0.0	-68.36	429.64	4.18	-64.18
CC(C)[N@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965157	1	57	0.0	-67.67	437.79	4.42	-63.25
CC(C)[N@@H+]1CCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965175	0	54	0.0	-64.99	422.12	3.90	-61.09
CC(C)[N@H+]1CCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965175	1	54	0.0	-65.66	417.75	4.37	-61.29
CN(CCN(C)C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965190	0	55	0.0	-70.11	430.65	4.51	-65.60
CN(CCN(C)C(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965190	1	55	0.0	-68.71	430.84	4.51	-64.20
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965207	1	52	0.0	-68.88	432.29	4.69	-64.19
CC1=[NH+]C=CN1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965230	1	46	0.0	-70.25	396.07	3.55	-66.70
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCCC1	REAL300024965244	0	57	0.0	-76.63	451.69	5.19	-71.44
CN(CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965257	0	57	0.0	-73.75	429.11	4.26	-69.49
CN(CCN(C)C(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965265	0	52	0.0	-74.59	403.80	3.48	-71.11
CN(CCN(C)C(=O)C1CCCC2CCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965298	0	55	0.0	-65.75	419.55	4.12	-61.63
CN(CCN(C)C(=O)C1CCCC2CCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965298	1	55	0.0	-62.87	426.68	4.53	-58.34
C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024965308	0	51	0.0	-71.61	400.72	3.19	-68.42
C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024965308	1	51	0.0	-79.29	408.71	3.21	-76.08
CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024965312	0	54	0.0	-71.44	421.76	3.47	-67.97
CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024965312	1	54	0.0	-76.92	424.96	3.82	-73.10
CC[N@@H+]1CCOC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024965321	1	52	0.0	-76.45	418.45	2.88	-73.57
CC[N@H+]1CCOC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024965321	1	52	0.0	-69.90	409.97	2.69	-67.21
CC[NH+](CC)CC(F)C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965358	0	53	0.0	-69.86	429.26	3.98	-65.88
CC1CCC(C)[NH+]1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965414	0	54	0.0	-69.65	423.37	3.83	-65.82
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCC1	REAL300024965418	0	54	0.0	-76.38	436.47	4.52	-71.86
C#CC[NH+]1CCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024965422	0	53	0.0	-81.97	430.95	4.51	-77.46
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCC1	REAL300024965423	0	54	0.0	-75.75	430.19	4.37	-71.38
CC[N@@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965427	0	54	0.0	-72.62	417.29	3.83	-68.79
CC[N@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965427	1	54	0.0	-69.26	423.98	4.11	-65.15
CC(C)C[N@@H+]1CCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024965439	0	57	0.0	-75.37	447.92	4.79	-70.58
CC(C)C[N@H+]1CCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024965439	1	57	0.0	-70.93	447.74	4.74	-66.19
CN(CCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965442	0	51	0.0	-79.94	398.48	3.17	-76.77
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965444	0	57	0.0	-73.62	437.71	4.26	-69.36
CC(C)[N@H+]1CCCC1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965444	1	57	0.0	-63.65	435.98	4.52	-59.13
CC(C)[C@@H](C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024965454	0	53	0.0	-72.53	408.94	3.56	-68.97
CN(CCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965489	0	51	0.0	-67.73	413.03	3.92	-63.81
CN(CCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965489	1	51	0.0	-70.82	412.86	3.91	-66.91
CC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300024965530	0	57	0.0	-63.40	436.66	4.29	-59.11
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965580	1	50	0.0	-71.00	412.10	3.71	-67.29
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965580	1	50	0.0	-71.26	415.01	3.98	-67.28
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL300024965585	0	54	0.0	-74.64	428.57	4.01	-70.63
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL300024965585	1	54	0.0	-72.67	434.30	4.48	-68.19
CN(CCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965592	0	55	0.0	-75.86	414.27	3.65	-72.21
CN(CCN(C)C(=O)C1CCC2CCCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965595	0	55	0.0	-64.20	430.69	4.71	-59.49
CN(CCN(C)C(=O)C1CCC2CCCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965595	1	55	0.0	-64.26	431.25	4.73	-59.53
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+]1CCCC1	REAL300024965609	0	57	0.0	-77.92	457.97	5.30	-72.62
CN(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965618	0	51	0.0	-74.34	407.61	3.42	-70.92
CN(CCN(C)C(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965644	1	50	0.0	-82.95	422.00	3.26	-79.69
CN(CCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965666	0	51	0.0	-67.78	395.33	3.04	-64.74
CN(CCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965666	1	51	0.0	-74.32	399.44	3.18	-71.14
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965683	0	57	0.0	-71.34	451.01	4.97	-66.37
CC(C)C[N@H+]1CCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965683	1	57	0.0	-71.35	447.68	4.97	-66.38
CN(CCN(C)C(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965764	0	46	0.0	-80.74	401.44	5.32	-75.42
CC1=[NH+]C=CN1CCCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965770	1	52	0.0	-68.24	437.88	4.89	-63.35
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCOCC1	REAL300024965774	1	52	0.0	-79.03	421.91	2.00	-77.03
CC1=C[NH+]=CN1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965796	1	46	0.0	-72.97	395.35	4.24	-68.73
CN(CCN(C)C(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965827	0	52	0.0	-69.41	404.24	3.32	-66.09
CN(CCN(C)C(=O)C1CCCC([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965846	0	57	0.0	-67.39	434.04	4.35	-63.04
CN(CCN(C)C(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965848	0	51	0.0	-78.91	413.08	3.57	-75.34
CN(CCN(C)C(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965848	1	51	0.0	-73.30	412.91	3.57	-69.73
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965858	0	50	0.0	-84.70	418.17	1.76	-82.94
CCC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024965862	0	50	0.0	-72.63	397.52	3.06	-69.57
CN(CCN(C)C(=O)CC1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965870	0	57	0.0	-72.70	430.74	4.41	-68.29
CN(CCN(C)C(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965900	1	46	0.0	-83.76	393.70	5.12	-78.64
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300024965943	0	53	0.0	-72.92	432.27	4.14	-68.78
CC(C)C(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024965959	0	53	0.0	-72.23	409.69	3.68	-68.55
CCC[N@H+](C)CCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965961	0	53	0.0	-77.36	428.24	3.95	-73.41
CCC[N@@H+](C)CCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965961	1	53	0.0	-77.34	428.24	3.96	-73.38
CCC[N@H+](C)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965966	0	50	0.0	-69.71	406.14	3.36	-66.35
CCC[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965966	1	50	0.0	-73.06	405.87	3.35	-69.71
CN(CCN(C)C(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965986	0	52	0.0	-74.65	399.03	2.75	-71.90
CN(CCN(C)C(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965986	1	52	0.0	-74.63	398.92	2.80	-71.83
CN(CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966016	0	48	0.0	-66.80	389.05	2.80	-64.00
CN(CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966016	1	48	0.0	-68.37	385.87	2.48	-65.89
CC[NH+](CC)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966069	0	50	0.0	-71.49	398.23	3.01	-68.48
CCC[N@@H+]1CCCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024966100	0	57	0.0	-66.53	439.25	4.88	-61.65
CCC[N@H+]1CCCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024966100	1	57	0.0	-74.91	445.41	4.71	-70.20
CC1CC[NH+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024966139	0	54	0.0	-74.08	429.70	4.44	-69.64
CN(CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966171	0	51	0.0	-69.69	414.95	3.52	-66.17
CC(C)[NH+]1CCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024966230	0	57	0.0	-78.19	438.85	4.38	-73.81
CN(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966245	0	51	0.0	-74.34	407.61	3.42	-70.92
CC(C)[C@H](C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024966263	0	53	0.0	-68.67	410.85	3.73	-64.94
CCC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024966293	0	56	0.0	-66.60	427.92	4.11	-62.49
CC[N@H+](C)CCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966340	0	50	0.0	-76.64	406.74	3.22	-73.42
CC[N@@H+](C)CCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966340	1	50	0.0	-76.62	406.74	3.22	-73.40
CC1CCC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966386	0	51	0.0	-70.14	412.94	3.63	-66.51
CC1CCC[N@H+]1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966386	1	51	0.0	-66.25	405.34	3.33	-62.92
CC1CC[N@H+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024966388	0	51	0.0	-68.98	411.90	3.69	-65.29
CC1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024966388	1	51	0.0	-72.51	412.94	3.69	-68.82
CN(CCN(C)C(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966392	0	54	0.0	-72.29	431.70	4.21	-68.08
CN(CCN(C)C(=O)C[N@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966392	1	54	0.0	-68.68	431.88	4.19	-64.49
CN(CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966393	0	56	0.0	-72.97	436.42	4.49	-68.48
CN(CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966393	1	56	0.0	-69.61	434.47	4.34	-65.27
CC[C@@H](C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024966401	0	50	0.0	-66.44	394.38	2.83	-63.61
CN(CCN(C)C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966542	0	44	0.0	-70.26	366.91	1.94	-68.32
CN(CCN(C)C(=O)C[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966546	0	54	0.0	-72.34	417.72	3.99	-68.35
CN(CCN(C)C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966550	0	46	0.0	-71.29	397.87	5.45	-65.84
CN(CCN(C)C(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966556	0	51	0.0	-64.72	400.36	3.49	-61.23
CN(CCN(C)C(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966556	1	51	0.0	-66.18	400.11	3.49	-62.69
CN(CCN(C)C(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966561	0	52	0.0	-63.85	422.32	4.25	-59.60
CN(CCN(C)C(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966561	1	52	0.0	-69.17	415.31	4.13	-65.04
CC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024966584	0	48	0.0	-71.47	392.31	2.84	-68.63
CCC(CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024966588	0	56	0.0	-67.27	441.94	4.62	-62.65
CN(CCN(C)C(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966595	0	53	0.0	-67.09	403.49	3.23	-63.86
CN(CCN(C)C(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966609	0	53	0.0	-76.13	419.43	4.23	-71.90
CN(CCN(C)C(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966609	1	53	0.0	-77.03	415.90	5.02	-72.01
CN(CCN(C)C(=O)C[NH+]1CCC(O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966617	1	52	0.0	-78.43	419.45	0.47	-77.96
CN(CCN(C)C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966618	0	48	0.0	-69.97	395.91	3.34	-66.63
CN(CCN(C)C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966618	1	48	0.0	-70.02	395.91	3.35	-66.67
CC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024966619	1	56	0.0	-70.99	441.18	1.80	-69.19
CN(CCN(C)C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966637	0	48	0.0	-71.36	398.35	2.80	-68.56
CN(CCN(C)C(=O)C1CC[N@@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966641	0	55	0.0	-69.04	437.14	4.84	-64.20
CN(CCN(C)C(=O)C1CC[N@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966641	1	55	0.0	-72.37	431.71	4.33	-68.04
CN(CCN(C)C(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966649	0	54	0.0	-66.40	408.89	2.93	-63.47
CN(CCN(C)C(=O)C1CC[N@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966649	1	54	0.0	-70.12	411.48	2.99	-67.13
C[C@@H](C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024966660	0	47	0.0	-71.99	383.19	2.33	-69.66
CN(CCN(C)C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024966667	0	38	0.0	-21.71	343.88	-2.45	-24.16
CCC1CCC[N@H+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024966691	0	57	0.0	-69.70	440.88	5.04	-64.66
CCC1CCC[N@@H+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024966691	1	57	0.0	-73.45	447.62	5.07	-68.38
CN(CCN(C)C(=O)C1=CC=C(C[NH+](C)C)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966698	0	52	0.0	-93.02	427.87	3.63	-89.39
CN(CCN(C)C(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024966739	0	44	0.0	-69.81	393.71	2.12	-67.69
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300024966749	0	51	0.0	-76.38	417.09	0.00	-76.38
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300024966749	1	51	0.0	-75.75	417.04	-0.03	-75.78
C[C@@H](C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024966750	0	47	0.0	-71.99	383.19	2.33	-69.66
CN(CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966754	0	51	0.0	-65.76	406.77	3.52	-62.24
CN(CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966754	1	51	0.0	-74.28	399.46	3.17	-71.11
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966762	0	54	0.0	-73.04	416.14	0.56	-72.48
CC1CN2CC[N@H+]1CC2C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966762	1	54	0.0	-73.31	416.57	0.59	-72.72
CN(CCN(C)C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966822	1	45	0.0	-73.95	376.74	2.35	-71.60
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024966845	0	49	0.0	-79.28	404.40	3.49	-75.79
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024966845	1	49	0.0	-79.23	404.70	3.50	-75.73
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300024966875	0	51	0.0	-70.37	422.77	3.09	-67.28
C=CCC(C)(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024966894	0	54	0.0	-66.23	410.79	3.43	-62.80
CN(CCN(C)C(=O)C(O)CC[S+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966898	0	50	0.0	-73.40	428.11	1.43	-71.97
CN(CCN(C)C(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966923	0	52	0.0	-70.54	404.85	-1.08	-71.62
CN(CCN(C)C(=O)C1CN(C)CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966932	0	56	0.0	-67.99	433.32	1.41	-66.58
CN(CCN(C)C(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966932	1	56	0.0	-67.99	433.32	1.41	-66.58
CC1CN(CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024966949	0	48	0.0	-73.80	397.91	3.03	-70.77
CC1C[NH+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024966949	1	48	0.0	-73.80	397.91	3.03	-70.77
CN(CCO)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966971	0	48	0.0	-74.12	394.72	-0.63	-74.75
CN(CCN(C)C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966971	1	48	0.0	-70.14	394.50	-0.64	-70.78
CN(CCN(C)C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966971	1	48	0.0	-70.14	394.50	-0.64	-70.78
CN(CCN(C)C(=O)C1C[N@@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966990	0	54	0.0	-76.51	409.90	1.37	-75.14
CN(CCN(C)C(=O)C1C[N@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966990	1	54	0.0	-76.51	409.90	1.37	-75.14
CC[N@@H+]1CCCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024966995	0	54	0.0	-74.39	425.66	4.03	-70.36
CC[N@H+]1CCCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024966995	1	54	0.0	-74.39	425.66	4.03	-70.36
CC(CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024966997	0	53	0.0	-74.91	424.05	4.00	-70.91
CC[N@H+](C)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967004	0	47	0.0	-72.90	384.37	2.61	-70.29
CN(CCN(C)C(=O)C12CCC[N@@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967023	0	55	0.0	-63.83	414.36	3.73	-60.10
CN(CCN(C)C(=O)C12CCC[N@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967023	1	55	0.0	-63.83	414.36	3.73	-60.10
CN(CCN(C)C(=O)C12CCC[N@@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967028	0	53	0.0	-64.34	408.48	3.69	-60.65
CN(CCN(C)C(=O)C12CCC[N@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967028	1	53	0.0	-64.34	408.48	3.69	-60.65
CC[N@H+](CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024967047	0	51	0.0	-70.59	413.14	3.96	-66.63
CC[NH+](CC)CCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967059	0	53	0.0	-71.14	420.51	3.65	-67.49
CN(CCN(C)C(=O)CN1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967078	0	51	0.0	-74.05	416.97	3.54	-70.51
CN(CCN(C)C(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967078	1	51	0.0	-74.05	416.97	3.54	-70.51
CN(CCN(C)C(=O)C[N@@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967100	0	52	0.0	-69.88	423.31	0.34	-69.54
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024967107	0	48	0.0	-80.67	401.78	3.18	-77.49
CC(OCC[NH+](C)C)C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967124	0	54	0.0	-70.69	438.90	3.58	-67.11
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCOCC[NH+](C)C	REAL300024967131	0	54	0.0	-70.38	443.73	2.81	-67.57
COCCN(C)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967132	0	51	0.0	-69.80	416.48	1.75	-68.05
COCC[N@H+](C)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967132	1	51	0.0	-74.40	416.98	1.78	-72.62
COCC[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967132	1	51	0.0	-74.40	416.98	1.78	-72.62
CN(CCN(C)C(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967156	0	54	0.0	-79.88	407.65	3.57	-76.31
CC(CCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024967159	0	53	0.0	-70.56	424.26	3.74	-66.82
CC[N@@H+]1CCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967165	0	48	0.0	-73.96	397.83	2.87	-71.09
CC[N@H+]1CCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967165	1	48	0.0	-73.81	396.78	2.81	-71.00
CC(C)[N@@H+]1CCCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024967173	0	57	0.0	-65.98	434.42	4.66	-61.32
CC(C)[N@H+]1CCCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024967173	1	57	0.0	-68.08	440.84	4.49	-63.59
CN(CCN(C)C(=O)C[N@@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967184	0	52	0.0	-68.58	416.54	0.02	-68.56
CN(CCN(C)C(=O)C[N@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967184	1	52	0.0	-72.88	421.20	0.48	-72.40
CN(CCN(C)C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967204	0	55	0.0	-70.11	430.65	4.51	-65.60
CN(CCN(C)C(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967204	1	55	0.0	-68.71	430.84	4.51	-64.20
CN(CCN(C)C(=O)C1(C)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967210	0	54	0.0	-73.15	414.91	3.53	-69.62
CN(CCN(C)C(=O)C1=CC(C[NH+](C)C)=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967216	0	52	0.0	-74.69	428.67	3.57	-71.12
C=CCC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024967235	0	51	0.0	-69.02	407.82	3.33	-65.69
CN(CCN(C)C(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967244	0	54	0.0	-67.85	424.75	3.63	-64.22
CN(CCN(C)C(=O)C1CC(C)(C)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967244	1	54	0.0	-67.10	425.27	3.64	-63.46
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCCC[NH+](C)C	REAL300024967247	0	56	0.0	-72.29	453.77	4.92	-67.37
CN(CCN(C)C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967254	0	49	0.0	-73.50	401.99	3.82	-69.68
CC1C[N@@H+]2CCN1C(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024967277	0	54	0.0	-74.91	416.53	0.64	-74.27
CC1C[N@H+]2CCN1C(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024967277	1	54	0.0	-83.82	416.41	0.66	-83.16
CCCC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024967278	0	53	0.0	-70.33	415.87	3.62	-66.71
CN(CCN(C)C(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967282	0	50	0.0	-68.66	387.11	2.68	-65.98
CN(CCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967315	0	51	0.0	-67.78	395.33	3.04	-64.74
CN(CCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967315	1	51	0.0	-74.32	399.44	3.18	-71.14
CN(CCN(C)C(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967346	0	52	0.0	-70.08	426.05	4.32	-65.76
CN(CCN(C)C(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967346	1	52	0.0	-68.63	426.04	4.31	-64.32
CN(CCN(C)C(=O)CC1([NH+]2CCCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967354	0	55	0.0	-72.75	430.62	4.65	-68.10
CN(CCN(C)C(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967391	1	51	0.0	-87.65	428.47	3.86	-83.79
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300024967405	0	52	0.0	-79.64	426.38	4.26	-75.38
CN(CCN(C)C(=O)C1CC[NH+](C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967423	0	55	0.0	-79.00	432.31	4.62	-74.38
CN(CCN(C)C(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967440	0	48	0.0	-69.93	388.04	2.63	-67.30
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024967442	0	51	0.0	-75.99	414.97	3.71	-72.28
CN(CCN(C)C(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967474	0	51	0.0	-75.03	399.53	0.03	-75.00
CN(CCN(C)C(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967482	0	49	0.0	-77.74	393.66	2.94	-74.80
CN(CCN(C)C(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967482	1	49	0.0	-79.45	392.83	3.26	-76.19
CN(CCN(C)C(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967493	0	52	0.0	-67.42	413.64	4.06	-63.36
CN(CCN(C)C(=O)C[N@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967493	1	52	0.0	-70.24	410.54	3.84	-66.40
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300024967529	0	53	0.0	-67.90	422.23	4.36	-63.54
CN(CCN(C)C(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967539	1	50	0.0	-66.03	405.73	3.82	-62.21
CN(CCN(C)C(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967539	1	50	0.0	-71.33	406.88	3.95	-67.38
CC[NH+]1CCN(CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024967565	0	56	0.0	-73.57	443.40	2.13	-71.44
CC(C[NH+](C)C)C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967579	0	50	0.0	-67.86	399.87	3.06	-64.80
CN(CCN(C)C(=O)CC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967640	0	54	0.0	-65.30	418.68	4.07	-61.23
CN(CCN(C)C(=O)CC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967640	1	54	0.0	-72.49	426.26	4.18	-68.31
CC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024967654	0	51	0.0	-71.36	408.27	3.24	-68.12
CC1CC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967656	0	48	0.0	-68.45	398.20	3.02	-65.43
CC1CC[N@H+]1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967656	1	48	0.0	-67.43	392.69	2.74	-64.69
CN(CCN(C)C(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967659	0	51	0.0	-75.50	419.61	0.97	-74.53
CC1C[N@H+](C)CC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024967683	1	52	0.0	-79.68	413.05	2.54	-77.14
CC1C[N@@H+](C)CC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024967683	1	52	0.0	-79.73	414.75	2.57	-77.16
CCC[N@@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967692	0	57	0.0	-69.98	446.38	4.93	-65.05
CCC[N@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967692	1	57	0.0	-72.81	438.81	4.62	-68.19
CN(CCN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967748	0	51	0.0	-76.79	415.78	3.68	-73.11
CC(CC[NH+](C)C)C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967755	0	53	0.0	-77.06	421.76	3.58	-73.48
C#CC[N@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967776	1	53	0.0	-65.07	431.75	4.67	-60.40
C#CC[N@@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967776	1	53	0.0	-73.10	424.80	4.37	-68.73
CN(CCN(C)C(=O)CN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967779	1	53	0.0	-75.15	425.77	1.46	-73.69
CC[NH+]1CCN(CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024967786	0	56	0.0	-73.57	443.40	2.13	-71.44
CN(CCN(C)C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967956	0	48	0.0	-71.84	391.81	2.79	-69.05
CN(CCN(C)C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967956	1	48	0.0	-70.87	391.54	2.80	-68.07
CN(CCN(C)C(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967982	1	49	0.0	-88.87	400.74	2.26	-86.61
CN(CCN(C)C(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967982	1	49	0.0	-78.74	398.85	2.21	-76.53
CC1=[NH+]C=CN1CCCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968139	1	52	0.0	-68.24	437.88	4.89	-63.35
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCOCC1	REAL300024968143	1	52	0.0	-79.03	421.91	2.00	-77.03
CN(CCN(C)C(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968161	0	52	0.0	-69.41	404.24	3.32	-66.09
CN(CCN(C)C(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968169	1	46	0.0	-83.76	393.70	5.12	-78.64
CN(CCN(C)C(=O)C1CCCC([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968215	0	57	0.0	-67.39	434.04	4.35	-63.04
CN(CCN(C)C(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968217	0	51	0.0	-78.91	413.08	3.57	-75.34
CN(CCN(C)C(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968217	1	51	0.0	-73.30	412.91	3.57	-69.73
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968227	0	50	0.0	-84.70	418.17	1.76	-82.94
CCC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024968231	0	50	0.0	-72.63	397.52	3.06	-69.57
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300024968280	0	53	0.0	-72.92	432.27	4.14	-68.78
CC(C)C(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024968298	0	53	0.0	-72.23	409.69	3.68	-68.55
CCC[N@H+](C)CCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968300	0	53	0.0	-77.36	428.24	3.95	-73.41
CCC[N@@H+](C)CCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968300	1	53	0.0	-77.34	428.24	3.96	-73.38
CCC[N@H+](C)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968305	0	50	0.0	-69.71	406.14	3.36	-66.35
CCC[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968305	1	50	0.0	-73.06	405.87	3.35	-69.71
CN(CCN(C)C(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968325	0	52	0.0	-74.65	399.03	2.75	-71.90
CN(CCN(C)C(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968325	1	52	0.0	-74.63	398.92	2.80	-71.83
CC1CC[NH+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024968374	0	54	0.0	-74.08	429.70	4.44	-69.64
CN(CCN(C)C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968433	0	55	0.0	-70.11	430.65	4.51	-65.60
CN(CCN(C)C(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968433	1	55	0.0	-68.71	430.84	4.51	-64.20
CN(CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968442	0	51	0.0	-69.69	414.95	3.52	-66.17
CC(C)[NH+]1CCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024968451	0	57	0.0	-78.19	438.85	4.38	-73.81
CC[N@H+](C)CCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968467	0	50	0.0	-76.64	406.74	3.22	-73.42
CC[N@@H+](C)CCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968467	1	50	0.0	-76.62	406.74	3.22	-73.40
CN(CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968486	0	57	0.0	-73.75	429.11	4.26	-69.49
CN(CCN(C)C(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968494	0	52	0.0	-74.59	403.80	3.48	-71.11
CN(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968553	0	51	0.0	-74.34	407.61	3.42	-70.92
CC(C)[C@H](C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024968571	0	53	0.0	-68.67	410.85	3.73	-64.94
CC[NH+](CC)CC(F)C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968651	0	53	0.0	-69.86	429.26	3.98	-65.88
CC(C)C[N@@H+]1CCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024968677	0	57	0.0	-75.37	447.92	4.79	-70.58
CC(C)C[N@H+]1CCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024968677	1	57	0.0	-70.93	447.74	4.74	-66.19
CN(CCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968680	0	51	0.0	-79.94	398.48	3.17	-76.77
CCC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024968710	0	56	0.0	-66.60	427.92	4.11	-62.49
CC1CCC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968726	0	51	0.0	-70.14	412.94	3.63	-66.51
CC1CCC[N@H+]1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968726	1	51	0.0	-66.25	405.34	3.33	-62.92
CC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300024968771	0	57	0.0	-70.60	435.23	4.68	-65.92
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968773	0	57	0.0	-68.36	429.64	4.18	-64.18
CC(C)[N@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968773	1	57	0.0	-67.67	437.79	4.42	-63.25
CC(C)[N@@H+]1CCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968791	0	54	0.0	-64.99	422.12	3.90	-61.09
CC(C)[N@H+]1CCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968791	1	54	0.0	-65.66	417.75	4.37	-61.29
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968797	0	57	0.0	-73.62	437.71	4.26	-69.36
CC(C)[N@H+]1CCCC1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968797	1	57	0.0	-63.65	435.98	4.52	-59.13
CC(C)[C@@H](C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024968807	0	53	0.0	-72.53	408.94	3.56	-68.97
CC1CC[N@H+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024968825	0	51	0.0	-68.98	411.90	3.69	-65.29
CC1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024968825	1	51	0.0	-72.51	412.94	3.69	-68.82
CN(CCN(C)C(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968829	0	54	0.0	-72.29	431.70	4.21	-68.08
CN(CCN(C)C(=O)C[N@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968829	1	54	0.0	-68.68	431.88	4.19	-64.49
CN(CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968830	0	56	0.0	-72.97	436.42	4.49	-68.48
CN(CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968830	1	56	0.0	-69.61	434.47	4.34	-65.27
CC[C@@H](C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024968838	0	50	0.0	-66.44	394.38	2.83	-63.61
CC1=[NH+]C=CN1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968997	1	46	0.0	-70.25	396.07	3.55	-66.70
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCCC1	REAL300024969011	0	57	0.0	-76.63	451.69	5.19	-71.44
CN(CCN(C)C(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969023	1	50	0.0	-82.95	422.00	3.26	-79.69
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969049	1	52	0.0	-68.88	432.29	4.69	-64.19
CN(CCN(C)C(=O)C1CCCC2CCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969075	0	55	0.0	-65.75	419.55	4.12	-61.63
CN(CCN(C)C(=O)C1CCCC2CCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969075	1	55	0.0	-62.87	426.68	4.53	-58.34
CC[N@@H+]1CCOC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024969088	1	52	0.0	-76.45	418.45	2.88	-73.57
CC[N@H+]1CCOC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024969088	1	52	0.0	-69.90	409.97	2.69	-67.21
CN(CCN(C)C(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969126	0	46	0.0	-80.74	401.44	5.32	-75.42
CC1=C[NH+]=CN1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969130	1	46	0.0	-72.97	395.35	4.24	-68.73
C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024969139	0	51	0.0	-71.61	400.72	3.19	-68.42
C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024969139	1	51	0.0	-79.29	408.71	3.21	-76.08
CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024969143	0	54	0.0	-71.44	421.76	3.47	-67.97
CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024969143	1	54	0.0	-76.92	424.96	3.82	-73.10
CC1CCC(C)[NH+]1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969153	0	54	0.0	-69.65	423.37	3.83	-65.82
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCC1	REAL300024969157	0	54	0.0	-76.38	436.47	4.52	-71.86
C#CC[NH+]1CCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024969162	0	53	0.0	-81.97	430.95	4.51	-77.46
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCC1	REAL300024969163	0	54	0.0	-75.75	430.19	4.37	-71.38
CC[N@@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969168	0	54	0.0	-72.62	417.29	3.83	-68.79
CC[N@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969168	1	54	0.0	-69.26	423.98	4.11	-65.15
CN(CCN(C)C(=O)CC1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969200	0	57	0.0	-72.70	430.74	4.41	-68.29
CN(CCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969311	0	51	0.0	-67.73	413.03	3.92	-63.81
CN(CCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969311	1	51	0.0	-70.82	412.86	3.91	-66.91
CC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300024969328	0	57	0.0	-63.40	436.66	4.29	-59.11
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+]1CCCC1	REAL300024969339	0	57	0.0	-77.92	457.97	5.30	-72.62
CN(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969348	0	51	0.0	-74.34	407.61	3.42	-70.92
CN(CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969382	0	48	0.0	-66.80	389.05	2.80	-64.00
CN(CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969382	1	48	0.0	-68.37	385.87	2.48	-65.89
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969401	1	50	0.0	-71.00	412.10	3.71	-67.29
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969401	1	50	0.0	-71.26	415.01	3.98	-67.28
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL300024969406	0	54	0.0	-74.64	428.57	4.01	-70.63
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL300024969406	1	54	0.0	-72.67	434.30	4.48	-68.19
CN(CCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969413	0	55	0.0	-75.86	414.27	3.65	-72.21
CN(CCN(C)C(=O)C1CCC2CCCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969416	0	55	0.0	-64.20	430.69	4.71	-59.49
CN(CCN(C)C(=O)C1CCC2CCCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969416	1	55	0.0	-64.26	431.25	4.73	-59.53
CCC[N@@H+]1CCCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024969475	0	57	0.0	-66.53	439.25	4.88	-61.65
CCC[N@H+]1CCCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024969475	1	57	0.0	-74.91	445.41	4.71	-70.20
CN(CCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969508	0	51	0.0	-67.78	395.33	3.04	-64.74
CN(CCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969508	1	51	0.0	-74.32	399.44	3.18	-71.14
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969526	0	57	0.0	-71.34	451.01	4.97	-66.37
CC(C)C[N@H+]1CCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969526	1	57	0.0	-71.35	447.68	4.97	-66.38
CC1C(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024969577	0	51	0.0	-69.34	404.27	3.03	-66.31
CC1C(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024969577	1	51	0.0	-71.82	403.29	3.23	-68.59
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@@H+]1C	REAL300024969579	0	57	0.0	-69.67	448.22	4.92	-64.75
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@H+]1C	REAL300024969579	1	57	0.0	-69.75	447.98	4.92	-64.83
CN(CCN(C)C(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969656	0	54	0.0	-66.40	408.89	2.93	-63.47
CN(CCN(C)C(=O)C1CC[N@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969656	1	54	0.0	-70.12	411.48	2.99	-67.13
C[C@@H](C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024969674	0	47	0.0	-71.99	383.19	2.33	-69.66
C=CCC(C)(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024969688	0	54	0.0	-66.23	410.79	3.43	-62.80
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024969708	0	51	0.0	-75.99	414.97	3.71	-72.28
CN(CCN(C)C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969718	1	48	0.0	-74.12	394.72	-0.63	-74.75
CN(CCN(C)C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969718	1	48	0.0	-70.14	394.50	-0.64	-70.78
CN(CCN(C)C(=O)C1C[N@@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969747	0	54	0.0	-74.40	413.45	1.18	-73.22
CN(CCN(C)C(=O)C1C[N@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969747	1	54	0.0	-76.51	409.90	1.37	-75.14
CN(CCN(C)C(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969791	0	52	0.0	-70.08	426.05	4.32	-65.76
CN(CCN(C)C(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969791	1	52	0.0	-68.63	426.04	4.31	-64.32
CN(CCN(C)C(=O)C(O)CC[S+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969805	0	50	0.0	-73.40	428.11	1.43	-71.97
CN(CCN(C)C(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969823	0	52	0.0	-69.95	405.66	-0.25	-70.20
CN(CCN(C)C(=O)C1(C)CC(O)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969823	1	52	0.0	-70.54	404.85	-1.08	-71.62
CN(CCN(C)C(=O)C1CN(C)CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969832	0	56	0.0	-68.47	438.69	1.94	-66.53
CN(CCN(C)C(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969832	1	56	0.0	-67.99	433.32	1.41	-66.58
CC1C[NH+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024969860	1	48	0.0	-73.80	397.91	3.03	-70.77
CC[N@@H+]1CCCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024969866	0	54	0.0	-65.53	419.06	4.27	-61.26
CC[N@H+]1CCCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024969866	1	54	0.0	-74.39	425.66	4.03	-70.36
CN(CCN(C)C(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969881	0	52	0.0	-63.85	422.32	4.25	-59.60
CN(CCN(C)C(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969881	1	52	0.0	-69.17	415.31	4.13	-65.04
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300024969916	0	52	0.0	-79.64	426.38	4.26	-75.38
CN(CCN(C)C(=O)C1CC[NH+](C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969934	0	55	0.0	-79.00	432.31	4.62	-74.38
CC[N@H+](C)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969971	0	47	0.0	-72.90	384.37	2.61	-70.29
CN(CCN(C)C(=O)CN1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970014	0	50	0.0	-66.03	405.73	3.82	-62.21
CN(CCN(C)C(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970014	1	50	0.0	-71.33	406.88	3.95	-67.38
CN(CCN(C)C(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970014	1	50	0.0	-71.33	406.88	3.95	-67.38
CN(CCN(C)C(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970081	0	51	0.0	-75.03	399.53	0.03	-75.00
CN(CCN(C)C(=O)C12CCC[N@@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970114	0	55	0.0	-63.83	414.36	3.73	-60.10
CN(CCN(C)C(=O)C12CCC[N@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970114	1	55	0.0	-63.83	414.36	3.73	-60.10
CN(CCN(C)C(=O)C12CCC[N@@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970120	0	53	0.0	-64.34	408.48	3.69	-60.65
CN(CCN(C)C(=O)C12CCC[N@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970120	1	53	0.0	-64.34	408.48	3.69	-60.65
CC(OCC[NH+](C)C)C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970129	0	54	0.0	-70.69	438.90	3.58	-67.11
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCOCC[NH+](C)C	REAL300024970137	0	54	0.0	-70.38	443.73	2.81	-67.57
COCCN(C)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970139	0	51	0.0	-69.80	416.48	1.75	-68.05
COCC[N@H+](C)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970139	1	51	0.0	-74.40	416.98	1.78	-72.62
COCC[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970139	1	51	0.0	-74.40	416.98	1.78	-72.62
CC(CCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024970144	0	53	0.0	-70.56	424.26	3.74	-66.82
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[NH+](C)CC1	REAL300024970157	0	52	0.0	-72.23	419.74	4.25	-67.98
CC[N@H+](CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024970164	0	51	0.0	-69.20	411.89	3.75	-65.45
CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024970164	1	51	0.0	-70.59	413.14	3.96	-66.63
CC1C[N@@H+]2CCN1C(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024970177	0	54	0.0	-74.91	416.53	0.64	-74.27
CC1C[N@H+]2CCN1C(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024970177	1	54	0.0	-83.82	416.41	0.66	-83.16
CN(CCN(C)C(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970197	0	49	0.0	-77.74	393.66	2.94	-74.80
CN(CCN(C)C(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970197	1	49	0.0	-79.45	392.83	3.26	-76.19
CN(CCN(C)C(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970210	0	52	0.0	-67.42	413.64	4.06	-63.36
CN(CCN(C)C(=O)C[N@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970210	1	52	0.0	-70.24	410.54	3.84	-66.40
CC(C[NH+](C)C)C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970229	0	50	0.0	-67.86	399.87	3.06	-64.80
CN(CCN(C)C(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970242	0	48	0.0	-69.93	388.04	2.63	-67.30
C[C@H](C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024970265	0	47	0.0	-72.01	382.82	2.31	-69.70
CC[N@@H+]1CCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970271	0	48	0.0	-73.96	397.83	2.87	-71.09
CC[N@H+]1CCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970271	1	48	0.0	-73.81	396.78	2.81	-71.00
CC(C)[N@@H+]1CCCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024970281	0	57	0.0	-65.98	434.42	4.66	-61.32
CC(C)[N@H+]1CCCC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024970281	1	57	0.0	-68.08	440.84	4.49	-63.59
CCC(C)(C)[NH2+]C(C)C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970291	0	56	0.0	-71.95	430.04	2.58	-69.37
C#CC[N@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970328	1	53	0.0	-65.07	431.75	4.67	-60.40
C#CC[N@@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970328	1	53	0.0	-73.10	424.80	4.37	-68.73
CN(CCN(C)C(=O)C1=C[NH+]=CC=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970330	0	44	0.0	-77.31	376.08	-0.12	-77.43
CCCC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024970339	0	53	0.0	-70.33	415.87	3.62	-66.71
CN(CCN(C)C(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970346	0	50	0.0	-68.66	387.11	2.68	-65.98
CC(CC[NH+](C)C)C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970364	0	53	0.0	-77.06	421.76	3.58	-73.48
CN(CCN(C)C(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970416	0	53	0.0	-76.13	419.43	4.23	-71.90
CN(CCN(C)C(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970416	1	53	0.0	-77.03	415.90	5.02	-72.01
CN(CCN(C)C(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970443	0	54	0.0	-67.85	424.75	3.63	-64.22
CN(CCN(C)C(=O)C1CC(C)(C)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970443	1	54	0.0	-67.10	425.27	3.64	-63.46
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCCC[NH+](C)C	REAL300024970446	0	56	0.0	-72.29	453.77	4.92	-67.37
CCC[N@@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970452	0	57	0.0	-69.98	446.38	4.93	-65.05
CCC[N@H+]1CCCCC1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970452	1	57	0.0	-72.81	438.81	4.62	-68.19
CN(CCN(C)C(=O)CN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970461	1	53	0.0	-75.15	425.77	1.46	-73.69
CC1C[N@H+](C)CC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024970537	1	52	0.0	-79.68	413.05	2.54	-77.14
CC1C[N@@H+](C)CC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024970537	1	52	0.0	-79.73	414.75	2.57	-77.16
CCC1CCC[N@H+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024970564	0	57	0.0	-69.70	440.88	5.04	-64.66
CCC1CCC[N@@H+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024970564	1	57	0.0	-73.45	447.62	5.07	-68.38
CN(CCN(C)C(=O)C1=CC=C(C[NH+](C)C)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970572	0	52	0.0	-93.02	427.87	3.63	-89.39
CN(CCN(C)C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970584	0	49	0.0	-73.50	401.99	3.82	-69.68
CN(CCN(C)C(=O)CC1([NH+]2CCCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970595	0	55	0.0	-72.75	430.62	4.65	-68.10
CN(CCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970626	0	51	0.0	-67.78	395.33	3.04	-64.74
CN(CCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970626	1	51	0.0	-74.32	399.44	3.18	-71.14
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024970721	0	49	0.0	-79.28	404.40	3.49	-75.79
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024970721	1	49	0.0	-79.23	404.70	3.50	-75.73
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC1=CC=[NH+]C=C1	REAL300024970726	0	47	0.0	-76.68	402.36	1.22	-75.46
CN(CCN(C)C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024970766	0	38	0.0	-21.71	343.88	-2.45	-24.16
CC[NH+]1CCN(CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024970773	0	56	0.0	-73.57	443.40	2.13	-71.44
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300024970776	0	53	0.0	-67.90	422.23	4.36	-63.54
CN(CCN(C)C(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970806	0	54	0.0	-79.88	407.65	3.57	-76.31
CCC1C[NH+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024970816	0	51	0.0	-74.39	419.30	3.80	-70.59
CN(CCN(C)C(=O)C1([NH+]2CCCC2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970819	0	55	0.0	-66.28	422.74	4.24	-62.04
CN(CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970830	0	48	0.0	-72.92	385.48	2.47	-70.45
CN(CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970830	1	48	0.0	-66.53	391.28	2.78	-63.75
CN(CCN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970951	0	51	0.0	-76.79	415.78	3.68	-73.11
CN(CCN(C)C(=O)C1CCC([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970962	0	57	0.0	-83.76	440.54	4.50	-79.26
CN(CCN(C)C(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970963	0	54	0.0	-72.32	438.41	4.34	-67.98
CN(CCN(C)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970964	0	57	0.0	-71.28	434.03	4.37	-66.91
CN(CCN(C)C(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970965	0	52	0.0	-79.61	417.95	4.05	-75.56
CN(CCN(C)C(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970965	1	52	0.0	-79.61	417.95	4.05	-75.56
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300024971015	0	51	0.0	-70.37	422.77	3.09	-67.28
CN(CCN(C)C(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024971052	0	44	0.0	-69.81	393.71	2.12	-67.69
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971116	0	54	0.0	-74.31	439.44	3.56	-70.75
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCCC1	REAL300024971146	0	57	0.0	-77.94	440.66	4.62	-73.32
CN(CCN(C)C(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971149	0	51	0.0	-73.21	408.47	3.82	-69.39
CN(CCN(C)C(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971151	0	51	0.0	-64.72	400.36	3.49	-61.23
CN(CCN(C)C(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971151	1	51	0.0	-66.18	400.11	3.49	-62.69
CN(CCN(C)C(=O)C[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971152	0	54	0.0	-72.34	417.72	3.99	-68.35
CN(CCN(C)C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971157	0	46	0.0	-71.29	397.87	5.45	-65.84
CN(CCN(C)C(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971172	1	51	0.0	-87.65	428.47	3.86	-83.79
CN(CCN(C)C(=O)C[NH+]1CCC(O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971187	1	52	0.0	-78.43	419.45	0.47	-77.96
CN(CCN(C)C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971191	0	48	0.0	-69.97	395.91	3.34	-66.63
CN(CCN(C)C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971191	1	48	0.0	-70.02	395.91	3.35	-66.67
CC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024971193	1	56	0.0	-70.99	441.18	1.80	-69.19
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+]1CCC(F)C1	REAL300024971195	0	51	0.0	-76.17	421.52	3.81	-72.36
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+]1CCC(F)C1	REAL300024971195	1	51	0.0	-76.35	420.84	3.78	-72.57
CCOCC(N=[N+]=[N-])C(=O)N(C)CCN(C)C(=O)CSC1=NC(=O)NN1	REAL300024971211	0	48	0.0	-21.21	416.81	-1.88	-23.09
CC(CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024971217	0	53	0.0	-74.91	424.05	4.00	-70.91
CN(CCN(C)C(=O)C1CC[N@@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971229	0	53	0.0	-74.14	424.05	2.19	-71.95
CN(CCN(C)C(=O)C1CC[N@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971229	1	53	0.0	-67.45	416.63	2.11	-65.34
CN(CCN(C)C(=O)CC1COCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971245	1	52	0.0	-68.09	409.77	1.65	-66.44
CN(CCN(C)C(=O)CC1COCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971245	1	52	0.0	-67.51	410.04	1.66	-65.85
CC[NH+]1CCN(CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024971252	0	56	0.0	-73.57	443.40	2.13	-71.44
CN(CCN(C)C(=O)C[N@@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971336	0	52	0.0	-73.86	423.18	0.36	-73.50
CN(CCN(C)C(=O)C[N@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971336	1	52	0.0	-69.88	423.31	0.34	-69.54
CN(CCN(C)C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971366	0	48	0.0	-71.36	398.35	2.80	-68.56
CN(CCN(C)C(=O)C1CC[N@@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971370	0	55	0.0	-69.04	437.14	4.84	-64.20
CN(CCN(C)C(=O)C1CC[N@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971370	1	55	0.0	-72.37	431.71	4.33	-68.04
CN(CCN(C)C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971378	0	44	0.0	-70.26	366.91	1.94	-68.32
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300024971402	0	51	0.0	-76.38	417.09	0.00	-76.38
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300024971402	1	51	0.0	-75.75	417.04	-0.03	-75.78
C[C@@H](C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024971403	0	47	0.0	-71.99	383.19	2.33	-69.66
CN(CCN(C)C(=O)CC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971420	0	54	0.0	-65.30	418.68	4.07	-61.23
CN(CCN(C)C(=O)CC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971420	1	54	0.0	-72.49	426.26	4.18	-68.31
CC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024971437	0	51	0.0	-71.36	408.27	3.24	-68.12
CC1CC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971439	0	48	0.0	-68.45	398.20	3.02	-65.43
CC1CC[N@H+]1CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971439	1	48	0.0	-67.43	392.69	2.74	-64.69
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024971450	0	48	0.0	-80.67	401.78	3.18	-77.49
CN(CCN(C)C(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971460	1	51	0.0	-74.05	416.97	3.54	-70.51
CC1=C(C)[NH+]=C(CCC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024971473	1	52	0.0	-70.77	436.88	3.28	-67.49
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CSCC[NH+](C)C	REAL300024971490	0	51	0.0	-75.51	433.81	3.95	-71.56
CN(CCN(C)C(=O)C[N@@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971512	0	52	0.0	-68.58	416.54	0.02	-68.56
CN(CCN(C)C(=O)C[N@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971512	1	52	0.0	-72.88	421.20	0.48	-72.40
CC[NH+](CC)CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971516	0	50	0.0	-71.49	398.23	3.01	-68.48
CN(CCN(C)C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971526	1	45	0.0	-73.95	376.74	2.35	-71.60
CC[NH+](CC)CCC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971564	0	53	0.0	-71.14	420.51	3.65	-67.49
CN(CCN(C)C(=O)C1=CC(C[NH+](C)C)=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971618	0	52	0.0	-74.69	428.67	3.57	-71.12
CN(CCN(C)C(=O)C1CC2COCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971638	0	53	0.0	-72.03	421.68	2.12	-69.91
CN(CCN(C)C(=O)C1CC2COCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971638	1	53	0.0	-77.54	421.55	2.12	-75.42
CC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024971648	0	48	0.0	-71.47	392.31	2.84	-68.63
CCC(CC(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024971653	0	56	0.0	-67.27	441.94	4.62	-62.65
CN(CCN(C)C(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971661	0	53	0.0	-67.09	403.49	3.23	-63.86
CN(CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971711	0	51	0.0	-65.76	406.77	3.52	-62.24
CN(CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971711	1	51	0.0	-74.28	399.46	3.17	-71.11
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971723	0	54	0.0	-73.04	416.14	0.56	-72.48
CC1CN2CC[N@H+]1CC2C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971723	1	54	0.0	-73.31	416.57	0.59	-72.72
CN(CCN(C)C(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971743	0	51	0.0	-75.50	419.61	0.97	-74.53
CN(CCN(C)C(=O)C1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971745	0	55	0.0	-66.48	403.79	4.00	-62.48
C=CCC(C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024971773	0	51	0.0	-69.02	407.82	3.33	-65.69
CN(CCN(C)C(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971779	0	55	0.0	-70.11	430.65	4.51	-65.60
CN(CCN(C)C(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971779	1	55	0.0	-68.71	430.84	4.51	-64.20
CN(CCN(C)C(=O)C1(C)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971790	0	54	0.0	-73.15	414.91	3.53	-69.62
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300024971815	0	42	0.0	-71.50	374.83	-1.02	-72.52
CN(CCN(C)C(=O)C1CCC([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971851	0	57	0.0	-83.76	440.54	4.50	-79.26
CN(CCN(C)C(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971852	0	54	0.0	-72.32	438.41	4.34	-67.98
CN(CCN(C)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971853	0	57	0.0	-71.28	434.03	4.37	-66.91
CN(CCN(C)C(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971854	0	52	0.0	-79.61	417.95	4.05	-75.56
CN(CCN(C)C(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971854	1	52	0.0	-79.61	417.95	4.05	-75.56
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971875	0	54	0.0	-74.31	439.44	3.56	-70.75
CN(CCN(C)C(=O)C1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971898	0	55	0.0	-66.48	403.79	4.00	-62.48
CCC1C[NH+](CC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024971988	0	51	0.0	-74.39	419.30	3.80	-70.59
CN(CCN(C)C(=O)C1([NH+]2CCCC2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971990	0	55	0.0	-66.28	422.74	4.24	-62.04
CN(CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971997	0	48	0.0	-72.92	385.48	2.47	-70.45
CN(CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971997	1	48	0.0	-66.53	391.28	2.78	-63.75
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+]1CCC(F)C1	REAL300024972004	1	51	0.0	-76.35	420.84	3.78	-72.57
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCCC1	REAL300024972018	0	57	0.0	-77.94	440.66	4.62	-73.32
CN(CCN(C)C(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024972020	0	51	0.0	-73.21	408.47	3.82	-69.39
CC1C(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024972028	0	51	0.0	-69.34	404.27	3.03	-66.31
CC1C(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024972028	1	51	0.0	-71.82	403.29	3.23	-68.59
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@@H+]1C	REAL300024972030	0	57	0.0	-69.67	448.22	4.92	-64.75
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@H+]1C	REAL300024972030	1	57	0.0	-69.75	447.98	4.92	-64.83
CN(CCN(C)C(=O)C1CC[N@@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024972051	0	53	0.0	-74.14	424.05	2.19	-71.95
CN(CCN(C)C(=O)C1CC[N@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024972051	1	53	0.0	-67.45	416.63	2.11	-65.34
CN(CCN(C)C(=O)CC1COCCN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024972067	0	52	0.0	-67.51	410.04	1.66	-65.85
CN(CCN(C)C(=O)CC1COCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024972067	1	52	0.0	-68.09	409.77	1.65	-66.44
CN(CCN(C)C(=O)CC1COCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024972067	1	52	0.0	-67.51	410.04	1.66	-65.85
CC1=C(C)[NH+]=C(CCC(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024972074	1	52	0.0	-70.77	436.88	3.28	-67.49
CCOCC(N=[N+]=[N-])C(=O)N(C)CCN(C)C(=O)CSC1=NC(=O)NN1	REAL300024972078	0	48	0.0	-21.21	416.81	-1.88	-23.09
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CSCC[NH+](C)C	REAL300024972142	0	51	0.0	-75.51	433.81	3.95	-71.56
CN(CCN(C)C(=O)C1CC2COCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024972148	0	53	0.0	-72.03	421.68	2.12	-69.91
CN(CCN(C)C(=O)C1CC2COCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024972148	1	53	0.0	-77.54	421.55	2.12	-75.42
C[N@@H+]1CCCC1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972310	0	52	0.0	-63.61	410.09	1.36	-62.25
C[N@H+]1CCCC1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972310	1	52	0.0	-63.62	410.08	1.37	-62.25
C[N@@H+]1CCOC(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024972334	1	53	0.0	-78.24	424.81	0.75	-77.49
C[N@H+]1CCOC(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024972334	1	53	0.0	-69.70	420.38	1.12	-68.58
CC1=[NH+]C=CN1CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972473	1	50	0.0	-63.15	419.57	2.43	-60.72
C[C@@H]1[C@H](C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024972491	0	55	0.0	-65.72	427.93	2.00	-63.72
C[C@@H]1[C@H](C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024972491	1	55	0.0	-65.91	433.27	2.11	-63.80
C[NH+](C)C1(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024972511	0	55	0.0	-66.57	421.73	2.34	-64.23
CC(C)[C@@H](C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024972513	0	57	0.0	-70.29	438.94	2.02	-68.27
C[N@H+](CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024972522	0	55	0.0	-63.52	436.27	2.80	-60.72
C[N@@H+](CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024972522	1	55	0.0	-68.87	442.11	2.39	-66.48
C[NH+]1CCC(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024972546	0	55	0.0	-73.83	440.47	2.05	-71.78
C[N@@H+]1CCCCC1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972552	0	55	0.0	-63.92	433.01	2.45	-61.47
C[N@H+]1CCCCC1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972552	1	55	0.0	-69.10	436.98	2.09	-67.01
CC1=C[NH+]=CN1CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972569	1	50	0.0	-71.49	424.69	2.83	-68.66
C[N@@H+]1CCC(CC(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024972579	0	55	0.0	-67.73	436.94	2.38	-65.35
C[N@H+]1CCC(CC(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024972579	1	55	0.0	-68.07	436.92	2.41	-65.66
CCC(C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024972582	0	54	0.0	-64.81	421.97	1.76	-63.05
C[NH+](C)CCCCC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972596	0	57	0.0	-74.40	460.29	2.63	-71.77
CC(C)C(C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024972599	0	57	0.0	-65.19	436.17	2.79	-62.40
CCC[N@H+](C)CCC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972600	0	57	0.0	-67.33	451.74	2.78	-64.55
CCC[N@@H+](C)CCC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972600	1	57	0.0	-67.43	451.77	2.77	-64.66
CCC[N@H+](C)CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972601	0	54	0.0	-65.37	429.37	2.23	-63.14
CCC[N@@H+](C)CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972601	1	54	0.0	-70.60	435.11	1.80	-68.80
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972616	0	52	0.0	-71.13	415.54	0.93	-70.20
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972616	1	52	0.0	-68.04	421.78	1.46	-66.58
CC[NH+](CC)CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972628	0	54	0.0	-69.76	426.51	1.57	-68.19
C[NH+](C)CC1(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024972682	0	55	0.0	-63.23	442.75	2.59	-60.64
C[NH+]1CCC(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024972704	0	55	0.0	-73.83	440.47	2.05	-71.78
CC(C)[C@H](C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024972719	0	57	0.0	-69.06	444.29	2.50	-66.56
CC[N@H+](C)CCC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972746	0	54	0.0	-66.75	430.28	2.02	-64.73
CC[N@@H+](C)CCC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972746	1	54	0.0	-66.84	430.27	2.02	-64.82
CC1CCC[N@@H+]1CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972756	0	55	0.0	-68.38	440.40	2.28	-66.10
CC1CCC[N@H+]1CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972756	1	55	0.0	-67.41	434.16	1.78	-65.63
CC1CC[N@H+](CC(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024972757	0	55	0.0	-69.26	441.85	2.04	-67.22
CC1CC[N@@H+](CC(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024972757	1	55	0.0	-64.35	435.42	2.51	-61.84
CC[C@@H](C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024972759	0	54	0.0	-70.73	428.62	1.65	-69.08
C[NH+](C)CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972795	0	48	0.0	-71.66	394.92	0.48	-71.18
CN1C=C[N+](CC(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024972796	0	50	0.0	-68.05	427.11	3.90	-64.15
C[N@@H+]1CCCC(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024972799	0	55	0.0	-66.64	434.66	2.45	-64.19
C[N@H+]1CCCC(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024972799	1	55	0.0	-63.92	433.84	2.21	-61.71
CC(C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024972806	1	52	0.0	-63.31	418.37	1.89	-61.42
C[NH+](C)CC(C)(C)C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972809	0	57	0.0	-71.61	444.76	2.23	-69.38
C[N@H+](CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024972816	0	52	0.0	-62.91	419.44	2.22	-60.69
C[N@@H+](CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024972816	1	52	0.0	-63.14	419.55	2.23	-60.91
C[NH+]1CC(CC(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024972827	0	52	0.0	-67.53	421.58	1.64	-65.89
C[C@@H](C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024972839	0	51	0.0	-70.49	413.10	0.89	-69.60
[N-]=[N+]=NCC(=O)NC1CCCC1CNC(=O)CSC1=NC(=O)NN1	REAL300024972846	0	42	0.0	-25.67	371.89	-3.91	-29.58
C[C@@H](C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024972877	0	51	0.0	-70.49	413.10	0.89	-69.60
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972880	0	55	0.0	-68.27	427.68	1.90	-66.37
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972880	1	55	0.0	-62.00	433.02	2.45	-59.55
C[N@@H+]1CCC(=CC(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024972916	0	53	0.0	-70.14	429.01	2.35	-67.79
C[N@H+]1CCC(=CC(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024972916	1	53	0.0	-70.31	428.03	2.40	-67.91
C[C@H](C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024972934	0	51	0.0	-63.73	408.30	1.23	-62.50
CC1C[NH+](CC(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024972950	1	52	0.0	-71.42	426.26	1.58	-69.84
C[N@H+](CCO)CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972963	1	52	0.0	-65.59	418.26	-1.75	-67.34
C[N@@H+](CCO)CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972963	1	52	0.0	-70.51	423.75	-2.18	-72.69
CC(CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024972975	0	57	0.0	-77.17	452.04	2.48	-74.69
CC[N@H+](C)CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972977	0	51	0.0	-70.09	413.61	1.05	-69.04
CC[N@@H+](C)CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972977	1	51	0.0	-64.96	407.91	1.48	-63.48
CC[N@H+](CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024972987	0	55	0.0	-62.24	439.38	2.88	-59.36
CC[N@@H+](CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024972987	1	55	0.0	-68.38	440.97	2.51	-65.87
CC[NH+](CC)CCC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024972993	0	57	0.0	-72.25	448.52	2.13	-70.12
C[NH+](C)CC=CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024973008	0	52	0.0	-70.16	428.48	2.08	-68.08
CC(CCC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024973025	0	57	0.0	-76.14	448.57	2.22	-73.92
CC[N@@H+]1CCC1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024973029	1	52	0.0	-63.11	413.92	1.69	-61.42
CC[N@H+]1CCC1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024973029	1	52	0.0	-64.04	421.77	1.86	-62.18
C=CCC(C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024973050	0	55	0.0	-68.69	438.60	1.97	-66.72
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC1NC(=O)C[NH+]1CC2CC2C1	REAL300024973058	0	53	0.0	-71.25	430.26	2.37	-68.88
CCCC(C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024973063	0	57	0.0	-70.37	446.83	2.28	-68.09
C[NH+](C)C(C)(C)C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024973065	0	54	0.0	-73.24	422.70	1.60	-71.64
C[N@@H+]1CCCCC1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024973075	0	55	0.0	-63.92	433.01	2.45	-61.47
C[N@H+]1CCCCC1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024973075	1	55	0.0	-69.10	436.98	2.09	-67.01
C[NH+](C)C1(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024973111	0	52	0.0	-63.64	415.00	1.87	-61.77
O=C(CC[NH+]1CCCC1)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024973112	0	55	0.0	-66.65	436.87	2.44	-64.21
C[N@@H+]1CC2CC1(C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024973122	0	53	0.0	-63.24	422.37	1.97	-61.27
C[N@H+]1CC2CC1(C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024973122	1	53	0.0	-63.45	420.94	1.93	-61.52
CC(C[NH+](C)C)C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024973157	0	54	0.0	-66.68	428.65	2.10	-64.58
CC(C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024973177	1	55	0.0	-68.68	443.64	2.16	-66.52
CC1CC[N@@H+]1CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024973178	1	52	0.0	-63.36	415.89	1.63	-61.73
CC1CC[N@H+]1CC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024973178	1	52	0.0	-63.95	421.42	1.90	-62.05
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024973209	0	55	0.0	-67.78	439.68	2.55	-65.23
CC(CC[NH+](C)C)C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024973210	0	57	0.0	-67.91	450.22	2.70	-65.21
C[N@@H+]1CCCC1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973379	0	52	0.0	-72.85	414.41	1.00	-71.85
C[N@H+]1CCCC1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973379	1	52	0.0	-71.59	421.28	1.54	-70.05
C[N@@H+]1CCOC(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024973405	1	53	0.0	-87.88	431.97	0.90	-86.98
C[N@H+]1CCOC(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024973405	1	53	0.0	-79.40	420.43	1.11	-78.29
C[N@@H+]1CCC(CC(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024973555	0	55	0.0	-76.61	441.56	2.03	-74.58
C[N@H+]1CCC(CC(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024973555	1	55	0.0	-75.22	435.92	2.41	-72.81
CCC(C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024973558	0	54	0.0	-71.02	420.65	1.81	-69.21
C[NH+](C)CCCCC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973568	0	57	0.0	-75.31	455.51	2.96	-72.35
CC(C)C(C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024973571	0	57	0.0	-71.65	433.75	2.26	-69.39
CCC[N@H+](C)CCC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973572	0	57	0.0	-75.20	451.74	2.78	-72.42
CCC[N@@H+](C)CCC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973572	1	57	0.0	-75.25	451.74	2.78	-72.47
CCC[N@H+](C)CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973573	0	54	0.0	-73.12	429.34	2.24	-70.88
CCC[N@@H+](C)CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973573	1	54	0.0	-73.12	429.34	2.24	-70.88
C[NH+](C)CC1(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024973612	0	55	0.0	-76.77	446.66	2.25	-74.52
CC[N@H+](C)CCC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973618	0	54	0.0	-74.44	430.21	2.03	-72.41
CC[N@@H+](C)CCC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973618	1	54	0.0	-74.46	430.21	2.03	-72.43
C[NH+]1CCC(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024973640	0	55	0.0	-78.27	434.70	2.47	-75.80
CC(C)[C@H](C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024973655	0	57	0.0	-70.96	442.30	2.28	-68.68
C[NH+](C)C1(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024973677	0	55	0.0	-77.21	424.32	1.98	-75.23
CC1CCC[N@@H+]1CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973701	0	55	0.0	-69.70	428.87	2.21	-67.49
CC1CCC[N@H+]1CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973701	1	55	0.0	-71.20	433.69	1.87	-69.33
CC(C)[C@@H](C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024973712	0	57	0.0	-71.23	439.20	2.03	-69.20
CC1CC[N@H+](CC(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024973720	0	55	0.0	-73.80	441.60	2.13	-71.67
CC1CC[N@@H+](CC(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024973720	1	55	0.0	-72.98	437.07	2.58	-70.40
CC[C@@H](C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024973722	0	54	0.0	-70.87	425.64	1.48	-69.39
CC1=[NH+]C=CN1CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973759	1	50	0.0	-70.80	424.96	2.01	-68.79
CC1=C[NH+]=CN1CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973777	1	50	0.0	-71.35	419.91	3.16	-68.19
C[C@@H]1[C@H](C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024973778	0	55	0.0	-75.33	427.68	2.02	-73.31
C[C@@H]1[C@H](C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024973778	1	55	0.0	-75.43	432.94	2.06	-73.37
C[N@H+](CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024973808	0	55	0.0	-72.39	441.02	2.48	-69.91
C[N@@H+](CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024973808	1	55	0.0	-71.00	436.38	2.81	-68.19
C[NH+]1CCC(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024973814	0	55	0.0	-78.27	434.70	2.47	-75.80
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973827	0	52	0.0	-71.73	410.11	1.36	-70.37
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973827	1	52	0.0	-71.07	420.46	1.50	-69.57
C[N@@H+]1CCCCC1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973870	0	55	0.0	-71.55	437.56	1.98	-69.57
C[N@H+]1CCCCC1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973870	1	55	0.0	-72.21	427.04	1.88	-70.33
CC1C(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024973899	0	55	0.0	-73.30	436.21	1.70	-71.60
CC1C(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024973899	1	55	0.0	-78.03	426.88	1.83	-76.20
C[C@@H](C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024973940	0	51	0.0	-71.13	408.29	1.21	-69.92
O=C(CC[NH+]1CCCC1)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973958	0	55	0.0	-73.87	438.48	2.55	-71.32
C[N@H+](CCO)CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973963	1	52	0.0	-73.98	418.19	-1.75	-75.73
C[N@@H+](CCO)CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024973963	1	52	0.0	-75.26	422.79	-2.08	-77.34
CC1C[NH+](CC(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024974006	1	52	0.0	-73.87	420.26	1.98	-71.89
CC[N@H+](C)CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974038	0	51	0.0	-74.28	412.65	1.16	-73.12
CC[N@@H+](C)CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974038	1	51	0.0	-72.78	407.84	1.49	-71.29
CC(CCC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024974091	0	57	0.0	-77.88	443.76	2.55	-75.33
CC[N@H+](CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024974096	0	55	0.0	-69.53	438.71	2.85	-66.68
CC[N@@H+](CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024974096	1	55	0.0	-70.44	436.19	2.84	-67.60
C[N@@H+]1CC2CC1(C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024974109	0	53	0.0	-79.51	427.04	1.66	-77.85
C[N@H+]1CC2CC1(C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024974109	1	53	0.0	-79.16	426.67	1.65	-77.51
CC(C[NH+](C)C)C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974118	0	54	0.0	-66.62	427.81	2.20	-64.42
C[NH+](C)C1(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024974124	0	52	0.0	-79.46	419.10	1.39	-78.07
C[C@H](C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024974134	0	51	0.0	-72.67	413.70	0.82	-71.85
CC[N@@H+]1CCC1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974137	1	52	0.0	-72.51	418.24	1.32	-71.19
CC[N@H+]1CCC1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974137	1	52	0.0	-72.38	421.76	1.85	-70.53
NC1=CC=[NH+]C=C1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974148	0	48	0.0	-77.59	403.17	-1.03	-78.62
CCCC(C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024974152	0	57	0.0	-71.93	442.17	2.58	-69.35
C[NH+](C)C(C)(C)C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974155	0	54	0.0	-78.54	417.60	1.98	-76.56
CC(CC[NH+](C)C)C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974164	0	57	0.0	-73.60	450.19	2.71	-70.89
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC1CNC(=O)C[NH+]1CC2CC2C1	REAL300024974223	0	53	0.0	-73.50	425.44	2.70	-70.80
C[N@@H+]1CCCCC1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974231	0	55	0.0	-71.55	437.56	1.98	-69.57
C[N@H+]1CCCCC1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974231	1	55	0.0	-72.21	427.04	1.88	-70.33
C[N@@H+]1CCC(=CC(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024974256	0	53	0.0	-75.90	428.98	2.36	-73.54
C[N@H+]1CCC(=CC(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024974256	1	53	0.0	-75.59	428.99	2.36	-73.23
[N-]=[N+]=NCC(=O)NCC1CCCC1NC(=O)CSC1=NC(=O)NN1	REAL300024974263	0	42	0.0	-24.13	367.11	-3.57	-27.70
CCC1C[NH+](CC(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024974279	1	55	0.0	-75.79	447.63	2.34	-73.45
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974284	0	52	0.0	-69.42	415.81	1.77	-67.65
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974284	1	52	0.0	-74.34	415.52	0.95	-73.39
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024974324	0	55	0.0	-76.29	444.72	2.21	-74.08
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC1CNC(=O)C[NH+]1CCCCC1	REAL300024974365	0	55	0.0	-72.94	431.84	2.69	-70.25
C[N@@H+]1CCCC(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024974366	0	55	0.0	-75.15	440.16	2.00	-73.15
C[N@H+]1CCCC(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024974366	1	55	0.0	-65.54	428.48	2.65	-62.89
CN1C=C[N+](CC(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024974367	0	50	0.0	-70.07	421.35	4.33	-65.74
C[N@H+](CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024974377	0	52	0.0	-69.94	419.38	2.22	-67.72
C[N@@H+](CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024974377	1	52	0.0	-70.14	419.38	2.22	-67.92
CC(CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024974385	0	57	0.0	-74.58	447.33	2.82	-71.76
C[NH+]1CC(CC(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024974434	0	52	0.0	-73.11	421.59	1.65	-71.46
C[NH+](C)CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974441	0	48	0.0	-73.25	390.15	0.82	-72.43
C[C@@H](C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024974449	0	51	0.0	-71.13	408.29	1.21	-69.92
CC(C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024974463	1	55	0.0	-71.59	444.31	2.05	-69.54
CC1CC[N@@H+]1CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974464	1	52	0.0	-70.81	415.92	1.64	-69.17
CC1CC[N@H+]1CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974464	1	52	0.0	-71.79	421.42	1.90	-69.89
C[NH+](C)CC=CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974466	0	52	0.0	-76.73	426.11	2.03	-74.70
CC1(C)C[NH+](CC(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024974470	1	55	0.0	-74.92	445.39	2.06	-72.86
CC[NH+](CC)CC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974483	0	54	0.0	-71.33	421.73	1.90	-69.43
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC1CNC(=O)C[NH+]1CCC1	REAL300024974488	1	49	0.0	-73.40	400.28	1.24	-72.16
CC[NH+](CC)CCC(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974506	0	57	0.0	-74.04	443.74	2.46	-71.58
CC(C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024974534	1	52	0.0	-72.78	425.56	1.33	-71.45
C[NH+](C)CC(C)(C)C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974538	0	57	0.0	-69.66	439.28	2.67	-66.99
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974558	0	55	0.0	-70.20	422.78	2.26	-67.94
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024974558	1	55	0.0	-70.32	432.09	2.41	-67.91
C=CCC(C(=O)NCC1CCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024974577	0	55	0.0	-70.88	433.86	2.33	-68.55
NC(=[NH2+])SCC(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024974600	0	46	0.0	-66.44	398.06	-2.23	-68.67
CCC1C[NH+](CC(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024974655	1	55	0.0	-71.35	448.33	2.30	-69.05
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024974659	0	52	0.0	-67.13	421.60	1.42	-65.71
C[N@H+]1CCC[C@H]1C(=O)NC1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024974659	1	52	0.0	-71.91	414.53	1.01	-70.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC1NC(=O)C[NH+]1CCCCC1	REAL300024974666	0	55	0.0	-70.75	436.64	2.36	-68.39
CC1C(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024974670	0	55	0.0	-71.01	436.65	1.93	-69.08
CC1C(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024974670	1	55	0.0	-65.38	435.97	2.40	-62.98
C[N@@H+]1CCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024974876	0	46	0.0	-71.59	382.82	-4.23	-75.82
C[N@H+]1CCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024974876	1	46	0.0	-71.77	382.84	-4.21	-75.98
C[N@@H+]1CCOC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024974900	1	47	0.0	-75.93	393.09	-4.45	-80.38
C[N@H+]1CCOC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024974900	1	47	0.0	-82.91	400.20	-4.30	-87.21
CC(C)[N@@H+]1CCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975065	0	52	0.0	-69.98	415.60	-2.50	-72.48
CC(C)[N@H+]1CCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975065	1	52	0.0	-67.91	421.61	-2.65	-70.56
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024975079	0	53	0.0	-74.55	430.23	-2.08	-76.63
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024975079	1	53	0.0	-73.28	430.32	-2.01	-75.29
CC(C)C1=[NH+]C=CN1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975095	1	50	0.0	-68.16	428.46	-2.04	-70.20
CC1=[NH+]C=CN1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975115	1	44	0.0	-69.55	392.24	-3.16	-72.71
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1C[NH+]2CCC1CC2	REAL300024975146	0	50	0.0	-77.57	404.18	-2.96	-80.53
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CCCC2CCC[N@@H+]21	REAL300024975179	0	53	0.0	-65.91	427.23	-1.94	-67.85
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CCCC2CCC[N@H+]21	REAL300024975179	1	53	0.0	-66.00	427.32	-1.92	-67.92
C[C@@H]1[C@H](C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024975188	0	49	0.0	-74.00	400.39	-3.55	-77.55
C[C@@H]1[C@H](C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024975188	1	49	0.0	-74.90	405.64	-3.53	-78.43
CC[C@@H]1[C@@H](C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024975192	0	52	0.0	-73.93	419.76	-3.09	-77.02
CC[C@@H]1[C@@H](C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024975192	1	52	0.0	-73.41	424.99	-2.75	-76.16
CC[N@@H+]1CCOC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024975201	1	50	0.0	-75.04	410.85	-3.82	-78.86
CC[N@H+]1CCOC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024975201	1	50	0.0	-74.99	410.85	-3.83	-78.82
CC[NH+](CC)CC(F)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975237	0	51	0.0	-73.67	424.73	-2.87	-76.54
CC1CCC(C)[NH+]1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975288	0	52	0.0	-68.54	419.84	-2.89	-71.43
O=C(CCC[NH+]1CCCC1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975292	0	52	0.0	-73.80	432.64	-2.23	-76.03
C#CC[NH+]1CCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024975295	0	51	0.0	-77.84	432.58	-1.90	-79.74
O=C(CC[NH+]1CCCCC1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975296	0	52	0.0	-73.81	426.36	-2.37	-76.18
CC[N@@H+]1CCCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975300	0	52	0.0	-68.83	413.15	-2.68	-71.51
CC[N@H+]1CCCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975300	1	52	0.0	-68.82	413.16	-2.68	-71.50
C[NH+](C)C1(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024975312	0	49	0.0	-75.86	393.65	-3.23	-79.09
CC(C)[C@@H](C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024975322	0	51	0.0	-70.73	412.10	-2.54	-73.27
C[N@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024975353	0	49	0.0	-70.53	409.03	-2.79	-73.32
C[N@@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024975353	1	49	0.0	-70.85	408.93	-2.79	-73.64
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975437	1	48	0.0	-70.13	409.42	-3.01	-73.14
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975437	1	48	0.0	-70.45	415.19	-2.48	-72.93
C[N@@H+]1CCCC1CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975442	0	52	0.0	-75.66	430.20	-2.27	-77.93
C[N@H+]1CCCC1CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975442	1	52	0.0	-72.67	424.76	-2.74	-75.41
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CCC[NH+](CCC1)C2	REAL300024975449	0	53	0.0	-73.37	420.20	-2.56	-75.93
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CCC2CCCC[N@@H+]21	REAL300024975452	0	53	0.0	-68.96	423.69	-2.30	-71.26
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CCC2CCCC[N@H+]21	REAL300024975452	1	53	0.0	-67.42	430.66	-1.83	-69.25
C[NH+]1CCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024975472	0	49	0.0	-76.80	407.41	-3.10	-79.90
C[NH+](C)CC1=CC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024975497	1	48	0.0	-81.13	421.93	-3.74	-84.87
C[N@@H+]1CCCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975518	0	49	0.0	-69.34	404.78	-3.18	-72.52
C[N@H+]1CCCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975518	1	49	0.0	-70.19	395.46	-3.34	-73.53
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024975604	0	44	0.0	-74.00	392.98	-1.29	-75.29
CC1=[NH+]C=CN1CCCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975609	1	50	0.0	-70.95	433.78	-1.86	-72.81
O=C(CC[NH+]1CCOCC1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975613	1	50	0.0	-77.01	418.08	-4.76	-81.77
CC1=C[NH+]=CN1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975629	1	44	0.0	-72.31	391.52	-2.47	-74.78
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CCC[NH+]1CCC2	REAL300024975658	0	50	0.0	-72.86	407.47	-2.77	-75.63
C[N@@H+]1CCC(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024975675	0	49	0.0	-75.65	409.35	-3.18	-78.83
C[N@H+]1CCC(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024975675	1	49	0.0	-75.53	409.13	-3.18	-78.71
CN(C)C1=CC=[NH+]C=C1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975685	0	48	0.0	-79.21	413.53	-3.96	-83.17
CCC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024975689	0	48	0.0	-69.69	393.46	-3.77	-73.46
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024975725	1	44	0.0	-77.93	393.25	-1.26	-79.19
C[NH+](C)CCCCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975763	0	51	0.0	-75.75	428.17	-2.64	-78.39
CC(C)C(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024975779	0	51	0.0	-70.96	412.83	-2.55	-73.51
CCC[N@H+](C)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975780	0	51	0.0	-75.05	424.41	-2.81	-77.86
CCC[N@@H+](C)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975780	1	51	0.0	-75.03	424.41	-2.81	-77.84
CCC[N@H+](C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975785	0	48	0.0	-72.63	402.04	-3.36	-75.99
CCC[N@@H+](C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975785	1	48	0.0	-72.67	402.04	-3.36	-76.03
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CC[N@H+](C1)CCC2	REAL300024975803	0	50	0.0	-77.64	404.74	-3.55	-81.19
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300024975803	1	50	0.0	-73.89	404.35	-3.55	-77.44
C[N@@H+]1CCC[C@@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975832	0	46	0.0	-71.58	382.76	-4.23	-75.81
C[N@H+]1CCC[C@@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975832	1	46	0.0	-69.52	387.77	-3.70	-73.22
CC[NH+](CC)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024975882	0	48	0.0	-70.85	394.40	-3.69	-74.54
CC1CC[NH+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024975949	0	52	0.0	-73.03	425.77	-2.28	-75.31
C[NH+](C)CC1(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024975979	0	49	0.0	-73.57	415.42	-3.07	-76.64
C[NH+]1CCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024976048	0	49	0.0	-76.80	407.41	-3.10	-79.90
CC(C)[C@H](C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024976065	0	51	0.0	-70.90	412.43	-2.69	-73.59
CCC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024976095	0	54	0.0	-67.00	425.41	-2.75	-69.75
CC[N@H+](C)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976139	0	48	0.0	-74.25	402.91	-3.55	-77.80
CC[N@@H+](C)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976139	1	48	0.0	-74.22	402.91	-3.56	-77.78
CC1CCC[N@@H+]1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976177	0	49	0.0	-69.24	401.52	-3.40	-72.64
CC1CCC[N@H+]1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976177	1	49	0.0	-69.95	408.15	-2.98	-72.93
CC1CC[N@H+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976179	0	49	0.0	-71.95	408.88	-3.03	-74.98
CC1CC[N@@H+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976179	1	49	0.0	-71.90	408.84	-3.04	-74.94
CC1(C)CC[N@H+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976183	0	52	0.0	-72.11	428.04	-2.53	-74.64
CC1(C)CC[N@@H+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976183	1	52	0.0	-72.10	428.38	-2.52	-74.62
C[N@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024976184	0	54	0.0	-72.62	430.64	-2.36	-74.98
C[N@@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024976184	1	54	0.0	-72.45	432.59	-2.22	-74.67
CC[C@@H](C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024976192	0	48	0.0	-69.63	393.05	-3.75	-73.38
C[NH+](C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976323	0	42	0.0	-73.02	362.81	-4.77	-77.79
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[NH+]1CCCCCC1	REAL300024976327	0	52	0.0	-71.93	413.89	-2.71	-74.64
CN1C=C[N+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024976330	0	44	0.0	-70.63	394.05	-1.26	-71.89
C[N@@H+]1CCCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976336	0	49	0.0	-66.96	401.14	-2.94	-69.90
C[N@H+]1CCCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976336	1	49	0.0	-66.99	401.12	-2.95	-69.94
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300024976341	0	50	0.0	-67.63	420.30	-2.26	-69.89
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CCC[N@H+]1C1CC1	REAL300024976341	1	50	0.0	-70.10	413.28	-2.91	-73.01
CC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024976360	1	46	0.0	-70.85	392.81	-3.84	-74.69
CCC(CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024976364	0	54	0.0	-68.77	438.04	-2.15	-70.92
C[NH+](C)CC(C)(C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976370	0	51	0.0	-71.00	411.95	-2.92	-73.92
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024976383	0	51	0.0	-71.08	427.65	-2.37	-73.45
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024976383	1	51	0.0	-71.86	420.86	-1.44	-73.30
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[NH+]1CCC(O)CC1	REAL300024976391	1	50	0.0	-77.01	415.62	-6.25	-83.26
C[N@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024976392	0	46	0.0	-70.28	392.21	-3.36	-73.64
C[N@@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024976392	1	46	0.0	-70.27	392.21	-3.36	-73.63
C[NH+]1CC(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976409	0	46	0.0	-73.85	394.26	-3.95	-77.80
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC[N@@H+]1C1CCCC1	REAL300024976413	0	53	0.0	-70.86	428.80	-2.27	-73.13
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC[N@H+]1C1CCCC1	REAL300024976413	1	53	0.0	-72.17	433.68	-1.92	-74.09
CC(C)(C)[N@@H+]1CCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976421	0	52	0.0	-69.22	424.82	-3.02	-72.24
CC(C)(C)[N@H+]1CCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976421	1	52	0.0	-69.02	424.36	-3.03	-72.05
C[C@@H](C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024976432	0	45	0.0	-71.02	380.71	-4.36	-75.38
[N-]=[N+]=NCC(=O)NCC(O)CNC(=O)CSC1=NC(=O)NN1	REAL300024976439	0	36	0.0	-24.87	339.78	-9.17	-34.04
C[NH+](C)CC1=CC=C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024976468	0	50	0.0	-82.66	429.66	-3.60	-86.26
[NH2+]=C1SC=CN1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976506	0	42	0.0	-69.17	389.88	-4.59	-73.76
C[N@H+](CCO)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976514	0	49	0.0	-74.10	413.26	-6.78	-80.88
C[N@@H+](CCO)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976514	1	49	0.0	-73.80	413.24	-6.79	-80.59
C[C@@H](C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024976515	0	45	0.0	-71.02	380.71	-4.36	-75.38
C[N@@H+]1CCCC[C@@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976519	0	49	0.0	-70.19	395.46	-3.34	-73.53
C[N@H+]1CCCC[C@@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976519	1	49	0.0	-69.26	404.75	-3.18	-72.44
CC1CN2CC[N@@H+]1CC2C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976527	0	52	0.0	-76.89	415.58	-5.80	-82.69
CC1CN2CC[N@H+]1CC2C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976527	1	52	0.0	-76.74	415.62	-5.80	-82.54
C[N@@H+]1CCC(=CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976600	0	47	0.0	-76.61	400.70	-3.22	-79.83
C[N@H+]1CCC(=CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976600	1	47	0.0	-76.40	401.66	-3.22	-79.62
C[NH+](C)CCOCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976629	0	49	0.0	-73.30	418.68	-3.70	-77.00
C=CCC(C)(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024976648	0	52	0.0	-67.28	418.19	-2.70	-69.98
C[S+](C)CCC(O)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976652	0	48	0.0	-77.44	427.66	-5.10	-82.54
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976677	0	50	0.0	-76.57	410.68	-6.34	-82.91
CC1CN(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976699	0	46	0.0	-72.77	394.09	-3.68	-76.45
CC1C[NH+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976699	1	46	0.0	-72.77	394.09	-3.68	-76.45
CN(CCO)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976717	0	46	0.0	-73.21	390.89	-7.34	-80.55
C[N@H+](CCO)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976717	1	46	0.0	-72.85	390.67	-7.34	-80.19
C[N@@H+](CCO)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976717	1	46	0.0	-72.85	390.67	-7.34	-80.19
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024976734	0	52	0.0	-80.95	409.60	-4.97	-85.92
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1C[N@H+]2CCN1CCC2	REAL300024976734	1	52	0.0	-80.95	409.60	-4.97	-85.92
CC[N@@H+]1CCCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976739	0	52	0.0	-66.49	418.79	-2.30	-68.79
CC[N@H+]1CCCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976739	1	52	0.0	-66.49	418.79	-2.30	-68.79
CC(CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024976741	0	51	0.0	-77.30	419.95	-2.79	-80.09
CC[N@H+](C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976748	0	45	0.0	-72.25	380.54	-4.11	-76.36
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CCC[N@@H+]1CCCC2	REAL300024976766	0	53	0.0	-67.60	418.33	-2.22	-69.82
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CCC[N@H+]1CCCC2	REAL300024976766	1	53	0.0	-67.60	418.33	-2.22	-69.82
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024976771	0	51	0.0	-66.85	410.66	-2.44	-69.29
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CCC[N@H+]1CC=CC2	REAL300024976771	1	51	0.0	-66.85	410.66	-2.44	-69.29
CC[N@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024976789	0	49	0.0	-69.77	409.19	-2.75	-72.52
CC[NH+](CC)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976800	0	51	0.0	-73.68	416.41	-3.13	-76.81
CC1(O)CC[N@H+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024976839	0	50	0.0	-73.02	419.35	-6.35	-79.37
C[NH+](C)CC=CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976846	0	46	0.0	-77.20	398.77	-3.55	-80.75
CC(OCC[NH+](C)C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976863	0	52	0.0	-73.79	438.47	-3.01	-76.80
C[NH+](C)CCOCCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976870	0	52	0.0	-73.59	439.63	-3.97	-77.56
COCCN(C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976871	0	49	0.0	-72.70	412.93	-4.94	-77.64
COCC[N@H+](C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976871	1	49	0.0	-73.39	413.15	-4.94	-78.33
COCC[N@@H+](C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976871	1	49	0.0	-73.39	413.15	-4.94	-78.33
C[NH+](C)C1(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024976894	0	52	0.0	-76.31	413.93	-2.56	-78.87
CC(CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024976897	0	51	0.0	-73.03	420.16	-3.02	-76.05
CCN1CCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976903	0	46	0.0	-71.73	394.48	-3.79	-75.52
CC[N@@H+]1CCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976903	1	46	0.0	-71.56	394.44	-3.74	-75.30
CC[N@H+]1CCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976903	1	46	0.0	-71.56	394.44	-3.74	-75.30
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[N@H+]1CCCC1CO	REAL300024976920	0	50	0.0	-71.62	415.99	-6.16	-77.78
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024976940	0	53	0.0	-73.28	430.32	-2.01	-75.29
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024976940	1	53	0.0	-73.28	430.32	-2.01	-75.29
C[NH+]1CCC(C)(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024976946	0	52	0.0	-71.72	420.07	-2.69	-74.41
C[NH+](C)CC1=CNC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024976951	0	50	0.0	-77.74	429.19	-3.50	-81.24
C=CCC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024976969	0	49	0.0	-69.20	406.48	-3.29	-72.49
C[N@@H+]1CC(C)(C)CC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976978	0	52	0.0	-71.11	423.22	-3.17	-74.28
C[NH+](C)CCCCCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976980	0	54	0.0	-75.16	449.67	-1.84	-77.00
CC1C[N@@H+]2CCN1C(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024977008	0	52	0.0	-78.52	415.80	-5.71	-84.23
CC1C[N@H+]2CCN1C(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024977008	1	52	0.0	-78.52	415.80	-5.71	-84.23
CCCC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024977009	0	51	0.0	-70.75	414.72	-2.99	-73.74
C[NH+](C)C(C)(C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977012	0	48	0.0	-74.95	390.27	-3.63	-78.58
C[N@@H+]1CCCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977043	0	49	0.0	-70.19	395.46	-3.34	-73.53
C[N@H+]1CC=C(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024977073	0	50	0.0	-70.87	421.94	-2.44	-73.31
C[N@@H+]1CC=C(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024977073	1	50	0.0	-70.87	421.94	-2.44	-73.31
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)CC1([NH+]2CCCC2)CC1	REAL300024977081	0	53	0.0	-70.38	426.80	-2.11	-72.49
CN(C)CC1=CC=C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024977112	0	49	0.0	-79.67	426.30	-3.05	-82.72
C[NH+](C)CC1=CC=C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024977112	1	49	0.0	-79.67	426.30	-3.05	-82.72
O=C(C=CC[NH+]1CCCC1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977125	0	50	0.0	-75.97	423.37	-2.49	-78.46
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC[NH+](C2CC2)CC1	REAL300024977142	0	53	0.0	-74.47	432.26	-1.90	-76.37
C[NH+](C)C1(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024977158	0	46	0.0	-75.51	386.58	-3.76	-79.27
O=C(CC[NH+]1CCCC1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977160	0	49	0.0	-73.77	411.14	-3.04	-76.81
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1C[NH+]2CCN1CC2	REAL300024977191	0	49	0.0	-78.84	399.13	-6.30	-85.14
C[N@@H+]1CC2CC1(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024977198	0	47	0.0	-74.29	395.06	-3.61	-77.90
C[N@H+]1CC2CC1(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024977198	1	47	0.0	-74.72	393.00	-3.41	-78.13
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[N@@H+]1CC2CCC1C2	REAL300024977208	0	50	0.0	-70.56	409.53	-2.66	-73.22
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[N@H+]1CC2CCC1C2	REAL300024977208	1	50	0.0	-69.90	406.74	-2.88	-72.78
O=C(C=C1C[NH+]2CCC1CC2)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977243	0	51	0.0	-69.72	418.95	-2.38	-72.10
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024977253	1	48	0.0	-70.82	402.16	-2.80	-73.62
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[N@H+]1CC2C=CC1C2	REAL300024977253	1	48	0.0	-70.88	402.15	-2.80	-73.68
CC(C[NH+](C)C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977287	0	48	0.0	-68.37	401.01	-3.40	-71.77
C[N@@H+]1CCCCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977342	0	52	0.0	-66.53	414.56	-2.71	-69.24
C[N@H+]1CCCCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977342	1	52	0.0	-75.11	422.06	-2.58	-77.69
CC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024977355	1	49	0.0	-70.91	413.15	-3.10	-74.01
CC1CC[N@@H+]1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977357	1	46	0.0	-70.50	388.61	-3.95	-74.45
CC1CC[N@H+]1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977357	1	46	0.0	-71.44	394.14	-3.69	-75.13
C[NH+](C)CC(O)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977360	0	49	0.0	-78.01	415.51	-5.77	-83.78
CC1C[N@H+](C)CC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024977383	1	50	0.0	-82.21	414.68	-3.59	-85.80
CC1C[N@@H+](C)CC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024977383	1	50	0.0	-83.27	421.41	-3.58	-86.85
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024977443	0	49	0.0	-73.76	412.55	-3.05	-76.81
CC(CC[NH+](C)C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977449	0	51	0.0	-74.48	422.85	-2.87	-77.35
C[NH+]1CCN(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024977473	1	51	0.0	-73.75	422.21	-5.25	-79.00
C[N@@H+]1CCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977646	0	46	0.0	-71.59	382.82	-4.23	-75.82
C[N@H+]1CCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977646	1	46	0.0	-71.77	382.84	-4.21	-75.98
C[N@@H+]1CCOC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024977672	1	47	0.0	-75.93	393.09	-4.45	-80.38
C[N@H+]1CCOC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024977672	1	47	0.0	-82.91	400.20	-4.30	-87.21
CC1=[NH+]C=CN1CCCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977825	1	50	0.0	-70.95	433.78	-1.86	-72.81
O=C(CC[NH+]1CCOCC1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977829	1	50	0.0	-77.01	418.08	-4.76	-81.77
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CCC[NH+]1CCC2	REAL300024977844	0	50	0.0	-72.86	407.47	-2.77	-75.63
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024977852	1	44	0.0	-77.93	393.25	-1.26	-79.19
C[N@@H+]1CCC(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024977890	0	49	0.0	-75.65	409.35	-3.18	-78.83
C[N@H+]1CCC(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024977890	1	49	0.0	-75.53	409.13	-3.18	-78.71
CN(C)C1=CC=[NH+]C=C1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977900	0	48	0.0	-79.21	413.53	-3.96	-83.17
CCC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024977904	0	48	0.0	-69.69	393.46	-3.77	-73.46
C[NH+](C)CCCCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977950	0	51	0.0	-75.75	428.17	-2.64	-78.39
CC(C)C(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024977968	0	51	0.0	-70.96	412.83	-2.55	-73.51
CCC[N@H+](C)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977969	0	51	0.0	-75.05	424.41	-2.81	-77.86
CCC[N@@H+](C)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977969	1	51	0.0	-75.03	424.41	-2.81	-77.84
CCC[N@H+](C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977974	0	48	0.0	-72.63	402.04	-3.36	-75.99
CCC[N@@H+](C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024977974	1	48	0.0	-72.67	402.04	-3.36	-76.03
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CC[N@H+](C1)CCC2	REAL300024977992	0	50	0.0	-77.64	404.74	-3.55	-81.19
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300024977992	1	50	0.0	-73.89	404.35	-3.55	-77.44
CC1CC[NH+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024978039	0	52	0.0	-73.03	425.77	-2.28	-75.31
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024978094	0	53	0.0	-74.55	430.23	-2.08	-76.63
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024978094	1	53	0.0	-73.28	430.32	-2.01	-75.29
C[NH+](C)CC1(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024978103	0	49	0.0	-73.57	415.42	-3.07	-76.64
CC[N@H+](C)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978125	0	48	0.0	-74.25	402.91	-3.55	-77.80
CC[N@@H+](C)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978125	1	48	0.0	-74.22	402.91	-3.56	-77.78
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1C[NH+]2CCC1CC2	REAL300024978144	0	50	0.0	-77.57	404.18	-2.96	-80.53
C[NH+]1CCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024978201	0	49	0.0	-76.80	407.41	-3.10	-79.90
CC(C)[C@H](C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024978218	0	51	0.0	-70.90	412.43	-2.69	-73.59
CC[NH+](CC)CC(F)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978289	0	51	0.0	-73.67	424.73	-2.87	-76.54
C[NH+](C)C1(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024978316	0	49	0.0	-75.86	393.65	-3.23	-79.09
CCC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024978346	0	54	0.0	-67.00	425.41	-2.75	-69.75
CC1CCC[N@@H+]1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978362	0	49	0.0	-69.24	401.52	-3.40	-72.64
CC1CCC[N@H+]1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978362	1	49	0.0	-69.95	408.15	-2.98	-72.93
CC(C)[N@@H+]1CCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978418	0	52	0.0	-69.98	415.60	-2.50	-72.48
CC(C)[N@H+]1CCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978418	1	52	0.0	-67.91	421.61	-2.65	-70.56
CC(C)[C@@H](C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024978432	0	51	0.0	-70.73	412.10	-2.54	-73.27
CC1CC[N@H+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024978449	0	49	0.0	-71.95	408.88	-3.03	-74.98
CC1CC[N@@H+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024978449	1	49	0.0	-71.90	408.84	-3.04	-74.94
CC1(C)CC[N@H+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024978453	0	52	0.0	-72.11	428.04	-2.53	-74.64
CC1(C)CC[N@@H+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024978453	1	52	0.0	-72.10	428.38	-2.52	-74.62
C[N@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024978454	0	54	0.0	-72.62	430.64	-2.36	-74.98
C[N@@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024978454	1	54	0.0	-72.45	432.59	-2.22	-74.67
CC[C@@H](C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024978462	0	48	0.0	-69.63	393.05	-3.75	-73.38
CC1=[NH+]C=CN1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978609	1	44	0.0	-69.55	392.24	-3.16	-72.71
C[NH+](C)CC1=CC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024978634	1	48	0.0	-81.13	421.93	-3.74	-84.87
CC(C)C1=[NH+]C=CN1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978658	1	50	0.0	-68.16	428.46	-2.04	-70.20
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CCCC2CCC[N@@H+]21	REAL300024978681	0	53	0.0	-65.91	427.23	-1.94	-67.85
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CCCC2CCC[N@H+]21	REAL300024978681	1	53	0.0	-66.00	427.32	-1.92	-67.92
CC[N@@H+]1CCOC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024978693	1	50	0.0	-75.04	410.85	-3.82	-78.86
CC[N@H+]1CCOC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024978693	1	50	0.0	-74.99	410.85	-3.83	-78.82
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024978730	0	44	0.0	-74.00	392.98	-1.29	-75.29
CC1=C[NH+]=CN1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978733	1	44	0.0	-72.31	391.52	-2.47	-74.78
C[C@@H]1[C@H](C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024978741	0	49	0.0	-74.00	400.39	-3.55	-77.55
C[C@@H]1[C@H](C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024978741	1	49	0.0	-74.90	405.64	-3.53	-78.43
CC[C@@H]1[C@@H](C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024978745	0	52	0.0	-73.93	419.76	-3.09	-77.02
CC[C@@H]1[C@@H](C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024978745	1	52	0.0	-73.41	424.99	-2.75	-76.16
CC1CCC(C)[NH+]1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978755	0	52	0.0	-68.54	419.84	-2.89	-71.43
O=C(CCC[NH+]1CCCC1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978759	0	52	0.0	-73.80	432.64	-2.23	-76.03
C#CC[NH+]1CCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024978763	0	51	0.0	-77.84	432.58	-1.90	-79.74
O=C(CC[NH+]1CCCCC1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978764	0	52	0.0	-73.81	426.36	-2.37	-76.18
CC[N@@H+]1CCCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978769	0	52	0.0	-68.83	413.15	-2.68	-71.51
CC[N@H+]1CCCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978769	1	52	0.0	-68.82	413.16	-2.68	-71.50
C[N@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024978897	0	49	0.0	-70.53	409.03	-2.79	-73.32
C[N@@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024978897	1	49	0.0	-70.85	408.93	-2.79	-73.64
C[NH+]1CCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024978931	0	49	0.0	-76.80	407.41	-3.10	-79.90
C[N@@H+]1CCC[C@@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978964	0	46	0.0	-71.58	382.76	-4.23	-75.81
C[N@H+]1CCC[C@@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978964	1	46	0.0	-69.52	387.77	-3.70	-73.22
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978983	1	48	0.0	-70.13	409.42	-3.01	-73.14
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978983	1	48	0.0	-70.45	415.19	-2.48	-72.93
C[N@@H+]1CCCC1CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978988	0	52	0.0	-75.66	430.20	-2.27	-77.93
C[N@H+]1CCCC1CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024978988	1	52	0.0	-72.67	424.76	-2.74	-75.41
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CCC[NH+](CCC1)C2	REAL300024978995	0	53	0.0	-73.37	420.20	-2.56	-75.93
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CCC2CCCC[N@@H+]21	REAL300024978998	0	53	0.0	-68.96	423.69	-2.30	-71.26
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CCC2CCCC[N@H+]21	REAL300024978998	1	53	0.0	-67.42	430.66	-1.83	-69.25
C[N@@H+]1CCCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979081	0	49	0.0	-69.34	404.78	-3.18	-72.52
C[N@H+]1CCCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979081	1	49	0.0	-70.19	395.46	-3.34	-73.53
CC1C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024979144	0	49	0.0	-71.69	408.80	-3.22	-74.91
CC1C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024979144	1	49	0.0	-71.73	404.01	-3.57	-75.30
CC(C)(C)[N@@H+]1CCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979215	0	52	0.0	-69.22	424.82	-3.02	-72.24
CC(C)(C)[N@H+]1CCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979215	1	52	0.0	-69.02	424.36	-3.03	-72.05
C[C@@H](C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024979233	0	45	0.0	-71.02	380.71	-4.36	-75.38
C=CCC(C)(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024979247	0	52	0.0	-67.28	418.19	-2.70	-69.98
O=C(CC[NH+]1CCCC1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979267	0	49	0.0	-73.77	411.14	-3.04	-76.81
C[N@H+](CCO)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979277	1	46	0.0	-73.21	390.89	-7.34	-80.55
C[N@@H+](CCO)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979277	1	46	0.0	-72.85	390.67	-7.34	-80.19
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024979302	0	52	0.0	-78.10	410.98	-5.46	-83.56
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1C[N@H+]2CCN1CCC2	REAL300024979302	1	52	0.0	-80.95	409.60	-4.97	-85.92
C[N@H+]1CC=C(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024979343	0	50	0.0	-72.56	421.96	-2.44	-75.00
C[N@@H+]1CC=C(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024979343	1	50	0.0	-70.87	421.94	-2.44	-73.31
C[S+](C)CCC(O)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979356	0	48	0.0	-77.44	427.66	-5.10	-82.54
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979374	0	50	0.0	-76.42	412.10	-6.63	-83.05
C[N@H+]1CC(O)CC1(C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979374	1	50	0.0	-76.57	410.68	-6.34	-82.91
CC1C[NH+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024979408	1	46	0.0	-72.77	394.09	-3.68	-76.45
CC[N@@H+]1CCCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024979414	0	52	0.0	-71.81	425.05	-2.48	-74.29
CC[N@H+]1CCCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024979414	1	52	0.0	-66.49	418.79	-2.30	-68.79
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300024979427	0	50	0.0	-67.63	420.30	-2.26	-69.89
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CCC[N@H+]1C1CC1	REAL300024979427	1	50	0.0	-70.10	413.28	-2.91	-73.01
O=C(C=CC[NH+]1CCCC1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979460	0	50	0.0	-75.97	423.37	-2.49	-78.46
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC[NH+](C2CC2)CC1	REAL300024979477	0	53	0.0	-74.47	432.26	-1.90	-76.37
CC[N@H+](C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979514	0	45	0.0	-72.25	380.54	-4.11	-76.36
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)CN1CC2C=CC1C2	REAL300024979555	0	48	0.0	-70.82	402.16	-2.80	-73.62
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024979555	1	48	0.0	-70.88	402.15	-2.80	-73.68
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[N@H+]1CC2C=CC1C2	REAL300024979555	1	48	0.0	-70.88	402.15	-2.80	-73.68
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1C[NH+]2CCN1CC2	REAL300024979616	0	49	0.0	-78.84	399.13	-6.30	-85.14
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CCC[N@@H+]1CCCC2	REAL300024979648	0	53	0.0	-67.60	418.33	-2.22	-69.82
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CCC[N@H+]1CCCC2	REAL300024979648	1	53	0.0	-67.60	418.33	-2.22	-69.82
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024979654	0	51	0.0	-66.85	410.66	-2.44	-69.29
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CCC[N@H+]1CC=CC2	REAL300024979654	1	51	0.0	-66.85	410.66	-2.44	-69.29
CC(OCC[NH+](C)C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979663	0	52	0.0	-73.79	438.47	-3.01	-76.80
C[NH+](C)CCOCCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979671	0	52	0.0	-73.59	439.63	-3.97	-77.56
COCCN(C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979673	0	49	0.0	-72.70	412.93	-4.94	-77.64
COCC[N@H+](C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979673	1	49	0.0	-73.39	413.15	-4.94	-78.33
COCC[N@@H+](C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979673	1	49	0.0	-73.39	413.15	-4.94	-78.33
CC(CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024979677	0	51	0.0	-73.03	420.16	-3.02	-76.05
CC[N@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024979695	0	49	0.0	-69.77	409.19	-2.75	-72.52
CC1C[N@@H+]2CCN1C(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024979707	0	52	0.0	-78.52	415.80	-5.71	-84.23
CC1C[N@H+]2CCN1C(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024979707	1	52	0.0	-78.52	415.80	-5.71	-84.23
C[N@@H+]1CC2CC1(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024979724	0	47	0.0	-74.72	393.00	-3.41	-78.13
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[N@@H+]1CC2CCC1C2	REAL300024979736	0	50	0.0	-69.90	406.74	-2.88	-72.78
CC(C[NH+](C)C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979752	0	48	0.0	-68.37	401.01	-3.40	-71.77
CCN1CCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979791	0	46	0.0	-71.73	394.48	-3.79	-75.52
CC[N@@H+]1CCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979791	1	46	0.0	-71.56	394.44	-3.74	-75.30
CC[N@H+]1CCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979791	1	46	0.0	-71.56	394.44	-3.74	-75.30
CCC(C)(C)[NH2+]C(C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979808	0	54	0.0	-71.09	428.24	-4.13	-75.22
CCCC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024979852	0	51	0.0	-70.75	414.72	-2.99	-73.74
C[NH+](C)C(C)(C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979857	0	48	0.0	-74.95	390.27	-3.63	-78.58
CC(CC[NH+](C)C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979874	0	51	0.0	-74.48	422.85	-2.87	-77.35
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024979923	0	51	0.0	-71.86	420.86	-1.44	-73.30
C[N@@H+]1CC(C)(C)CC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979948	0	52	0.0	-71.11	423.22	-3.17	-74.28
C[NH+](C)CCCCCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979950	0	54	0.0	-75.16	449.67	-1.84	-77.00
CN1CCN(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024979963	0	51	0.0	-73.75	422.21	-5.25	-79.00
C[NH+]1CCN(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024979963	1	51	0.0	-73.75	422.21	-5.25	-79.00
CC1CN(C)CC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024980030	0	50	0.0	-82.21	414.68	-3.59	-85.80
CC1C[N@H+](C)CC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024980030	1	50	0.0	-83.27	421.41	-3.58	-86.85
CC1C[N@@H+](C)CC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024980030	1	50	0.0	-83.27	421.41	-3.58	-86.85
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)CC1([NH+]2CCCC2)CC1	REAL300024980085	0	53	0.0	-70.38	426.80	-2.11	-72.49
C[N@@H+]1CCCCC1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980112	0	49	0.0	-70.19	395.46	-3.34	-73.53
C[N@@H+]1CCC(=CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024980202	0	47	0.0	-76.61	400.70	-3.22	-79.83
C[N@H+]1CCC(=CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024980202	1	47	0.0	-76.40	401.66	-3.22	-79.62
O=C(CNC1=CC=[NH+]C=C1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980207	0	45	0.0	-72.74	398.53	-5.50	-78.24
[N-]=[N+]=NCC(=O)NCC(O)CNC(=O)CSC1=NC(=O)NN1	REAL300024980242	0	36	0.0	-24.87	339.78	-9.17	-34.04
O=C(C=C1C[NH+]2CCC1CC2)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980250	0	51	0.0	-69.72	418.95	-2.38	-72.10
C[NH+](C)C1(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024980277	0	52	0.0	-76.31	413.93	-2.56	-78.87
CCC1C[NH+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024980287	1	49	0.0	-73.50	415.47	-2.91	-76.41
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1([NH+]2CCCC2)CCC1	REAL300024980290	0	53	0.0	-72.26	422.83	-2.06	-74.32
C[N@@H+]1CCC[C@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980300	0	46	0.0	-69.65	388.61	-3.73	-73.38
C[N@H+]1CCC[C@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980300	1	46	0.0	-71.74	382.79	-4.22	-75.96
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024980410	0	49	0.0	-73.76	412.55	-3.05	-76.81
C[NH+](C)CCC1(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024980421	0	52	0.0	-76.66	437.23	-2.26	-78.92
C[N@@H+]1CC=CCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980422	0	50	0.0	-67.04	408.99	-2.78	-69.82
C[N@H+]1CC=CCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980422	1	50	0.0	-67.04	408.99	-2.78	-69.82
C[NH+](C)CCOCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980469	0	49	0.0	-73.30	418.68	-3.70	-77.00
[NH2+]=C1SC=CN1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980505	0	42	0.0	-69.17	389.88	-4.59	-73.76
C[C@@H](OCC[NH+](C)C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980558	0	52	0.0	-71.75	438.47	-3.02	-74.77
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[NH+]1CCCCC1	REAL300024980589	0	49	0.0	-72.20	404.92	-2.88	-75.08
C[N@@H+]1CCCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024980590	0	49	0.0	-66.96	401.14	-2.94	-69.90
C[N@H+]1CCCC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024980590	1	49	0.0	-66.99	401.12	-2.95	-69.94
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[NH+]1CCCCCC1	REAL300024980591	0	52	0.0	-71.93	413.89	-2.71	-74.64
CN1C=C[N+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024980595	0	44	0.0	-70.63	394.05	-1.26	-71.89
C[NH+](C)CC1=CC=C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024980608	1	49	0.0	-79.67	426.30	-3.05	-82.72
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[NH+]1CCC(O)CC1	REAL300024980622	1	50	0.0	-77.01	415.62	-6.25	-83.26
C[N@@H+](CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024980626	1	46	0.0	-70.27	392.21	-3.36	-73.63
O=C(CC[N@H+]1CCC(F)C1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980629	1	49	0.0	-76.40	417.41	-2.96	-79.36
CCOCC(N=[N+]=[N-])C(=O)NCC(O)CNC(=O)CSC1=NC(=O)NN1	REAL300024980645	0	46	0.0	-24.68	416.00	-8.49	-33.17
CC(CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024980650	0	51	0.0	-77.30	419.95	-2.79	-80.09
CN1CCOCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980675	0	50	0.0	-69.56	405.94	-5.09	-74.65
C[N@@H+]1CCOCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980675	1	50	0.0	-78.72	413.42	-4.96	-83.68
C[N@H+]1CCOCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980675	1	50	0.0	-69.56	405.94	-5.09	-74.65
CC1(O)CC[N@@H+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024980756	1	50	0.0	-73.02	419.35	-6.35	-79.37
C[NH+]1CC(CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024980785	0	46	0.0	-73.85	394.26	-3.95	-77.80
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC[N@H+]1C1CCCC1	REAL300024980789	1	53	0.0	-72.17	433.68	-1.92	-74.09
C[NH+](C)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980797	0	42	0.0	-73.02	362.81	-4.77	-77.79
C[N@H+](CCO)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980818	0	49	0.0	-74.10	413.26	-6.78	-80.88
C[N@@H+](CCO)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980818	1	49	0.0	-73.80	413.24	-6.79	-80.59
C[C@@H](C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024980819	0	45	0.0	-71.02	380.71	-4.36	-75.38
C[N@@H+]1CCCCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980836	0	52	0.0	-66.53	414.56	-2.71	-69.24
C[N@H+]1CCCCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980836	1	52	0.0	-75.11	422.06	-2.58	-77.69
CC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024980852	1	49	0.0	-70.91	413.15	-3.10	-74.01
CC1CCN1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980854	0	46	0.0	-71.44	394.14	-3.69	-75.13
CC1CC[N@@H+]1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980854	1	46	0.0	-70.50	388.61	-3.95	-74.45
CC1CC[N@H+]1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980854	1	46	0.0	-71.44	394.14	-3.69	-75.13
C[NH+](C)CC=CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980865	0	46	0.0	-77.20	398.77	-3.55	-80.75
CC1=C(C)[NH+]=C(CCC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024980886	1	50	0.0	-68.62	433.05	-3.48	-72.10
C[NH+](C)CCSCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980902	0	49	0.0	-78.73	429.71	-2.84	-81.57
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[N@@H+]1CCCC1CO	REAL300024980923	1	50	0.0	-71.62	415.99	-6.16	-77.78
CC[NH+](CC)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980927	0	48	0.0	-70.85	394.40	-3.69	-74.54
CC[NH+](CC)CCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980971	0	51	0.0	-73.68	416.41	-3.13	-76.81
C[NH+](C)CC1=CNC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024981020	0	50	0.0	-77.74	429.19	-3.50	-81.24
CC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024981047	1	46	0.0	-70.85	392.81	-3.84	-74.69
CCC(CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024981052	0	54	0.0	-68.77	438.04	-2.15	-70.92
C[NH+](C)CC(C)(C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981059	0	51	0.0	-71.00	411.95	-2.92	-73.92
C[N@H+]1CCCC[C@@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981100	1	49	0.0	-69.26	404.75	-3.18	-72.44
CC1CN2CC[N@H+]1CC2C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981112	1	52	0.0	-76.74	415.62	-5.80	-82.54
C[NH+](C)CC(O)CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981130	0	49	0.0	-78.01	415.51	-5.77	-83.78
C[NH+]1C2CCC1CC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024981132	0	53	0.0	-70.98	405.43	-2.27	-73.25
C=CCC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024981157	0	49	0.0	-69.20	406.48	-3.29	-72.49
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024981163	0	53	0.0	-74.55	430.23	-2.08	-76.63
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024981163	1	53	0.0	-73.28	430.32	-2.01	-75.29
C[NH+]1CCC(C)(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024981173	0	52	0.0	-71.72	420.07	-2.69	-74.41
NC(=[NH2+])SCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981199	0	40	0.0	-74.65	371.34	-7.90	-82.55
C[NH+](C)CCC1(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024981233	0	52	0.0	-76.66	437.23	-2.26	-78.92
C[N@@H+]1CC=CCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981234	0	50	0.0	-67.04	408.99	-2.78	-69.82
C[N@H+]1CC=CCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981234	1	50	0.0	-67.04	408.99	-2.78	-69.82
C[C@@H](OCC[NH+](C)C)C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981252	0	52	0.0	-71.75	438.47	-3.02	-74.77
C[NH+]1C2CCC1CC(C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024981272	0	53	0.0	-70.98	405.43	-2.27	-73.25
CCC1C[NH+](CC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024981355	1	49	0.0	-73.50	415.47	-2.91	-76.41
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1([NH+]2CCCC2)CCC1	REAL300024981357	0	53	0.0	-72.26	422.83	-2.06	-74.32
C[N@H+]1CCC[C@H]1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981363	1	46	0.0	-71.74	382.79	-4.22	-75.96
O=C(CC[N@H+]1CCC(F)C1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981369	1	49	0.0	-76.40	417.41	-2.96	-79.36
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C[NH+]1CCCCC1	REAL300024981384	0	49	0.0	-72.20	404.92	-2.88	-75.08
CC1C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024981390	0	49	0.0	-71.69	408.80	-3.22	-74.91
CC1C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024981390	1	49	0.0	-71.73	404.01	-3.57	-75.30
CN1CCOCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981424	0	50	0.0	-69.56	405.94	-5.09	-74.65
C[N@@H+]1CCOCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981424	1	50	0.0	-78.72	413.42	-4.96	-83.68
C[N@H+]1CCOCC1CC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981424	1	50	0.0	-69.56	405.94	-5.09	-74.65
CC1=C(C)[NH+]=C(CCC(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024981431	1	50	0.0	-68.62	433.05	-3.48	-72.10
CCOCC(N=[N+]=[N-])C(=O)NCC(O)CNC(=O)CSC1=NC(=O)NN1	REAL300024981435	0	46	0.0	-24.68	416.00	-8.49	-33.17
C[NH+](C)CCSCC(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981496	0	49	0.0	-78.73	429.71	-2.84	-81.57
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300024981662	1	48	0.0	-66.40	392.05	0.04	-66.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CCO1	REAL300024981686	0	49	0.0	-75.75	402.26	-0.24	-75.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CCO1	REAL300024981686	1	49	0.0	-80.92	409.35	-0.07	-80.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CCO1	REAL300024981686	1	49	0.0	-75.75	402.26	-0.24	-75.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCCCCC1	REAL300024981841	0	57	0.0	-65.26	443.07	2.26	-63.00
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C(C)C	REAL300024981843	0	57	0.0	-62.43	445.18	1.98	-60.45
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C(C)C	REAL300024981843	1	57	0.0	-62.37	445.07	2.00	-60.37
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C(C)C	REAL300024981861	0	54	0.0	-64.70	430.92	1.59	-63.11
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C(C)C	REAL300024981861	1	54	0.0	-64.32	430.93	1.58	-62.74
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024981876	0	55	0.0	-66.92	439.54	2.24	-64.68
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024981876	1	55	0.0	-71.33	439.43	2.20	-69.13
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981893	1	52	0.0	-64.65	437.62	2.22	-62.43
CC1=[NH+]C=CN1CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024981916	1	46	0.0	-65.73	401.41	1.10	-64.63
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCCC1	REAL300024981930	0	57	0.0	-70.67	457.03	2.67	-68.00
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300024981943	0	57	0.0	-67.39	439.97	2.39	-65.00
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+]2CCC1CC2	REAL300024981951	0	52	0.0	-76.40	413.35	1.28	-75.12
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300024981984	0	55	0.0	-64.96	428.76	2.06	-62.90
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300024981984	1	55	0.0	-65.19	428.11	2.03	-63.16
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024981994	0	51	0.0	-73.65	408.61	0.46	-73.19
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024981994	1	51	0.0	-69.69	415.07	0.76	-68.93
CC[C@@H]1[C@@H](C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024981998	0	54	0.0	-71.66	428.68	1.18	-70.48
CC[C@@H]1[C@@H](C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024981998	1	54	0.0	-68.65	433.86	1.51	-67.14
CCN1CCOC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024982007	0	52	0.0	-66.87	420.05	0.41	-66.46
CC[N@@H+]1CCOC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024982007	1	52	0.0	-79.20	427.17	0.58	-78.62
CC[N@H+]1CCOC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024982007	1	52	0.0	-66.87	420.05	0.41	-66.46
CC[NH+](CC)CC(F)C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982044	0	53	0.0	-72.07	433.90	1.38	-70.69
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1C(C)CCC1C	REAL300024982100	0	54	0.0	-64.79	429.02	1.36	-63.43
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCC1	REAL300024982104	0	54	0.0	-70.45	441.81	2.01	-68.44
C#CC[NH+]1CCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024982108	0	53	0.0	-73.87	441.26	2.29	-71.58
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCC1	REAL300024982109	0	54	0.0	-70.13	435.53	1.88	-68.25
CC[N@@H+]1CCCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982113	0	54	0.0	-66.16	422.32	1.55	-64.61
CC[N@H+]1CCCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982113	1	54	0.0	-63.59	431.76	1.72	-61.87
CC(C)C[N@@H+]1CCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024982125	0	57	0.0	-68.51	456.80	2.47	-66.04
CC(C)C[N@H+]1CCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024982125	1	57	0.0	-69.63	456.27	2.44	-67.19
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCC1	REAL300024982128	0	51	0.0	-69.01	405.87	0.59	-68.42
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCC[N@@H+]1C(C)C	REAL300024982130	0	57	0.0	-67.61	451.42	2.12	-65.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCC[N@H+]1C(C)C	REAL300024982130	1	57	0.0	-60.79	441.28	2.00	-58.79
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C(C)C)[NH+](C)C	REAL300024982140	0	53	0.0	-68.05	415.64	1.50	-66.55
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCC1	REAL300024982175	0	51	0.0	-67.33	418.10	1.46	-65.87
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCC1	REAL300024982175	1	51	0.0	-66.58	418.20	1.47	-65.11
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1C(C)CCC1C	REAL300024982216	0	57	0.0	-62.93	441.33	1.96	-60.97
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982266	1	50	0.0	-67.45	418.58	1.26	-66.19
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982266	1	50	0.0	-66.91	424.51	1.75	-65.16
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@@H+]1C	REAL300024982271	0	54	0.0	-70.15	433.92	1.50	-68.65
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@H+]1C	REAL300024982271	1	54	0.0	-72.92	439.36	1.97	-70.95
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300024982278	0	55	0.0	-70.32	429.36	1.68	-68.64
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300024982281	0	55	0.0	-64.16	439.86	2.43	-61.73
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300024982281	1	55	0.0	-64.19	439.49	2.37	-61.82
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+]1CCCC1	REAL300024982295	0	57	0.0	-71.45	463.30	2.79	-68.66
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024982304	0	51	0.0	-72.13	416.58	1.14	-70.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024982330	1	50	0.0	-77.73	431.10	0.51	-77.22
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024982352	0	51	0.0	-64.58	413.94	1.08	-63.50
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300024982352	1	51	0.0	-67.62	404.63	0.90	-66.72
CC(C)C[N@@H+]1CCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982369	0	57	0.0	-65.83	456.77	2.66	-63.17
CC(C)C[N@H+]1CCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982369	1	57	0.0	-65.43	456.86	2.64	-62.79
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024982450	0	46	0.0	-71.27	402.14	2.99	-68.28
CC1=[NH+]C=CN1CCCC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982456	1	52	0.0	-67.66	442.95	2.38	-65.28
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCOCC1	REAL300024982460	1	52	0.0	-73.08	427.24	-0.52	-73.60
CC1=C[NH+]=CN1CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982482	1	46	0.0	-69.75	400.69	1.78	-67.97
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+]1CCC2	REAL300024982513	0	52	0.0	-68.15	416.71	1.47	-66.68
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300024982532	0	57	0.0	-65.14	444.27	2.15	-62.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300024982534	0	51	0.0	-71.38	418.42	1.08	-70.30
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300024982534	1	51	0.0	-71.34	418.42	1.08	-70.26
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300024982544	0	50	0.0	-75.80	422.70	0.28	-75.52
CCC(C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024982548	0	50	0.0	-65.36	402.39	0.48	-64.88
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+](C)C)CCCC1	REAL300024982556	0	57	0.0	-71.43	435.81	1.90	-69.53
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024982586	1	46	0.0	-75.01	402.42	3.00	-72.01
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+](C)C	REAL300024982629	0	53	0.0	-72.79	437.34	1.61	-71.18
CC(C)C(C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024982645	0	53	0.0	-69.55	419.84	1.40	-68.15
CCC[N@H+](C)CCC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982647	0	53	0.0	-71.45	433.57	1.43	-70.02
CCC[N@@H+](C)CCC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982647	1	53	0.0	-71.27	433.57	1.44	-69.83
CCC[N@H+](C)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982652	0	50	0.0	-68.81	411.20	0.90	-67.91
CCC[N@@H+](C)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982652	1	50	0.0	-68.98	411.21	0.89	-68.09
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300024982672	0	52	0.0	-69.91	413.55	0.69	-69.22
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300024982672	1	52	0.0	-74.48	412.76	0.80	-73.68
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300024982702	0	48	0.0	-66.74	398.31	0.55	-66.19
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300024982702	1	48	0.0	-66.43	391.95	0.03	-66.40
CC[NH+](CC)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024982755	0	50	0.0	-67.12	403.57	0.57	-66.55
CCC[N@@H+]1CCCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024982786	0	57	0.0	-62.74	449.45	2.70	-60.04
CCC[N@H+]1CCCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024982786	1	57	0.0	-68.82	455.72	2.50	-66.32
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(C)CC1	REAL300024982825	0	54	0.0	-68.99	434.94	1.98	-67.01
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CC1	REAL300024982857	0	51	0.0	-73.53	423.67	1.23	-72.30
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C(C)C)CC1	REAL300024982916	0	57	0.0	-71.64	447.22	2.09	-69.55
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300024982931	0	51	0.0	-72.13	416.58	1.14	-70.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C(C)C)[NH+](C)C	REAL300024982949	0	53	0.0	-66.27	420.67	1.67	-64.60
CCC(C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024982979	0	56	0.0	-63.69	438.14	1.79	-61.90
CC[N@H+](C)CCC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024983026	0	50	0.0	-70.72	412.07	0.70	-70.02
CC[N@@H+](C)CCC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024983026	1	50	0.0	-70.57	412.07	0.70	-69.87
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300024983072	0	51	0.0	-65.56	410.67	0.86	-64.70
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1C	REAL300024983072	1	51	0.0	-65.82	410.65	0.87	-64.95
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300024983074	0	51	0.0	-67.79	417.31	1.17	-66.62
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)C1	REAL300024983074	1	51	0.0	-68.11	418.23	1.14	-66.97
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024983078	0	54	0.0	-68.21	437.22	1.72	-66.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300024983078	1	54	0.0	-67.95	436.93	1.74	-66.21
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300024983079	0	56	0.0	-68.81	441.76	2.03	-66.78
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300024983079	1	56	0.0	-68.86	439.81	1.89	-66.97
CC[C@@H](C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024983087	0	50	0.0	-67.49	402.39	0.49	-67.00
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+](C)C	REAL300024983228	0	44	0.0	-69.36	371.98	-0.52	-69.88
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCCC1	REAL300024983232	0	54	0.0	-68.68	423.06	1.53	-67.15
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N+]1=CN(C)C=C1	REAL300024983236	0	46	0.0	-67.90	403.21	2.99	-64.91
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C)C1	REAL300024983242	0	51	0.0	-69.80	416.57	1.09	-68.71
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C)C1	REAL300024983242	1	51	0.0	-64.71	410.31	1.31	-63.40
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300024983247	0	52	0.0	-64.14	429.41	2.01	-62.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300024983247	1	52	0.0	-64.34	424.33	1.87	-62.47
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCC1	REAL300024983270	1	48	0.0	-68.35	401.98	0.41	-67.94
CCC(CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024983274	0	56	0.0	-67.28	447.21	2.10	-65.18
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C[NH+](C)C	REAL300024983281	0	53	0.0	-67.76	419.51	1.18	-66.58
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024983295	0	53	0.0	-68.52	429.47	2.03	-66.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024983295	1	53	0.0	-66.38	422.10	2.25	-64.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(O)CC1	REAL300024983303	1	52	0.0	-72.87	424.79	-2.00	-74.87
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CC1	REAL300024983304	0	48	0.0	-66.54	401.38	0.89	-65.65
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CC1	REAL300024983304	1	48	0.0	-66.93	401.38	0.89	-66.04
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)N1CC[NH+](C)CC1	REAL300024983305	1	56	0.0	-70.70	445.24	-0.68	-71.38
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300024983323	0	48	0.0	-71.28	403.42	0.30	-70.98
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300024983327	0	55	0.0	-67.67	438.79	1.89	-65.78
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C1CCCC1	REAL300024983327	1	55	0.0	-67.55	437.22	1.92	-65.63
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024983335	0	54	0.0	-66.02	433.49	1.22	-64.80
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300024983335	1	54	0.0	-65.35	415.88	1.05	-64.30
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024983346	0	47	0.0	-68.35	389.87	-0.10	-68.45
CC(CCNC(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300024983353	0	38	0.0	-25.62	348.94	-4.92	-30.54
CCC1CCC[N@H+](CC(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024983377	0	57	0.0	-68.84	452.96	2.60	-66.24
CCC1CCC[N@@H+](CC(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024983377	1	57	0.0	-68.92	445.93	2.56	-66.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024983384	0	52	0.0	-80.39	438.82	0.65	-79.74
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=CSC1=[NH2+]	REAL300024983425	0	44	0.0	-64.64	399.05	-0.34	-64.98
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)CCO	REAL300024983435	0	51	0.0	-70.14	422.42	-2.53	-72.67
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)CCO	REAL300024983435	1	51	0.0	-70.64	422.38	-2.54	-73.18
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300024983436	0	47	0.0	-68.35	389.87	-0.10	-68.45
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300024983440	0	51	0.0	-67.22	413.95	1.09	-66.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300024983440	1	51	0.0	-67.65	404.63	0.90	-66.75
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300024983448	0	54	0.0	-68.88	424.81	-1.54	-70.42
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CC2C	REAL300024983448	1	54	0.0	-75.45	424.75	-1.54	-76.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC1	REAL300024983508	1	45	0.0	-68.93	382.08	-0.10	-69.03
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@H+](C)C1	REAL300024983531	0	49	0.0	-73.10	410.83	1.02	-72.08
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300024983531	1	49	0.0	-73.56	409.87	1.05	-72.51
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCC[NH+](C)C	REAL300024983561	0	51	0.0	-71.36	427.85	0.54	-70.82
C=CCC(C)(C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024983580	0	54	0.0	-67.81	423.70	1.29	-66.52
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)CC[S+](C)C	REAL300024983584	0	50	0.0	-70.22	436.83	-0.86	-71.08
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024983609	0	52	0.0	-68.32	415.54	-2.39	-70.71
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300024983618	0	56	0.0	-66.87	442.92	-0.75	-67.62
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024983618	1	56	0.0	-66.87	442.92	-0.75	-67.62
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC(C)C1	REAL300024983635	0	48	0.0	-68.93	403.25	0.58	-68.35
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)C1	REAL300024983635	1	48	0.0	-68.93	403.25	0.58	-68.35
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN(C)CCO	REAL300024983657	0	48	0.0	-69.99	400.06	-3.09	-73.08
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCO	REAL300024983657	1	48	0.0	-68.82	399.84	-3.10	-71.92
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCO	REAL300024983657	1	48	0.0	-68.82	399.84	-3.10	-71.92
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300024983676	0	54	0.0	-73.91	418.86	-0.73	-74.64
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CCC2	REAL300024983676	1	54	0.0	-73.91	418.86	-0.73	-74.64
CC[N@@H+]1CCCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024983681	0	54	0.0	-62.57	427.96	1.96	-60.61
CC[N@H+]1CCCC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024983681	1	54	0.0	-62.57	427.96	1.96	-60.61
CC(CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024983683	0	53	0.0	-71.96	429.17	1.48	-70.48
CC[N@H+](C)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024983690	0	47	0.0	-68.59	389.71	0.15	-68.44
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300024983709	0	55	0.0	-63.63	425.66	2.09	-61.54
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CCCC2	REAL300024983709	1	55	0.0	-63.63	425.66	2.09	-61.54
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300024983714	0	53	0.0	-64.92	416.46	2.04	-62.88
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300024983714	1	53	0.0	-64.92	416.46	2.04	-62.88
CC[N@H+](CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024983733	0	51	0.0	-67.06	413.38	1.39	-65.67
CC[NH+](CC)CCC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024983745	0	53	0.0	-70.20	425.58	1.12	-69.08
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC(C)(C)C1	REAL300024983764	0	51	0.0	-69.14	422.39	1.05	-68.09
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)(C)C1	REAL300024983764	1	51	0.0	-69.14	422.39	1.05	-68.09
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024983786	0	52	0.0	-67.91	427.98	-2.10	-70.01
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300024983793	0	48	0.0	-73.19	407.94	0.70	-72.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)OCC[NH+](C)C	REAL300024983810	0	54	0.0	-71.06	447.63	1.22	-69.84
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCOCC[NH+](C)C	REAL300024983817	0	54	0.0	-70.06	448.80	0.28	-69.78
COCCN(C)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024983818	0	51	0.0	-68.47	422.09	-0.69	-69.16
COCC[N@H+](C)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024983818	1	51	0.0	-70.17	422.31	-0.68	-70.85
COCC[N@@H+](C)CC(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024983818	1	51	0.0	-70.17	422.31	-0.68	-70.85
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCCC1	REAL300024983842	0	54	0.0	-73.23	424.15	1.98	-71.25
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC(C)[NH+](C)C	REAL300024983845	0	53	0.0	-69.72	429.26	1.20	-68.52
CCN1CCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024983851	0	48	0.0	-68.20	403.63	0.44	-67.76
CC[N@@H+]1CCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024983851	1	48	0.0	-66.24	396.55	0.12	-66.12
CC[N@H+]1CCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024983851	1	48	0.0	-66.24	396.55	0.12	-66.12
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300024983859	0	57	0.0	-61.63	444.61	2.48	-59.15
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300024983859	1	57	0.0	-61.63	444.61	2.48	-59.15
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1CO	REAL300024983870	0	52	0.0	-67.48	426.11	-2.05	-69.53
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024983890	0	55	0.0	-71.33	439.43	2.20	-69.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300024983890	1	55	0.0	-71.33	439.43	2.20	-69.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300024983896	0	54	0.0	-64.84	429.23	1.55	-63.29
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024983902	0	52	0.0	-74.15	438.36	0.81	-73.34
C=CCC(C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024983921	0	51	0.0	-64.71	415.65	0.96	-63.75
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024983930	0	54	0.0	-65.81	431.87	1.19	-64.62
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300024983930	1	54	0.0	-65.81	431.87	1.19	-64.62
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCCC[NH+](C)C	REAL300024983933	0	56	0.0	-72.74	458.84	2.39	-70.35
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300024983963	0	54	0.0	-69.76	409.98	-1.28	-71.04
CCCC(C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024983964	0	53	0.0	-66.10	423.88	1.26	-64.84
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+](C)C	REAL300024983968	0	50	0.0	-72.65	399.44	0.63	-72.02
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300024984001	0	51	0.0	-67.62	404.63	0.90	-66.72
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300024984032	0	52	0.0	-68.69	431.11	1.80	-66.89
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300024984032	1	52	0.0	-68.69	431.11	1.80	-66.89
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+]2CCCC2)CC1	REAL300024984040	0	55	0.0	-66.84	435.96	2.15	-64.69
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(CN(C)C)O1	REAL300024984077	0	51	0.0	-77.65	436.56	1.29	-76.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024984077	1	51	0.0	-77.65	436.56	1.29	-76.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+]1CCCC1	REAL300024984091	0	52	0.0	-73.25	432.54	1.76	-71.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300024984109	0	55	0.0	-69.54	445.83	2.55	-66.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300024984128	0	51	0.0	-70.11	420.31	1.21	-68.90
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+]2CCN1CC2	REAL300024984160	0	51	0.0	-77.67	408.34	-2.06	-79.73
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300024984168	0	49	0.0	-70.33	401.63	0.85	-69.48
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@H+]2C	REAL300024984168	1	49	0.0	-72.14	404.23	0.63	-71.51
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300024984179	0	52	0.0	-66.88	415.87	1.38	-65.50
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2CCC1C2	REAL300024984179	1	52	0.0	-66.86	419.00	1.58	-65.28
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1C[NH+]2CCC1CC2	REAL300024984215	0	53	0.0	-67.39	428.11	1.87	-65.52
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300024984225	1	50	0.0	-65.15	411.11	1.36	-63.79
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300024984225	1	50	0.0	-66.95	411.11	1.44	-65.51
CC[NH+]1CCN(CC(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024984251	0	56	0.0	-70.10	448.73	-0.33	-70.43
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)C[NH+](C)C	REAL300024984265	0	50	0.0	-70.94	410.38	0.74	-70.20
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@@H+]1C	REAL300024984326	0	54	0.0	-71.71	431.24	1.67	-70.04
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@H+]1C	REAL300024984326	1	54	0.0	-71.67	431.23	1.67	-70.00
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CC(C)C1	REAL300024984340	0	51	0.0	-66.72	421.17	1.18	-65.54
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC1C	REAL300024984342	1	48	0.0	-67.99	403.24	0.60	-67.39
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC1C	REAL300024984342	1	48	0.0	-66.88	397.75	0.29	-66.59
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC(O)C[NH+](C)C	REAL300024984345	0	51	0.0	-74.63	424.57	-1.50	-76.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CC(C)O1	REAL300024984369	1	52	0.0	-67.66	423.46	0.49	-67.17
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300024984369	1	52	0.0	-80.57	423.81	0.64	-79.93
CCC[N@@H+]1CCCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024984378	0	57	0.0	-66.46	443.84	2.29	-64.17
CCC[N@H+]1CCCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024984378	1	57	0.0	-66.44	443.83	2.29	-64.15
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024984434	0	51	0.0	-68.36	421.52	1.21	-67.15
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)CC[NH+](C)C	REAL300024984441	0	53	0.0	-71.58	432.02	1.37	-70.21
C#CC[N@H+]1CCCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024984462	1	53	0.0	-66.85	439.27	2.28	-64.57
C#CC[N@@H+]1CCCCC1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024984462	1	53	0.0	-66.89	439.27	2.27	-64.62
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC[NH+](C)CC1	REAL300024984465	1	53	0.0	-71.89	431.38	-1.00	-72.89
CC[NH+]1CCN(CC(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024984472	0	56	0.0	-70.10	448.73	-0.33	-70.43
CC(CCNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984642	0	48	0.0	-73.81	391.98	0.02	-73.79
CC(CCNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984642	1	48	0.0	-73.72	391.93	0.03	-73.69
CC(CCNC(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984668	1	49	0.0	-78.50	402.23	-0.21	-78.71
CC(CCNC(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984668	1	49	0.0	-87.63	409.35	-0.07	-87.70
CC1=[NH+]C=CN1CCCC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984825	1	52	0.0	-72.66	442.95	2.37	-70.29
CC(CCNC(=O)CC[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984829	1	52	0.0	-78.69	427.25	-0.52	-79.21
CC(CCNC(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984847	0	52	0.0	-77.79	416.63	1.47	-76.32
CC(CCNC(=O)C1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984855	1	46	0.0	-81.36	402.42	2.99	-78.37
CC(CCNC(=O)C1CCCC([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984901	0	57	0.0	-68.03	444.29	2.14	-65.89
CC(CCNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984903	0	51	0.0	-77.45	418.30	1.06	-76.39
CC(CCNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984903	1	51	0.0	-77.91	418.52	1.07	-76.84
CC(CCNC(=O)C1=C[NH+]=CC=C1N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984913	0	50	0.0	-84.11	423.00	0.29	-83.82
CCC(C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024984917	0	50	0.0	-70.63	402.63	0.47	-70.16
CC(CCNC(=O)CCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984966	0	53	0.0	-77.61	437.34	1.62	-75.99
CC(C)C(C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024984984	0	53	0.0	-71.59	419.36	1.71	-69.88
CCC[N@H+](C)CCC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984986	0	53	0.0	-76.80	433.57	1.43	-75.37
CCC[N@@H+](C)CCC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984986	1	53	0.0	-76.81	433.57	1.43	-75.38
CCC[N@H+](C)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984991	0	50	0.0	-74.01	411.21	0.88	-73.13
CCC[N@@H+](C)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024984991	1	50	0.0	-73.98	411.21	0.88	-73.10
CC(CCNC(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985011	0	52	0.0	-81.49	413.91	0.71	-80.78
CC(CCNC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985011	1	52	0.0	-81.90	413.91	0.71	-81.19
CC(CCNC(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985060	0	54	0.0	-74.71	434.94	1.97	-72.74
CC(CCNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985119	0	55	0.0	-76.20	439.52	2.23	-73.97
CC(CCNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985119	1	55	0.0	-76.43	439.48	2.23	-74.20
CC(CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985128	0	51	0.0	-77.53	422.63	1.19	-76.34
CC(CCNC(=O)C1CC[NH+](C(C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985137	0	57	0.0	-76.85	447.23	2.09	-74.76
CC[N@H+](C)CCC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985153	0	50	0.0	-76.08	412.08	0.70	-75.38
CC[N@@H+](C)CCC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985153	1	50	0.0	-76.05	412.07	0.69	-75.36
CC(CCNC(=O)C(C)(C)[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985172	0	57	0.0	-75.10	441.35	2.45	-72.65
CC(CCNC(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985180	0	52	0.0	-81.72	413.35	1.27	-80.45
CC(CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985239	0	51	0.0	-79.88	416.57	1.14	-78.74
CC(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985257	0	53	0.0	-71.11	415.59	1.01	-70.10
CC[NH+](CC)CC(F)C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985337	0	53	0.0	-77.46	429.11	1.10	-76.36
CC(C)C[N@@H+]1CCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024985363	0	57	0.0	-74.50	457.06	2.45	-72.05
CC(C)C[N@H+]1CCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024985363	1	57	0.0	-75.15	457.94	2.42	-72.73
CC(CCNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985366	0	51	0.0	-80.64	402.83	1.02	-79.62
CCC(C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024985396	0	56	0.0	-67.55	438.24	1.85	-65.70
CC(CCNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985412	0	51	0.0	-71.50	417.14	1.25	-70.25
CC(CCNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985412	1	51	0.0	-70.69	410.69	0.86	-69.83
CC(CCNC(=O)C(C)[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985457	0	57	0.0	-71.44	443.07	2.26	-69.18
CC(CCNC(=O)C1CCCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985459	0	57	0.0	-68.42	445.04	1.97	-66.45
CC(CCNC(=O)C1CCCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985459	1	57	0.0	-68.21	445.07	1.97	-66.24
CC(CCNC(=O)C1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985477	0	54	0.0	-69.66	430.78	1.60	-68.06
CC(CCNC(=O)C1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985477	1	54	0.0	-69.27	433.79	1.70	-67.57
CC(CCNC(=O)CC1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985483	0	57	0.0	-73.17	451.31	2.11	-71.06
CC(CCNC(=O)CC1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985483	1	57	0.0	-67.51	440.93	1.54	-65.97
CC(CCNC(=O)[C@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985493	0	53	0.0	-71.60	419.35	1.71	-69.89
CC(CCNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985511	0	51	0.0	-73.52	417.36	1.23	-72.29
CC(CCNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985511	1	51	0.0	-73.45	417.85	1.24	-72.21
CC(CCNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985515	0	54	0.0	-73.70	437.55	1.73	-71.97
CC(CCNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985515	1	54	0.0	-73.66	437.55	1.73	-71.93
CC(CCNC(=O)C[N@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985516	0	56	0.0	-73.85	441.76	2.03	-71.82
CC(CCNC(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985516	1	56	0.0	-74.13	439.81	1.88	-72.25
CC[C@@H](C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024985524	0	50	0.0	-70.76	402.22	0.49	-70.27
CC1=[NH+]C=CN1CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985683	1	46	0.0	-70.67	401.41	1.09	-69.58
CC(CCNC(=O)CCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985697	0	57	0.0	-75.68	457.03	2.67	-73.01
CC(CCNC(=O)C1=NOC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985709	1	50	0.0	-81.81	431.10	0.50	-81.31
CC(C)C1=[NH+]C=CN1CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985735	1	52	0.0	-69.32	437.62	2.20	-67.12
CC(CCNC(=O)C1CCCC2CCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985761	0	55	0.0	-67.27	436.56	2.31	-64.96
CC(CCNC(=O)C1CCCC2CCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985761	1	55	0.0	-67.61	436.53	2.31	-65.30
CC[N@@H+]1CCOC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024985774	1	52	0.0	-78.05	420.04	0.43	-77.62
CC[N@H+]1CCOC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024985774	1	52	0.0	-78.00	420.04	0.42	-77.58
CC(CCNC(=O)C1=CN2C=[NH+]C=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985812	0	46	0.0	-75.80	402.15	2.97	-72.83
CC1=C[NH+]=CN1CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985816	1	46	0.0	-73.41	400.69	1.77	-71.64
CC(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985825	0	51	0.0	-79.01	408.57	0.45	-78.56
CC(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985825	1	51	0.0	-75.47	414.02	0.99	-74.48
CC[C@@H]1[C@@H](C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024985829	0	54	0.0	-76.37	429.47	1.16	-75.21
CC[C@@H]1[C@@H](C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024985829	1	54	0.0	-74.00	432.99	1.69	-72.31
CC(CCNC(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985839	0	54	0.0	-70.31	429.01	1.35	-68.96
CC(CCNC(=O)CCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985843	0	54	0.0	-75.30	441.81	2.01	-73.29
C#CC[NH+]1CCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024985848	0	53	0.0	-80.50	441.75	2.35	-78.15
CC(CCNC(=O)CC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985849	0	54	0.0	-75.43	435.53	1.88	-73.55
CC[N@@H+]1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985854	0	54	0.0	-70.35	422.34	1.56	-68.79
CC[N@H+]1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985854	1	54	0.0	-70.48	422.31	1.56	-68.92
CC(CCNC(=O)CC1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985886	0	57	0.0	-78.23	435.81	1.90	-76.33
CC(CCNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985997	0	51	0.0	-72.16	418.10	1.45	-70.71
CC(CCNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024985997	1	51	0.0	-71.69	418.20	1.46	-70.23
CC(CCNC(=O)C(C)[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986014	0	57	0.0	-68.10	441.34	1.95	-66.15
CC(CCNC(=O)CCCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986025	0	57	0.0	-76.14	463.30	2.79	-73.35
CC(CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986034	0	51	0.0	-79.88	416.57	1.14	-78.74
CC(CCNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986068	0	48	0.0	-70.88	398.25	0.54	-70.34
CC(CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986068	1	48	0.0	-73.80	391.98	0.03	-73.77
C#CC[N@H+]1CCC[C@H]1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986087	1	50	0.0	-72.28	418.63	1.25	-71.03
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986087	1	50	0.0	-71.97	424.51	1.76	-70.21
CC(CCNC(=O)CCC1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986092	0	54	0.0	-73.74	433.93	1.50	-72.24
CC(CCNC(=O)CCC1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986092	1	54	0.0	-78.43	439.36	1.97	-76.46
CC(CCNC(=O)C12CCC[NH+](CCC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986099	0	55	0.0	-74.68	429.37	1.68	-73.00
CC(CCNC(=O)C1CCC2CCCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986102	0	55	0.0	-69.03	439.85	2.42	-66.61
CC(CCNC(=O)C1CCC2CCCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986102	1	55	0.0	-69.08	439.83	2.41	-66.67
CCC[N@@H+]1CCCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024986161	0	57	0.0	-74.06	455.70	2.50	-71.56
CCC[N@H+]1CCCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024986161	1	57	0.0	-67.24	449.48	2.70	-64.54
CC(CCNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986194	0	51	0.0	-70.96	413.94	1.06	-69.90
CC(CCNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986194	1	51	0.0	-71.40	404.61	0.88	-70.52
CC(C)C[N@@H+]1CCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986212	0	57	0.0	-72.71	446.41	2.74	-69.97
CC(C)C[N@H+]1CCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986212	1	57	0.0	-71.17	456.62	2.69	-68.48
CC(CCNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986263	0	51	0.0	-75.50	414.20	0.91	-74.59
CC(CCNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986263	1	51	0.0	-75.35	418.45	0.88	-74.47
CC(CCNC(=O)CCC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986265	0	57	0.0	-73.37	453.01	2.39	-70.98
CC(CCNC(=O)CCC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986265	1	57	0.0	-73.39	453.34	2.40	-70.99
CC(CCNC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986342	0	54	0.0	-71.41	417.34	0.64	-70.77
CC(CCNC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986342	1	54	0.0	-72.98	415.88	1.06	-71.92
CC(CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986360	0	47	0.0	-72.53	390.08	-0.13	-72.66
C=CCC(C)(C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024986374	0	54	0.0	-67.69	427.35	1.53	-66.16
CC(CCNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986394	0	51	0.0	-75.43	420.31	1.21	-74.22
CC(CCNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986404	1	48	0.0	-74.89	400.06	-3.10	-77.99
CC(CCNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986404	1	48	0.0	-74.57	399.84	-3.10	-77.67
CC(CCNC(=O)C1C[N@@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986433	0	54	0.0	-81.08	420.15	-1.21	-82.29
CC(CCNC(=O)C1C[N@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986433	1	54	0.0	-85.95	418.78	-0.72	-86.67
CC(CCNC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986477	0	52	0.0	-72.73	431.12	1.80	-70.93
CC(CCNC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986477	1	52	0.0	-70.55	431.11	1.80	-68.75
CC(CCNC(=O)C(O)CC[S+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986491	0	50	0.0	-81.83	436.83	-0.87	-82.70
CC(CCNC(=O)C1(C)CC(O)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986509	0	52	0.0	-82.26	418.39	-2.36	-84.62
CC(CCNC(=O)C1(C)CC(O)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986509	1	52	0.0	-80.75	421.26	-2.37	-83.12
CC(CCNC(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986518	0	56	0.0	-71.53	444.24	-0.33	-71.86
CC(CCNC(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986518	1	56	0.0	-72.03	442.10	-0.35	-72.38
CC(CCNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986546	1	48	0.0	-74.18	403.25	0.57	-73.61
CC[N@@H+]1CCCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024986552	0	54	0.0	-73.45	434.22	1.75	-71.70
CC[N@H+]1CCCC(C(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024986552	1	54	0.0	-73.46	434.21	1.75	-71.71
CC(CCNC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986567	0	52	0.0	-73.59	424.44	1.48	-72.11
CC(CCNC(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986567	1	52	0.0	-69.28	424.32	1.86	-67.42
CC(CCNC(=O)C=CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986602	0	52	0.0	-78.13	432.54	1.75	-76.38
CC(CCNC(=O)C1CC[NH+](C2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986620	0	55	0.0	-77.22	441.43	2.34	-74.88
CC[N@H+](C)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986657	0	47	0.0	-73.79	389.71	0.15	-73.64
CC(CCNC(=O)CN1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986700	0	50	0.0	-72.39	411.09	1.44	-70.95
CC(CCNC(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986700	1	50	0.0	-70.34	411.07	1.36	-68.98
CC(CCNC(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986700	1	50	0.0	-70.34	411.07	1.36	-68.98
CC(CCNC(=O)C1C[NH+]2CCN1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986767	0	51	0.0	-82.80	408.25	-2.06	-84.86
CC(CCNC(=O)C12CCC[N@@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986800	0	55	0.0	-68.18	426.32	2.06	-66.12
CC(CCNC(=O)C12CCC[N@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986800	1	55	0.0	-68.18	426.32	2.06	-66.12
CC(CCNC(=O)C12CCC[N@@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986806	0	53	0.0	-77.86	417.98	2.35	-75.51
CC(CCNC(=O)C12CCC[N@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986806	1	53	0.0	-77.86	417.98	2.35	-75.51
CC(CCNC(=O)C(C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986815	0	54	0.0	-75.31	447.63	1.22	-74.09
CC(CCNC(=O)CCOCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986823	0	54	0.0	-75.69	448.79	0.28	-75.41
COCCN(C)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986825	0	51	0.0	-74.27	422.10	-0.69	-74.96
COCC[N@H+](C)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986825	1	51	0.0	-75.12	422.31	-0.69	-75.81
COCC[N@@H+](C)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986825	1	51	0.0	-75.12	422.31	-0.69	-75.81
CC(CCNC(=O)CCC(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986830	0	53	0.0	-74.52	429.26	1.20	-73.32
CC[N@H+](CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024986850	0	51	0.0	-72.80	413.38	1.38	-71.42
CC(CCNC(=O)C1C[N@@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986863	0	54	0.0	-82.34	424.97	-1.55	-83.89
CC(CCNC(=O)C1C[N@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986863	1	54	0.0	-82.34	424.97	-1.55	-83.89
CC(CCNC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986883	0	49	0.0	-78.82	404.02	0.67	-78.15
CC(CCNC(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986896	0	52	0.0	-71.34	416.15	1.38	-69.96
CC(CCNC(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986896	1	52	0.0	-71.34	416.15	1.38	-69.96
CC(CCNC(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986915	0	50	0.0	-75.81	410.39	0.75	-75.06
CCN1CCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986957	0	48	0.0	-72.75	395.85	0.32	-72.43
CC[N@@H+]1CCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986957	1	48	0.0	-73.51	403.61	0.50	-73.01
CC[N@H+]1CCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986957	1	48	0.0	-73.51	403.61	0.50	-73.01
CC(CCNC(=O)C1CCC[N@@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986967	0	57	0.0	-66.40	444.60	2.47	-63.93
CC(CCNC(=O)C1CCC[N@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986967	1	57	0.0	-66.40	444.60	2.47	-63.93
CCC(C)(C)[NH2+]C(C)C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024986977	0	56	0.0	-72.77	437.41	0.11	-72.66
C#CCN1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987014	0	53	0.0	-71.24	439.26	2.26	-68.98
C#CC[N@H+]1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987014	1	53	0.0	-71.34	439.27	2.25	-69.09
C#CC[N@@H+]1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987014	1	53	0.0	-71.34	439.27	2.25	-69.09
CCCC(C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024987025	0	53	0.0	-71.64	423.89	1.25	-70.39
CC(CCNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987032	0	50	0.0	-79.24	399.21	0.67	-78.57
CC(CCNC(=O)C(C)CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987050	0	53	0.0	-75.70	432.02	1.38	-74.32
CC(CCNC(=O)C12CC(C1)C[N@@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987102	0	53	0.0	-76.54	430.01	2.79	-73.75
CC(CCNC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987129	0	54	0.0	-73.11	431.85	1.19	-71.92
CC(CCNC(=O)C1CC(C)(C)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987129	1	54	0.0	-73.11	431.85	1.19	-71.92
CC(CCNC(=O)CCCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987132	0	56	0.0	-76.86	458.84	2.40	-74.46
CCC[N@@H+]1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987138	0	57	0.0	-70.62	453.27	2.47	-68.15
CCC[N@H+]1CCCCC1C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987138	1	57	0.0	-70.62	453.27	2.47	-68.15
CC(CCNC(=O)CN1CCN(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987147	0	53	0.0	-74.84	431.38	-1.01	-75.85
CC(CCNC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987147	1	53	0.0	-74.84	431.38	-1.01	-75.85
CC(CCNC(=O)C1C[N@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987223	1	52	0.0	-78.94	423.43	0.52	-78.42
CC(CCNC(=O)C1C[N@@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987223	1	52	0.0	-78.94	423.46	0.51	-78.43
CCC1CCC[N@H+](CC(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024987250	0	57	0.0	-74.50	452.96	2.59	-71.91
CCC1CCC[N@@H+](CC(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024987250	1	57	0.0	-74.47	452.96	2.59	-71.88
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CC(CCNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987516	0	48	0.0	-73.35	391.95	0.03	-73.32
CC(CCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987516	1	48	0.0	-70.88	398.28	0.55	-70.33
CC(CCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987637	0	51	0.0	-75.27	421.54	1.20	-74.07
CC(CCNC(=O)C1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987648	0	57	0.0	-80.67	450.80	2.31	-78.36
CC(CCNC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987649	0	54	0.0	-78.30	447.72	2.02	-76.28
CC(CCNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987650	0	57	0.0	-69.82	444.27	2.18	-67.64
CC(CCNC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987651	0	52	0.0	-78.14	423.19	1.53	-76.61
CC(CCNC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987651	1	52	0.0	-78.14	423.19	1.53	-76.61
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CC(CCNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987738	0	44	0.0	-70.32	399.05	-0.35	-70.67
CC(CCNC(=O)[C@@H](C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987802	0	54	0.0	-71.95	447.63	1.23	-70.72
CC(CCNC(=O)CC[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987832	0	57	0.0	-77.65	446.00	2.10	-75.55
CC(CCNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987835	0	51	0.0	-74.01	414.08	1.36	-72.65
CC(CCNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987837	0	51	0.0	-66.94	410.29	1.30	-65.64
CC(CCNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987837	1	51	0.0	-75.03	416.57	1.10	-73.93
CC(CCNC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987838	0	54	0.0	-73.11	423.05	1.53	-71.58
CC(CCNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987843	0	46	0.0	-71.71	403.21	2.98	-68.73
CC(CCNC(=O)C1=CC=C(C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987858	1	51	0.0	-83.65	435.47	1.19	-82.46
CC(CCNC(=O)C[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987873	1	52	0.0	-79.04	424.79	-2.01	-81.05
CC(CCNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987877	1	48	0.0	-71.59	401.38	0.88	-70.71
CC(CCNC(=O)C(C)N1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987879	1	56	0.0	-74.05	445.23	-0.69	-74.74
CC(CCNC(=O)CC[N@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987881	1	51	0.0	-77.93	426.58	1.29	-76.64
CCOCC(N=[N+]=[N-])C(=O)NCCC(C)NC(=O)CSC1=NC(=O)NN1	REAL300024987897	0	48	0.0	-25.62	425.15	-4.24	-29.86
CC(CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024987903	0	53	0.0	-79.87	429.12	1.45	-78.42
CC(CCNC(=O)C1CC[N@@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987915	0	53	0.0	-71.33	427.07	-0.21	-71.54
CC(CCNC(=O)C1CC[N@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987915	1	53	0.0	-71.29	427.20	-0.20	-71.49
CC(CCNC(=O)CC1COCCN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987931	0	52	0.0	-69.73	415.10	-0.85	-70.58
CC(CCNC(=O)CC1COCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987931	1	52	0.0	-70.26	415.11	-0.85	-71.11
CC(CCNC(=O)CC1COCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024987931	1	52	0.0	-69.73	415.10	-0.85	-70.58
CC[NH+]1CCN(CC(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024987938	0	56	0.0	-73.30	448.73	-0.34	-73.64
CC(CCNC(=O)C[N@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988022	1	52	0.0	-74.55	428.38	-2.13	-76.68
CC(CCNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988052	0	48	0.0	-75.43	403.42	0.30	-75.13
CC(CCNC(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988056	0	55	0.0	-75.07	444.41	2.44	-72.63
CC(CCNC(=O)C1CC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988056	1	55	0.0	-74.65	442.65	2.27	-72.38
CC(CCNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988064	0	44	0.0	-74.40	371.98	-0.53	-74.93
CC(CCNC(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988088	0	51	0.0	-75.92	422.43	-2.54	-78.46
CC(CCNC(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988088	1	51	0.0	-75.40	422.41	-2.55	-77.95
CC(CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988089	0	47	0.0	-72.53	390.08	-0.13	-72.66
CC(CCNC(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988106	0	54	0.0	-77.78	431.23	1.67	-76.11
CC(CCNC(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988106	1	54	0.0	-77.73	431.22	1.67	-76.06
CC(CCNC(=O)C(C)[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988123	0	51	0.0	-72.95	422.32	1.14	-71.81
CC(CCNC(=O)CN1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988125	0	48	0.0	-71.93	397.77	0.28	-71.65
CC(CCNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988125	1	48	0.0	-73.17	403.31	0.55	-72.62
CC(CCNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988125	1	48	0.0	-71.93	397.77	0.28	-71.65
CC(CCNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988136	0	48	0.0	-79.11	407.94	0.69	-78.42
CC(CCNC(=O)C[NH+]1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988146	1	51	0.0	-74.35	422.82	1.14	-73.21
CC1=C(C)[NH+]=C(CCC(=O)NCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024988159	1	52	0.0	-70.17	442.22	0.76	-69.41
CC(CCNC(=O)CSCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988176	0	51	0.0	-81.20	438.87	1.41	-79.79
CC(CCNC(=O)C[N@@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988198	0	52	0.0	-73.77	424.98	-1.97	-75.74
CC(CCNC(=O)C[N@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988198	1	52	0.0	-73.45	426.82	-1.98	-75.43
CC[NH+](CC)CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988202	0	50	0.0	-72.43	403.56	0.56	-71.87
CC(CCNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988212	1	45	0.0	-74.37	382.08	-0.10	-74.47
CC[NH+](CC)CCC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988250	0	53	0.0	-75.21	429.93	1.40	-73.81
CC(CCNC(=O)C1=CC(C[NH+](C)C)=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988304	0	52	0.0	-80.39	438.35	0.75	-79.64
CC(CCNC(=O)C1CC2COCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988324	0	53	0.0	-76.68	430.65	-0.16	-76.84
CC(CCNC(=O)C1CC2COCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988324	1	53	0.0	-76.70	430.71	-0.20	-76.90
CC(CCNC(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988334	1	48	0.0	-72.74	401.98	0.41	-72.33
CCC(CC(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024988339	0	56	0.0	-67.88	447.21	2.09	-65.79
CC(CCNC(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988347	0	53	0.0	-69.41	419.51	1.17	-68.24
CC(CCNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988397	0	51	0.0	-70.61	413.94	1.06	-69.55
CC(CCNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988397	1	51	0.0	-71.38	404.62	0.90	-70.48
CC(CCNC(=O)C1C[N@@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988409	0	54	0.0	-81.21	423.36	-1.65	-82.86
CC(CCNC(=O)C1C[N@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988409	1	54	0.0	-81.61	423.33	-1.63	-83.24
CC(CCNC(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988429	0	51	0.0	-79.93	424.68	-1.52	-81.45
CC(CCNC(=O)C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988431	0	55	0.0	-74.31	414.90	2.03	-72.28
C=CCC(C(=O)NCCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024988459	0	51	0.0	-70.25	415.65	0.95	-69.30
CC(CCNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988465	0	55	0.0	-76.20	439.52	2.23	-73.97
CC(CCNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988465	1	55	0.0	-76.43	439.48	2.23	-74.20
CC(CCNC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988476	0	54	0.0	-73.59	429.23	1.55	-72.04
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC(N)=[NH2+]	REAL300024988501	0	42	0.0	-71.38	380.50	-3.66	-75.04
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC([NH+](C)C)CC1	REAL300024988537	0	57	0.0	-73.10	450.79	2.30	-70.80
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300024988538	0	54	0.0	-75.68	447.33	1.99	-73.69
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024988539	0	57	0.0	-62.44	444.28	2.16	-60.28
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@@H+]1C	REAL300024988540	0	52	0.0	-72.64	423.20	1.54	-71.10
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@H+]1C	REAL300024988540	1	52	0.0	-72.64	423.20	1.54	-71.10
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300024988561	0	54	0.0	-67.50	447.64	1.21	-66.29
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300024988584	0	55	0.0	-69.03	410.13	1.76	-67.27
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CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+]2CCCC2)CCC1	REAL300024988676	0	55	0.0	-63.63	434.06	2.19	-61.44
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024988683	1	48	0.0	-65.42	397.68	0.43	-64.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+]1CCC(F)C1	REAL300024988690	1	51	0.0	-75.31	426.18	1.29	-74.02
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCCC1	REAL300024988704	0	57	0.0	-72.13	445.99	2.10	-70.03
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCC1	REAL300024988706	0	51	0.0	-68.26	414.08	1.37	-66.89
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300024988714	0	51	0.0	-70.74	412.14	0.60	-70.14
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300024988714	1	51	0.0	-72.84	415.07	0.75	-72.09
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@@H+]1C	REAL300024988716	0	57	0.0	-68.64	453.37	2.40	-66.24
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@H+]1C	REAL300024988716	1	57	0.0	-68.86	453.05	2.39	-66.47
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]2CCOCC12	REAL300024988737	0	53	0.0	-69.37	428.98	-0.38	-69.75
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]2CCOCC12	REAL300024988737	1	53	0.0	-66.66	427.12	-0.22	-66.88
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCCN1C	REAL300024988753	0	52	0.0	-67.82	415.10	-0.85	-68.67
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@@H+]1C	REAL300024988753	1	52	0.0	-67.83	415.10	-0.85	-68.68
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@H+]1C	REAL300024988753	1	52	0.0	-67.82	415.10	-0.85	-68.67
CC1=C(C)[NH+]=C(CCC(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024988760	1	52	0.0	-65.10	442.21	0.76	-64.34
CCOCC(N=[N+]=[N-])C(=O)NC(C)CCNC(=O)CSC1=NC(=O)NN1	REAL300024988764	0	48	0.0	-25.07	425.16	-4.23	-29.30
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSCC[NH+](C)C	REAL300024988828	0	51	0.0	-75.90	438.87	1.41	-74.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300024988834	0	53	0.0	-71.06	430.78	-0.21	-71.27
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@H+]2C1	REAL300024988834	1	53	0.0	-68.03	430.38	-0.18	-68.21
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300024988995	0	48	0.0	-68.60	393.40	1.61	-66.99
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300024988995	1	48	0.0	-72.64	384.90	1.12	-71.52
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CCO1	REAL300024989019	0	49	0.0	-83.02	399.74	0.89	-82.13
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300024989019	1	49	0.0	-70.62	396.50	0.89	-69.73
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300024989019	1	49	0.0	-83.02	399.74	0.89	-82.13
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1CCCCCC1	REAL300024989174	0	57	0.0	-69.41	435.53	3.31	-66.10
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C(C)C	REAL300024989176	0	57	0.0	-65.56	429.56	2.79	-62.77
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C(C)C	REAL300024989176	1	57	0.0	-65.71	429.34	2.81	-62.90
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C(C)C	REAL300024989194	0	54	0.0	-68.07	418.20	2.82	-65.25
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C(C)C	REAL300024989194	1	54	0.0	-66.73	425.70	2.55	-64.18
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024989209	0	55	0.0	-70.41	432.66	3.26	-67.15
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024989209	1	55	0.0	-68.89	433.10	3.34	-65.55
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=C[NH+]=C1C(C)C	REAL300024989226	1	52	0.0	-66.34	434.42	3.46	-62.88
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=C[NH+]=C1C	REAL300024989249	1	46	0.0	-68.89	394.18	2.20	-66.69
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCCC1	REAL300024989263	0	57	0.0	-73.15	453.83	3.95	-69.20
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300024989276	0	57	0.0	-69.05	421.24	2.92	-66.13
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCC1CC2	REAL300024989284	0	52	0.0	-80.76	402.65	2.11	-78.65
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300024989317	0	55	0.0	-64.75	430.14	3.32	-61.43
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC2CCC[N@H+]21	REAL300024989317	1	55	0.0	-63.94	430.57	3.34	-60.60
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300024989327	0	51	0.0	-75.13	396.90	1.45	-73.68
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300024989327	1	51	0.0	-72.72	406.71	1.85	-70.87
CC[C@@H]1[C@@H](C(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024989331	0	54	0.0	-74.18	423.33	2.27	-71.91
CC[C@@H]1[C@@H](C(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024989331	1	54	0.0	-70.45	423.29	2.58	-67.87
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](CC)CCO1	REAL300024989340	1	52	0.0	-80.87	417.71	1.57	-79.30
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](CC)CCO1	REAL300024989340	1	52	0.0	-81.27	417.54	1.53	-79.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)C[NH+](CC)CC	REAL300024989377	0	53	0.0	-71.46	427.95	2.64	-68.82
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1C(C)CCC1C	REAL300024989433	0	54	0.0	-67.03	425.94	2.61	-64.42
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCC1	REAL300024989437	0	54	0.0	-72.95	438.62	3.29	-69.66
C#CC[NH+]1CCC(C(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024989441	0	53	0.0	-77.03	433.50	3.32	-73.71
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCC1	REAL300024989442	0	54	0.0	-72.84	432.33	3.15	-69.69
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1CC	REAL300024989446	0	54	0.0	-68.63	417.03	2.36	-66.27
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1CC	REAL300024989446	1	54	0.0	-65.65	425.10	2.84	-62.81
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+](CC(C)C)C1	REAL300024989458	0	57	0.0	-70.23	445.51	3.34	-66.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+](CC(C)C)C1	REAL300024989458	1	57	0.0	-72.53	454.34	3.69	-68.84
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300024989461	0	51	0.0	-67.78	386.23	1.44	-66.34
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCC[N@@H+]1C(C)C	REAL300024989463	0	57	0.0	-67.05	435.37	2.76	-64.29
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCC[N@H+]1C(C)C	REAL300024989463	1	57	0.0	-63.47	439.72	2.92	-60.55
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C(C)C)[NH+](C)C	REAL300024989473	0	53	0.0	-68.42	409.10	2.02	-66.40
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300024989508	0	51	0.0	-69.24	414.90	2.68	-66.56
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300024989508	1	51	0.0	-69.85	410.97	2.58	-67.27
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1C(C)CCC1C	REAL300024989549	0	57	0.0	-66.35	434.99	2.95	-63.40
C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024989599	1	50	0.0	-67.05	415.23	2.48	-64.57
C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024989599	1	50	0.0	-69.53	416.76	2.71	-66.82
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL300024989604	0	54	0.0	-71.81	426.70	2.66	-69.15
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL300024989604	1	54	0.0	-74.84	436.13	3.25	-71.59
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+](CCC1)C2	REAL300024989611	0	55	0.0	-72.72	413.46	2.34	-70.38
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300024989614	0	55	0.0	-66.32	432.54	3.50	-62.82
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCCC[N@H+]21	REAL300024989614	1	55	0.0	-67.84	430.37	3.23	-64.61
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+]1CCCC1	REAL300024989628	0	57	0.0	-73.67	460.11	4.07	-69.60
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024989637	0	51	0.0	-76.58	410.07	2.19	-74.39
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300024989663	1	50	0.0	-80.07	423.46	2.12	-77.95
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024989685	0	51	0.0	-67.42	407.01	2.18	-65.24
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024989685	1	51	0.0	-71.66	397.42	1.77	-69.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1CC(C)C	REAL300024989702	0	57	0.0	-64.72	447.89	3.56	-61.16
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1CC(C)C	REAL300024989702	1	57	0.0	-69.03	447.62	3.38	-65.65
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300024989783	0	46	0.0	-73.86	404.40	4.09	-69.77
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCN1C=C[NH+]=C1C	REAL300024989789	1	52	0.0	-69.63	439.75	3.66	-65.97
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCOCC1	REAL300024989793	1	52	0.0	-76.70	420.03	0.66	-76.04
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=[NH+]C=C1C	REAL300024989815	1	46	0.0	-69.68	397.50	3.02	-66.66
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+]1CCC2	REAL300024989846	0	52	0.0	-72.05	395.61	1.85	-70.20
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC([NH+](C)C)C1	REAL300024989865	0	57	0.0	-65.57	434.88	3.15	-62.42
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300024989867	0	51	0.0	-73.64	414.95	2.36	-71.28
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300024989867	1	51	0.0	-73.88	415.77	2.34	-71.54
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[NH+]=CC=C1N(C)C	REAL300024989877	0	50	0.0	-77.01	423.70	0.53	-76.48
CCC(C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024989881	0	50	0.0	-67.50	392.41	1.49	-66.01
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1([NH+](C)C)CCCC1	REAL300024989889	0	57	0.0	-75.11	432.58	3.19	-71.92
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300024989919	1	46	0.0	-78.21	393.89	3.83	-74.38
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300024989962	0	53	0.0	-75.63	430.12	2.77	-72.86
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C(C)C)[NH+](C)C	REAL300024989978	0	53	0.0	-67.64	405.19	1.99	-65.65
CCC[N@H+](C)CCC(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024989980	0	53	0.0	-74.24	430.38	2.72	-71.52
CCC[N@@H+](C)CCC(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024989980	1	53	0.0	-75.03	426.34	2.60	-72.43
CCC[N@H+](C)CC(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024989985	0	50	0.0	-70.98	408.01	2.12	-68.86
CCC[N@@H+](C)CC(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024989985	1	50	0.0	-70.98	408.01	2.12	-68.86
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@H+](C1)CCC2	REAL300024990005	0	52	0.0	-80.30	398.00	1.45	-78.85
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300024990005	1	52	0.0	-75.03	396.79	1.42	-73.61
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300024990035	0	48	0.0	-68.60	393.38	1.60	-67.00
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300024990035	1	48	0.0	-71.03	387.76	1.21	-69.82
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](CC)CC	REAL300024990088	0	50	0.0	-70.53	400.97	1.96	-68.57
CCC[N@@H+]1CCCC(C(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024990119	0	57	0.0	-64.61	440.40	3.76	-60.85
CCC[N@H+]1CCCC(C(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024990119	1	57	0.0	-71.39	447.96	3.52	-67.87
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(C)CC1	REAL300024990158	0	54	0.0	-72.27	427.54	3.07	-69.20
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300024990190	0	51	0.0	-69.91	411.29	2.10	-67.81
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C(C)C)CC1	REAL300024990249	0	57	0.0	-71.52	441.30	3.13	-68.39
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300024990264	0	51	0.0	-76.58	410.07	2.19	-74.39
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H](C(C)C)[NH+](C)C	REAL300024990282	0	53	0.0	-71.11	415.12	2.61	-68.50
CCC(C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024990312	0	56	0.0	-62.90	425.29	2.76	-60.14
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CC	REAL300024990359	0	50	0.0	-74.21	404.85	1.85	-72.36
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CC	REAL300024990359	1	50	0.0	-73.37	408.88	1.99	-71.38
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCCC1C	REAL300024990405	0	51	0.0	-67.61	407.52	2.10	-65.51
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCCC1C	REAL300024990405	1	51	0.0	-68.96	410.09	2.38	-66.58
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)C1	REAL300024990407	0	51	0.0	-70.07	414.17	2.40	-67.67
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)C1	REAL300024990407	1	51	0.0	-70.43	414.13	2.47	-67.96
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024990411	0	54	0.0	-70.09	433.77	2.97	-67.12
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300024990411	1	54	0.0	-70.39	434.27	2.95	-67.44
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300024990412	0	56	0.0	-70.59	438.56	3.26	-67.33
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300024990412	1	56	0.0	-71.11	436.62	3.11	-68.00
CC[C@@H](C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024990420	0	50	0.0	-68.73	396.25	1.68	-67.05
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024990561	0	44	0.0	-72.41	364.75	0.59	-71.82
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCCC1	REAL300024990565	0	54	0.0	-71.54	415.83	2.65	-68.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024990569	0	46	0.0	-68.97	400.01	4.23	-64.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300024990575	0	51	0.0	-64.43	402.88	2.36	-62.07
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300024990575	1	51	0.0	-72.59	403.36	1.82	-70.77
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300024990580	0	52	0.0	-67.00	419.99	2.91	-64.09
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C1CC1	REAL300024990580	1	52	0.0	-65.50	419.97	2.83	-62.67
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1CCC1	REAL300024990603	0	48	0.0	-68.77	389.23	1.19	-67.58
CCC(CC(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024990607	0	56	0.0	-75.69	436.09	3.09	-72.60
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300024990614	0	53	0.0	-67.66	396.64	1.65	-66.01
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024990628	0	53	0.0	-69.76	414.31	2.82	-66.94
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024990628	1	53	0.0	-72.73	415.76	2.94	-69.79
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(O)CC1	REAL300024990636	1	52	0.0	-75.67	421.59	-0.76	-76.43
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024990637	0	48	0.0	-67.93	398.05	2.13	-65.80
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024990637	1	48	0.0	-68.17	398.05	2.13	-66.04
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)N1CC[NH+](C)CC1	REAL300024990638	1	56	0.0	-74.60	441.73	0.52	-74.08
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024990656	0	48	0.0	-73.43	400.22	1.57	-71.86
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300024990660	0	55	0.0	-70.05	431.81	3.17	-66.88
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300024990660	1	55	0.0	-71.13	437.82	3.39	-67.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024990668	0	54	0.0	-68.24	407.28	1.99	-66.25
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300024990668	1	54	0.0	-67.21	415.74	1.54	-65.67
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL300024990679	0	47	0.0	-69.06	382.65	0.98	-68.08
CCN(CCNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024990686	0	38	0.0	-24.65	341.71	-3.81	-28.46
CCC1CCC[N@H+](CC(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024990710	0	57	0.0	-72.27	438.71	3.67	-68.60
CCC1CCC[N@@H+](CC(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024990710	1	57	0.0	-71.17	449.78	3.82	-67.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024990717	0	52	0.0	-84.72	427.75	2.69	-82.03
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=CSC1=[NH2+]	REAL300024990758	0	44	0.0	-68.60	391.82	0.77	-67.83
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300024990768	0	51	0.0	-73.52	419.23	-1.25	-74.77
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300024990768	1	51	0.0	-73.29	415.19	-1.38	-74.67
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL300024990769	0	47	0.0	-69.06	382.65	0.98	-68.08
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024990773	0	51	0.0	-63.92	403.95	2.05	-61.87
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300024990773	1	51	0.0	-71.63	397.07	1.75	-69.88
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+]2CCN1CC2C	REAL300024990781	0	54	0.0	-75.96	414.53	-0.94	-76.90
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+]2CCN1CC2C	REAL300024990781	1	54	0.0	-73.33	418.07	-0.67	-74.00
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024990841	1	45	0.0	-71.31	378.88	1.13	-70.18
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024990864	0	49	0.0	-75.95	408.66	2.34	-73.61
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024990864	1	49	0.0	-75.87	407.69	2.36	-73.51
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300024990894	0	51	0.0	-73.45	420.62	1.72	-71.73
C=CCC(C)(C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024990913	0	54	0.0	-65.46	405.51	2.01	-63.45
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)CC[S+](C)C	REAL300024990917	0	50	0.0	-80.33	426.63	0.07	-80.26
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300024990942	0	52	0.0	-68.98	402.98	-2.30	-71.28
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300024990951	0	56	0.0	-72.63	434.91	0.01	-72.62
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300024990951	1	56	0.0	-72.63	434.91	0.01	-72.62
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC(C)C1	REAL300024990968	0	48	0.0	-71.94	396.02	1.68	-70.26
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)C1	REAL300024990968	1	48	0.0	-71.94	396.02	1.68	-70.26
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN(C)CCO	REAL300024990990	0	48	0.0	-72.09	392.83	-1.98	-74.07
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300024990990	1	48	0.0	-71.29	396.64	-1.86	-73.15
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300024990990	1	48	0.0	-71.29	396.64	-1.86	-73.15
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300024991009	0	54	0.0	-75.67	413.99	-0.11	-75.78
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300024991009	1	54	0.0	-75.67	413.99	-0.11	-75.78
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](CC)C1	REAL300024991014	0	54	0.0	-71.10	424.84	2.72	-68.38
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](CC)C1	REAL300024991014	1	54	0.0	-71.10	424.84	2.72	-68.38
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(C)C[NH+](C)C	REAL300024991016	0	53	0.0	-75.11	421.94	2.64	-72.47
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CC	REAL300024991023	0	47	0.0	-70.81	386.51	1.39	-69.42
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300024991042	0	55	0.0	-66.22	410.00	1.87	-64.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@H+]1CCCC2	REAL300024991042	1	55	0.0	-66.22	410.00	1.87	-64.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300024991047	0	53	0.0	-66.09	405.88	2.35	-63.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300024991047	1	53	0.0	-66.09	405.88	2.35	-63.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](CC)C1CC1	REAL300024991066	0	51	0.0	-67.20	414.02	2.52	-64.68
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+](CC)CC	REAL300024991078	0	53	0.0	-73.80	418.36	2.28	-71.52
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC(C)(C)C1	REAL300024991097	0	51	0.0	-71.44	419.39	2.33	-69.11
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024991097	1	51	0.0	-71.44	419.39	2.33	-69.11
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024991119	0	52	0.0	-69.72	424.81	-0.86	-70.58
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024991126	0	48	0.0	-76.77	403.00	1.94	-74.83
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)OCC[NH+](C)C	REAL300024991143	0	54	0.0	-73.51	437.73	2.20	-71.31
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCOCC[NH+](C)C	REAL300024991150	0	54	0.0	-72.94	441.58	1.42	-71.52
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCOC	REAL300024991151	1	51	0.0	-72.29	415.08	0.43	-71.86
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCOC	REAL300024991151	1	51	0.0	-70.97	418.90	0.54	-70.43
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCCC1	REAL300024991175	0	54	0.0	-72.77	407.03	2.05	-70.72
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC(C)[NH+](C)C	REAL300024991178	0	53	0.0	-73.02	422.11	2.39	-70.63
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1CC	REAL300024991184	1	48	0.0	-68.97	389.38	1.27	-67.70
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1CC	REAL300024991184	1	48	0.0	-68.99	394.40	1.49	-67.50
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C(C)C)C1	REAL300024991192	0	57	0.0	-70.20	443.91	3.33	-66.87
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C(C)C)C1	REAL300024991192	1	57	0.0	-70.78	444.52	3.33	-67.45
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCCC1CO	REAL300024991203	0	52	0.0	-69.27	410.59	-0.86	-70.13
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCCC1CO	REAL300024991203	1	52	0.0	-68.15	414.65	-0.74	-68.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300024991223	0	55	0.0	-70.41	432.66	3.26	-67.15
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300024991223	1	55	0.0	-68.89	433.10	3.34	-65.55
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC[NH+](C)CC1	REAL300024991229	0	54	0.0	-68.21	412.03	2.17	-66.04
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300024991235	0	52	0.0	-77.68	428.59	2.64	-75.04
C=CCC(C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024991254	0	51	0.0	-66.71	405.91	1.97	-64.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300024991263	0	54	0.0	-68.31	428.22	2.62	-65.69
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300024991263	1	54	0.0	-67.59	429.51	2.58	-65.01
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCCC[NH+](C)C	REAL300024991266	0	56	0.0	-75.00	451.61	3.55	-71.45
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300024991273	0	49	0.0	-71.02	404.11	2.59	-68.43
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300024991296	0	54	0.0	-73.13	407.41	1.66	-71.47
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+]2CCN1C(C)C2	REAL300024991296	1	54	0.0	-75.95	417.94	-0.62	-76.57
CCCC(C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024991297	0	53	0.0	-68.14	413.92	2.27	-65.87
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300024991301	0	50	0.0	-65.90	377.88	1.00	-64.90
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300024991334	0	51	0.0	-67.42	407.01	2.18	-65.24
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300024991334	1	51	0.0	-71.66	397.42	1.77	-69.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@H+](C)CC1	REAL300024991365	0	52	0.0	-70.98	427.93	3.08	-67.90
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300024991365	1	52	0.0	-69.01	427.96	3.08	-65.93
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300024991373	0	55	0.0	-68.83	433.88	3.52	-65.31
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024991410	1	51	0.0	-81.79	428.71	2.58	-79.21
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300024991424	0	52	0.0	-74.98	430.36	3.09	-71.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300024991442	0	55	0.0	-73.84	438.06	3.58	-70.26
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300024991459	0	48	0.0	-72.08	388.81	1.03	-71.05
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300024991461	0	51	0.0	-72.91	417.11	2.48	-70.43
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCN1CC2	REAL300024991493	0	51	0.0	-78.17	398.14	-1.45	-79.62
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300024991501	0	49	0.0	-70.86	393.16	1.66	-69.20
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C	REAL300024991501	1	49	0.0	-72.42	385.15	1.84	-70.58
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300024991512	0	52	0.0	-69.50	408.66	2.49	-67.01
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2CCC1C2	REAL300024991512	1	52	0.0	-67.88	412.96	2.62	-65.26
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300024991548	0	53	0.0	-67.85	425.94	3.20	-64.65
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300024991558	1	50	0.0	-67.56	408.11	2.61	-64.95
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300024991558	1	50	0.0	-69.22	407.92	2.67	-66.55
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC[NH+](CC)CC1	REAL300024991584	0	56	0.0	-72.26	441.51	0.77	-71.49
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)C[NH+](C)C	REAL300024991598	0	50	0.0	-63.82	400.03	1.71	-62.11
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@@H+]1C	REAL300024991659	0	54	0.0	-67.08	416.52	2.70	-64.38
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@H+]1C	REAL300024991659	1	54	0.0	-74.28	427.86	2.93	-71.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)[NH+]1CC(C)C1	REAL300024991673	0	51	0.0	-69.33	415.55	2.19	-67.14
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC1C	REAL300024991675	1	48	0.0	-69.75	400.12	1.79	-67.96
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC1C	REAL300024991675	1	48	0.0	-70.28	400.09	1.79	-68.49
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(O)C[NH+](C)C	REAL300024991678	0	51	0.0	-77.76	417.24	-0.34	-78.10
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CC(C)O1	REAL300024991702	1	52	0.0	-82.36	414.41	1.66	-80.70
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CC(C)O1	REAL300024991702	1	52	0.0	-79.75	416.46	1.71	-78.04
CCC[N@@H+]1CCCCC1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024991711	0	57	0.0	-68.46	436.61	3.19	-65.27
CCC[N@H+]1CCCCC1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024991711	1	57	0.0	-67.46	448.17	3.66	-63.80
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024991767	0	51	0.0	-73.89	415.02	2.37	-71.52
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)CC[NH+](C)C	REAL300024991774	0	53	0.0	-71.68	423.61	2.31	-69.37
C#CC[N@H+]1CCCCC1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024991795	1	53	0.0	-68.66	420.96	2.86	-65.80
C#CC[N@@H+]1CCCCC1C(=O)N(CC)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024991795	1	53	0.0	-66.45	432.62	3.37	-63.08
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC[NH+](C)CC1	REAL300024991798	1	53	0.0	-71.54	428.30	0.24	-71.30
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC[NH+](CC)CC1	REAL300024991805	0	56	0.0	-72.26	441.51	0.77	-71.49
CCN(CCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024991975	0	48	0.0	-69.63	388.82	1.35	-68.28
CCN(CCNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024991975	1	48	0.0	-69.60	388.70	1.34	-68.26
CCN(CCNC(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992001	1	49	0.0	-85.78	402.13	1.12	-84.66
CCN(CCNC(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992001	1	49	0.0	-79.46	395.03	0.97	-78.49
CCN(CCNC(=O)CCCN1C=C[NH+]=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992158	1	52	0.0	-71.49	439.76	3.70	-67.79
CCN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992162	1	52	0.0	-76.76	424.05	0.79	-75.97
CCN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992180	0	52	0.0	-75.08	413.44	2.78	-72.30
CCN(CCNC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992188	1	46	0.0	-79.27	395.20	4.18	-75.09
CCN(CCNC(=O)C1CCCC([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992234	0	57	0.0	-68.06	437.07	3.33	-64.73
CCN(CCNC(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992236	0	51	0.0	-74.97	410.92	2.28	-72.69
CCN(CCNC(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992236	1	51	0.0	-76.84	415.32	2.38	-74.46
CCN(CCNC(=O)C1=C[NH+]=CC=C1N(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992246	0	50	0.0	-80.93	415.65	1.47	-79.46
CCC(C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024992250	0	50	0.0	-68.03	399.43	1.79	-66.24
CCN(CCNC(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992299	0	53	0.0	-76.17	434.15	2.92	-73.25
CCN(CCNC(=O)C(C(C)C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992317	0	53	0.0	-72.59	418.94	2.81	-69.78
CCC[N@H+](C)CCC(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992319	0	53	0.0	-75.22	426.35	2.62	-72.60
CCC[N@@H+](C)CCC(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992319	1	53	0.0	-75.08	430.38	2.74	-72.34
CCC[N@H+](C)CC(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992324	0	50	0.0	-72.08	408.01	2.20	-69.88
CCC[N@@H+](C)CC(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992324	1	50	0.0	-72.13	403.98	2.07	-70.06
CCN(CCNC(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992344	0	52	0.0	-80.65	406.69	1.90	-78.75
CCN(CCNC(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992344	1	52	0.0	-73.69	410.42	2.00	-71.69
CCN(CCNC(=O)C[NH+]1CCC(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992393	0	54	0.0	-72.41	431.74	3.28	-69.13
CCN(CCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992452	0	55	0.0	-76.43	436.19	3.47	-72.96
CCN(CCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992452	1	55	0.0	-71.87	432.26	3.42	-68.45
CCN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992461	0	51	0.0	-71.18	420.45	2.55	-68.63
CCN(CCNC(=O)C1CC[NH+](C(C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992470	0	57	0.0	-75.46	444.04	3.41	-72.05
CCN(CCNC(=O)CC[N@H+](C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992486	0	50	0.0	-74.29	408.89	2.01	-72.28
CCN(CCNC(=O)CC[N@@H+](C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992486	1	50	0.0	-74.46	404.85	1.89	-72.57
CCN(CCNC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992505	0	57	0.0	-72.51	434.13	3.64	-68.87
CCN(CCNC(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992513	0	52	0.0	-80.97	406.13	2.46	-78.51
CCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992572	0	51	0.0	-78.73	409.34	2.33	-76.40
CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992590	0	53	0.0	-71.56	413.49	2.88	-68.68
CCN(CCNC(=O)C(F)C[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992670	0	53	0.0	-71.50	428.05	2.52	-68.98
CCN(CCNC(=O)C1CC[N@H+](CC(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992696	0	57	0.0	-73.86	450.72	3.62	-70.24
CCN(CCNC(=O)C1CC[N@@H+](CC(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992696	1	57	0.0	-73.20	453.86	3.76	-69.44
CCN(CCNC(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992699	0	51	0.0	-77.32	395.60	2.21	-75.11
CCC(C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300024992729	0	56	0.0	-66.12	434.92	3.08	-63.04
CCN(CCNC(=O)C[N@@H+]1CCCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992745	0	51	0.0	-69.30	409.91	2.44	-66.86
CCN(CCNC(=O)C[N@H+]1CCCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992745	1	51	0.0	-68.53	407.49	2.18	-66.35
CCN(CCNC(=O)C(C)[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992790	0	57	0.0	-68.40	435.85	3.45	-64.95
CCN(CCNC(=O)C1CCCC[N@@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992792	0	57	0.0	-65.25	441.84	3.28	-61.97
CCN(CCNC(=O)C1CCCC[N@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992792	1	57	0.0	-67.01	437.85	3.16	-63.85
CCN(CCNC(=O)C1CCC[N@@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992810	0	54	0.0	-71.03	421.22	3.06	-67.97
CCN(CCNC(=O)C1CCC[N@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992810	1	54	0.0	-67.14	426.57	2.88	-64.26
CCN(CCNC(=O)CC1CCC[N@@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992816	0	57	0.0	-71.38	448.12	3.41	-67.97
CCN(CCNC(=O)CC1CCC[N@H+]1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992816	1	57	0.0	-67.05	437.73	2.85	-64.20
CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992826	0	53	0.0	-69.16	415.03	3.29	-65.87
CCN(CCNC(=O)C[N@@H+]1CCC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992844	0	51	0.0	-71.26	414.81	2.52	-68.74
CCN(CCNC(=O)C[N@H+]1CCC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992844	1	51	0.0	-71.46	410.62	2.42	-69.04
CCN(CCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992848	0	54	0.0	-71.38	434.35	3.04	-68.34
CCN(CCNC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992848	1	54	0.0	-71.73	430.32	2.92	-68.81
CCN(CCNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992849	0	56	0.0	-71.69	434.54	3.22	-68.47
CCN(CCNC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992849	1	56	0.0	-72.29	432.59	3.07	-69.22
CC[C@@H](C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024992857	0	50	0.0	-68.14	394.99	1.68	-66.46
CCN(CCNC(=O)CN1C=C[NH+]=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993016	1	46	0.0	-69.46	398.22	2.40	-67.06
CCN(CCNC(=O)CCC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993030	0	57	0.0	-74.45	449.80	3.86	-70.59
CCN(CCNC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993042	1	50	0.0	-81.40	422.85	1.63	-79.77
CCN(CCNC(=O)CN1C=C[NH+]=C1C(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993068	1	52	0.0	-67.97	430.42	3.39	-64.58
CCN(CCNC(=O)C1CCCC2CCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993094	0	55	0.0	-65.63	429.34	3.50	-62.13
CCN(CCNC(=O)C1CCCC2CCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993094	1	55	0.0	-65.73	433.30	3.62	-62.11
CCN(CCNC(=O)C1C[N@H+](CC)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993107	1	52	0.0	-83.91	419.91	1.76	-82.15
CCN(CCNC(=O)C1C[N@@H+](CC)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993107	1	52	0.0	-78.08	416.80	1.73	-76.35
CCN(CCNC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993145	0	46	0.0	-74.26	394.92	4.16	-70.10
CCN(CCNC(=O)CN1C=[NH+]C=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993149	1	46	0.0	-71.16	393.47	2.96	-68.20
CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993158	0	51	0.0	-75.61	405.36	1.75	-73.86
CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993158	1	51	0.0	-72.36	410.85	2.28	-70.08
CC[C@@H]1[C@@H](C(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300024993162	0	54	0.0	-75.33	425.49	2.49	-72.84
CC[C@@H]1[C@@H](C(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300024993162	1	54	0.0	-73.27	425.77	2.88	-70.39
CCN(CCNC(=O)C[NH+]1C(C)CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993172	0	54	0.0	-68.13	421.78	2.54	-65.59
CCN(CCNC(=O)CCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993176	0	54	0.0	-74.17	434.59	3.20	-70.97
C#CC[NH+]1CCC(C(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024993181	0	53	0.0	-78.37	434.53	3.54	-74.83
CCN(CCNC(=O)CC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993182	0	54	0.0	-73.80	428.31	3.07	-70.73
CCN(CCNC(=O)C1CCCC[N@@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993187	0	54	0.0	-67.96	415.09	2.75	-65.21
CCN(CCNC(=O)C1CCCC[N@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993187	1	54	0.0	-67.87	419.14	2.88	-64.99
CCN(CCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993219	0	57	0.0	-76.36	428.59	3.09	-73.27
CCN(CCNC(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993330	0	51	0.0	-70.01	410.88	2.64	-67.37
CCN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993330	1	51	0.0	-70.07	415.00	2.77	-67.30
CCN(CCNC(=O)C(C)[NH+]1C(C)CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993347	0	57	0.0	-65.90	438.14	3.27	-62.63
CCN(CCNC(=O)CCCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993358	0	57	0.0	-75.08	456.09	3.98	-71.10
CCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993367	0	51	0.0	-78.73	409.34	2.33	-76.40
CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993401	0	48	0.0	-68.85	391.04	1.73	-67.12
CCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993401	1	48	0.0	-69.70	388.82	1.35	-68.35
C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993420	1	50	0.0	-70.72	415.45	2.57	-68.15
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993420	1	50	0.0	-69.09	421.32	3.07	-66.02
CCN(CCNC(=O)CCC1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993425	0	54	0.0	-72.99	430.73	2.82	-70.17
CCN(CCNC(=O)CCC1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993425	1	54	0.0	-75.36	436.17	3.28	-72.08
CCN(CCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993432	0	55	0.0	-73.58	422.14	2.87	-70.71
CCN(CCNC(=O)C1CCC2CCCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993435	0	55	0.0	-66.59	436.65	3.74	-62.85
CCN(CCNC(=O)C1CCC2CCCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993435	1	55	0.0	-69.74	425.54	3.13	-66.61
CCC[N@@H+]1CCCC(C(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024993494	0	57	0.0	-72.90	448.50	3.69	-69.21
CCC[N@H+]1CCCC(C(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024993494	1	57	0.0	-72.31	448.51	3.69	-68.62
CCN(CCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993527	0	51	0.0	-69.11	401.43	2.21	-66.90
CCN(CCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993527	1	51	0.0	-70.70	401.43	2.21	-68.49
CCN(CCNC(=O)C1CCC[N@@H+]1CC(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993545	0	57	0.0	-69.40	449.39	3.88	-65.52
CCN(CCNC(=O)C1CCC[N@H+]1CC(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993545	1	57	0.0	-70.02	439.18	3.93	-66.09
CCN(CCNC(=O)C1CC[N@H+](C)C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993596	0	51	0.0	-72.28	411.00	2.22	-70.06
CCN(CCNC(=O)C1CC[N@@H+](C)C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993596	1	51	0.0	-70.64	409.98	1.99	-68.65
CCN(CCNC(=O)CCC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993598	0	57	0.0	-71.91	449.82	3.70	-68.21
CCN(CCNC(=O)CCC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993598	1	57	0.0	-72.45	450.14	3.72	-68.73
CCN(CCNC(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993675	0	54	0.0	-68.93	414.30	2.00	-66.93
CCN(CCNC(=O)C1CC[N@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993675	1	54	0.0	-70.99	413.27	2.33	-68.66
CCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993693	0	47	0.0	-69.77	382.65	1.07	-68.70
C=CCC(C)(C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024993707	0	54	0.0	-76.75	422.40	3.68	-73.07
CCN(CCNC(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993727	0	51	0.0	-73.88	413.08	2.39	-71.49
CCN(CCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993737	1	48	0.0	-72.36	396.87	-1.78	-74.14
CCN(CCNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993737	1	48	0.0	-72.90	396.65	-1.78	-74.68
CCN(CCNC(=O)C1C[N@@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993766	0	54	0.0	-77.47	409.52	-0.25	-77.72
CCN(CCNC(=O)C1C[N@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993766	1	54	0.0	-84.79	411.56	0.47	-84.32
CCN(CCNC(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993810	0	52	0.0	-72.25	423.90	2.99	-69.26
CCN(CCNC(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993810	1	52	0.0	-70.36	423.88	2.99	-67.37
CCN(CCNC(=O)C(O)CC[S+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993824	0	50	0.0	-80.45	433.63	0.45	-80.00
CCN(CCNC(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993842	0	52	0.0	-76.96	411.17	-1.17	-78.13
CCN(CCNC(=O)C1(C)CC(O)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993842	1	52	0.0	-78.85	414.04	-1.18	-80.03
CCN(CCNC(=O)C1CN(C)CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993851	0	56	0.0	-73.26	441.44	0.99	-72.27
CCN(CCNC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993851	1	56	0.0	-70.92	438.95	0.95	-69.97
CCN(CCNC(=O)C[NH+]1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993879	1	48	0.0	-72.33	396.03	1.76	-70.57
CCN(CCNC(=O)C1CCC[N@H+](CC)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993885	0	54	0.0	-71.66	426.98	2.94	-68.72
CCN(CCNC(=O)C1CCC[N@@H+](CC)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993885	1	54	0.0	-66.44	424.73	3.26	-63.18
CCN(CCNC(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993900	0	52	0.0	-72.18	421.24	2.79	-69.39
CCN(CCNC(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993900	1	52	0.0	-68.87	419.20	2.65	-66.22
CCN(CCNC(=O)C=CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993935	0	52	0.0	-76.12	425.31	2.94	-73.18
CCN(CCNC(=O)C1CC[NH+](C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993953	0	55	0.0	-74.43	434.21	3.53	-70.90
CCN(CCNC(=O)C[N@H+](C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993990	0	47	0.0	-71.96	382.49	1.33	-70.63
CCN(CCNC(=O)CN1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994033	0	50	0.0	-70.31	403.87	2.63	-67.68
CCN(CCNC(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994033	1	50	0.0	-67.85	407.87	2.66	-65.19
CCN(CCNC(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994033	1	50	0.0	-67.85	407.87	2.66	-65.19
CCN(CCNC(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994100	0	51	0.0	-82.15	401.03	-0.87	-83.02
CCN(CCNC(=O)C12CCC[N@@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994133	0	55	0.0	-67.00	424.28	3.33	-63.67
CCN(CCNC(=O)C12CCC[N@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994133	1	55	0.0	-67.00	424.28	3.33	-63.67
CCN(CCNC(=O)C12CCC[N@@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994139	0	53	0.0	-67.42	413.41	2.99	-64.43
CCN(CCNC(=O)C12CCC[N@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994139	1	53	0.0	-67.42	413.41	2.99	-64.43
CCN(CCNC(=O)C(C)OCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994148	0	54	0.0	-73.93	444.44	2.54	-71.39
CCN(CCNC(=O)CCOCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994156	0	54	0.0	-73.41	445.61	1.58	-71.83
CCN(CCNC(=O)C[N@H+](C)CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994158	1	51	0.0	-72.52	419.12	0.62	-71.90
CCN(CCNC(=O)C[N@@H+](C)CCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994158	1	51	0.0	-72.80	418.89	0.62	-72.18
CCN(CCNC(=O)C1C[NH+](C2CCOC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994159	0	53	0.0	-80.45	435.49	1.16	-79.29
CCN(CCNC(=O)CCC(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994163	0	53	0.0	-73.41	426.14	2.54	-70.87
CCN(CCNC(=O)C=C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994176	0	52	0.0	-74.76	422.32	3.07	-71.69
CCN(CCNC(=O)C[N@H+](CC)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994183	0	51	0.0	-69.64	411.12	2.69	-66.95
CCN(CCNC(=O)C[N@@H+](CC)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994183	1	51	0.0	-68.30	409.99	2.46	-65.84
CCN(CCNC(=O)C1C[N@@H+]2CCN1C(C)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994196	0	54	0.0	-81.95	421.76	-0.16	-82.11
CCN(CCNC(=O)C1C[N@H+]2CCN1C(C)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994196	1	54	0.0	-76.56	417.83	-0.34	-76.90
CCN(CCNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994216	0	49	0.0	-74.83	398.86	2.17	-72.66
CCN(CCNC(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994216	1	49	0.0	-76.50	396.80	1.86	-74.64
CCN(CCNC(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994229	0	52	0.0	-70.27	411.19	2.75	-67.52
CCN(CCNC(=O)C[N@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994229	1	52	0.0	-68.99	408.92	2.57	-66.42
CCN(CCNC(=O)C(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994248	0	50	0.0	-74.35	407.19	2.07	-72.28
CCN(CCNC(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994261	0	48	0.0	-77.84	391.22	2.49	-75.35
CCN(CCNC(=O)[C@@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994284	0	47	0.0	-71.54	382.90	1.08	-70.46
CCN(CCNC(=O)C1CC[N@@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994290	1	48	0.0	-71.40	396.39	1.69	-69.71
CCN(CCNC(=O)C1CC[N@H+]1CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994290	1	48	0.0	-69.64	389.56	1.39	-68.25
CCN(CCNC(=O)C1CCC[N@@H+](C(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994300	0	57	0.0	-66.14	437.40	3.66	-62.48
CCN(CCNC(=O)C1CCC[N@H+](C(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994300	1	57	0.0	-64.44	437.38	3.66	-60.78
CCN(CCNC(=O)C(C)[NH2+]C(C)(C)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994310	0	56	0.0	-71.20	434.21	1.42	-69.78
C#CC[N@H+]1CCCCC1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994347	1	53	0.0	-67.57	436.06	3.59	-63.98
C#CC[N@@H+]1CCCCC1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994347	1	53	0.0	-70.24	422.63	3.31	-66.93
CCN(CCNC(=O)C1=C[NH+]=CC=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994349	0	44	0.0	-74.45	372.88	-0.85	-75.30
CCCC(C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024994358	0	53	0.0	-68.84	420.69	2.56	-66.28
CCN(CCNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994365	0	50	0.0	-76.56	396.25	1.94	-74.62
CCN(CCNC(=O)C(C)CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994383	0	53	0.0	-74.83	428.83	2.67	-72.16
CCN(CCNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994435	0	53	0.0	-72.38	425.72	3.41	-68.97
CCN(CCNC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994435	1	53	0.0	-73.42	426.77	4.10	-69.32
CCN(CCNC(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994462	0	54	0.0	-68.81	425.14	2.27	-66.54
CCN(CCNC(=O)C1CC(C)(C)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994462	1	54	0.0	-68.69	434.78	2.92	-65.77
CCN(CCNC(=O)CCCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994465	0	56	0.0	-75.71	455.65	3.70	-72.01
CCC[N@@H+]1CCCCC1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994471	0	57	0.0	-67.36	446.05	3.65	-63.71
CCC[N@H+]1CCCCC1C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994471	1	57	0.0	-67.40	446.04	3.65	-63.75
CCN(CCNC(=O)CN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994480	1	53	0.0	-72.96	424.16	0.18	-72.78
CCN(CCNC(=O)C1C[N@H+](C)CC(C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994556	1	52	0.0	-79.80	420.23	1.83	-77.97
CCN(CCNC(=O)C1C[N@@H+](C)CC(C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994556	1	52	0.0	-83.55	420.14	1.54	-82.01
CCC1CCC[N@H+](CC(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024994583	0	57	0.0	-72.41	442.74	3.87	-68.54
CCC1CCC[N@@H+](CC(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024994583	1	57	0.0	-72.22	445.73	3.78	-68.44
CCN(CCNC(=O)C1=CC=C(C[NH+](C)C)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994591	0	52	0.0	-84.37	431.60	1.84	-82.53
CCN(CCNC(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994603	0	49	0.0	-72.28	400.10	2.54	-69.74
CCN(CCNC(=O)CC1([NH+]2CCCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994614	0	55	0.0	-70.69	428.74	3.33	-67.36
CCN(CCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994645	0	51	0.0	-69.11	401.43	2.21	-66.90
CCN(CCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994645	1	51	0.0	-70.70	401.43	2.21	-68.49
CCN(CCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994740	0	49	0.0	-77.01	407.64	2.33	-74.68
CCN(CCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994740	1	49	0.0	-76.83	403.60	2.21	-74.62
CCN(CCNC(=O)CNC1=CC=[NH+]C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994745	0	47	0.0	-73.36	400.47	-0.07	-73.43
CCN(CCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024994785	0	38	0.0	-24.62	345.74	-3.62	-28.24
CCN(CCNC(=O)CN1CC[NH+](CC)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994792	0	56	0.0	-71.83	441.51	0.85	-70.98
CCN(CCNC(=O)C=C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994795	0	53	0.0	-68.56	424.92	3.18	-65.38
CCN(CCNC(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994825	0	54	0.0	-76.40	419.91	2.99	-73.41
CCC1C[NH+](CC(=O)NCCN(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024994835	1	51	0.0	-72.97	417.41	2.52	-70.45
CCN(CCNC(=O)C1([NH+]2CCCC2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994838	0	55	0.0	-74.21	424.77	3.37	-70.84
CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994849	0	48	0.0	-69.71	384.76	1.22	-68.49
CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994849	1	48	0.0	-68.92	391.05	1.74	-67.18
CCN(CCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994970	0	51	0.0	-75.33	418.45	2.52	-72.81
CCN(CCNC(=O)C1CCC([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994981	0	57	0.0	-79.31	443.58	3.50	-75.81
CCN(CCNC(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994982	0	54	0.0	-81.35	443.20	3.29	-78.06
CCN(CCNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994983	0	57	0.0	-65.96	437.06	3.36	-62.60
CCN(CCNC(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994984	0	52	0.0	-75.76	420.00	2.84	-72.92
CCN(CCNC(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994984	1	52	0.0	-75.76	420.00	2.84	-72.92
CCN(CCNC(=O)COCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995034	0	51	0.0	-73.85	424.65	1.85	-72.00
CCN(CCNC(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024995071	0	44	0.0	-69.17	395.86	0.97	-68.20
CCN(CCNC(=O)[C@@H](C)OCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995135	0	54	0.0	-72.81	440.42	2.41	-70.40
CCN(CCNC(=O)CC[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995165	0	57	0.0	-75.38	442.81	3.41	-71.97
CCN(CCNC(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995168	0	51	0.0	-71.75	406.87	2.55	-69.20
CCN(CCNC(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995170	0	51	0.0	-73.36	409.32	2.28	-71.08
CCN(CCNC(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995170	1	51	0.0	-74.07	409.35	2.29	-71.78
CCN(CCNC(=O)C[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995171	0	54	0.0	-71.51	419.86	2.84	-68.67
CCN(CCNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995176	0	46	0.0	-70.81	395.99	4.17	-66.64
CCN(CCNC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995191	1	51	0.0	-82.17	429.33	2.48	-79.69
CCN(CCNC(=O)C[NH+]1CCC(O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995206	1	52	0.0	-76.87	417.57	-0.82	-77.69
CCN(CCNC(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995210	0	48	0.0	-69.60	394.16	2.07	-67.53
CCN(CCNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995210	1	48	0.0	-69.94	394.16	2.07	-67.87
CCN(CCNC(=O)C(C)N1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995212	1	56	0.0	-73.24	442.04	0.62	-72.62
CCN(CCNC(=O)CC[N@@H+]1CCC(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995214	0	51	0.0	-78.46	422.83	2.55	-75.91
CCN(CCNC(=O)CC[N@H+]1CCC(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995214	1	51	0.0	-76.02	419.35	2.48	-73.54
CCOCC(N=[N+]=[N-])C(=O)NCCN(CC)C(=O)CSC1=NC(=O)NN1	REAL300024995230	0	48	0.0	-23.70	421.96	-2.93	-26.63
CCN(CCNC(=O)CC(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995236	0	53	0.0	-79.18	425.93	2.76	-76.42
CCN(CCNC(=O)C1CC[N@@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995248	0	53	0.0	-68.88	423.88	1.10	-67.78
CCN(CCNC(=O)C1CC[N@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995248	1	53	0.0	-70.83	424.01	1.11	-69.72
CCN(CCNC(=O)CC1COCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995264	1	52	0.0	-66.64	411.91	0.46	-66.18
CCN(CCNC(=O)CC1COCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995264	1	52	0.0	-70.05	411.92	0.46	-69.59
CCN(CCNC(=O)CN1CC[NH+](CC)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995271	0	56	0.0	-71.83	441.51	0.85	-70.98
CCN(CCNC(=O)C[N@@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995355	0	52	0.0	-71.92	424.99	-0.81	-72.73
CCN(CCNC(=O)C[N@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995355	1	52	0.0	-71.89	425.03	-0.81	-72.70
CCN(CCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995385	0	48	0.0	-73.13	400.23	1.61	-71.52
CCN(CCNC(=O)C1CC[N@@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995389	0	55	0.0	-72.76	441.21	3.75	-69.01
CCN(CCNC(=O)C1CC[N@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995389	1	55	0.0	-72.06	439.46	3.58	-68.48
CCN(CCNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995397	0	44	0.0	-72.50	368.79	0.78	-71.72
CCN(CCNC(=O)CC[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995421	0	51	0.0	-74.60	415.20	-1.35	-75.95
CCN(CCNC(=O)CC[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995421	1	51	0.0	-73.42	419.21	-1.24	-74.66
CCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995422	0	47	0.0	-69.77	382.65	1.07	-68.70
CCN(CCNC(=O)CC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995439	0	54	0.0	-75.87	428.04	2.98	-72.89
CCN(CCNC(=O)CC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995439	1	54	0.0	-75.15	428.02	2.98	-72.17
CCN(CCNC(=O)C(C)[NH+]1CC(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995456	0	51	0.0	-71.69	415.10	2.33	-69.36
CCN(CCNC(=O)C[N@@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995458	1	48	0.0	-70.93	396.09	1.74	-69.19
CCN(CCNC(=O)C[N@H+]1CCC1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995458	1	48	0.0	-70.15	390.55	1.48	-68.67
CCN(CCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995469	0	48	0.0	-77.04	404.75	2.00	-75.04
CCN(CCNC(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995479	1	51	0.0	-72.29	415.60	2.33	-69.96
CCN(CCNC(=O)CCC1=[NH+]C(C)=C(C)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995492	1	52	0.0	-68.48	439.02	2.07	-66.41
CCN(CCNC(=O)CSCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995509	0	51	0.0	-79.44	435.68	2.72	-76.72
CCN(CCNC(=O)C[N@@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995531	0	52	0.0	-71.73	417.75	-0.78	-72.51
CCN(CCNC(=O)C[N@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995531	1	52	0.0	-71.12	423.62	-0.67	-71.79
CCN(CCNC(=O)C[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995535	0	50	0.0	-70.62	404.88	2.15	-68.47
CCN(CCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995545	1	45	0.0	-72.57	378.89	1.21	-71.36
CCN(CCNC(=O)CC[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995583	0	53	0.0	-73.27	426.73	2.70	-70.57
CCN(CCNC(=O)C1=CC(C[NH+](C)C)=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995637	0	52	0.0	-79.20	435.18	2.12	-77.08
CCN(CCNC(=O)C1CC2COCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995657	0	53	0.0	-70.99	427.20	1.17	-69.82
CCN(CCNC(=O)C1CC2COCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995657	1	53	0.0	-74.43	427.52	1.11	-73.32
CCN(CCNC(=O)C(C)[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995667	1	48	0.0	-71.43	398.79	1.72	-69.71
CCC(CC(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024995672	0	56	0.0	-68.77	444.02	3.40	-65.37
CCN(CCNC(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995680	0	53	0.0	-70.43	416.32	2.49	-67.94
CCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995730	0	51	0.0	-69.96	406.69	2.25	-67.71
CCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995730	1	51	0.0	-69.07	401.43	2.21	-66.86
CCN(CCNC(=O)C1C[N@@H+]2CCN1CC2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995742	0	54	0.0	-80.40	420.16	-0.34	-80.74
CCN(CCNC(=O)C1C[N@H+]2CCN1CC2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995742	1	54	0.0	-79.73	421.59	-0.21	-79.94
CCN(CCNC(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995762	0	51	0.0	-78.66	421.49	-0.21	-78.87
CCN(CCNC(=O)C1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995764	0	55	0.0	-70.49	411.72	3.33	-67.16
C=CCC(C(=O)NCCN(CC)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024995792	0	51	0.0	-67.38	412.45	2.27	-65.11
CCN(CCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995798	0	55	0.0	-76.43	436.19	3.47	-72.96
CCN(CCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995798	1	55	0.0	-71.87	432.26	3.42	-68.45
CCN(CCNC(=O)C1(C)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995809	0	54	0.0	-74.11	426.04	2.86	-71.25
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300024995834	0	42	0.0	-75.07	373.28	-2.46	-77.53
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC([NH+](C)C)CC1	REAL300024995870	0	57	0.0	-77.60	443.10	3.30	-74.30
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CC[NH+](C)C)CC1	REAL300024995871	0	54	0.0	-72.28	436.55	3.01	-69.27
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024995872	0	57	0.0	-63.95	436.64	3.18	-60.77
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@@H+]1C	REAL300024995873	0	52	0.0	-75.91	420.14	2.83	-73.08
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@H+]1C	REAL300024995873	1	52	0.0	-75.91	420.14	2.83	-73.08
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H](C)OCC[NH+](C)C	REAL300024995894	0	54	0.0	-66.85	437.04	2.20	-64.65
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300024995917	0	55	0.0	-66.07	415.86	2.51	-63.56
CCC1C[NH+](CC(=O)N(CC)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024996007	0	51	0.0	-71.89	421.45	2.56	-69.33
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300024996009	0	55	0.0	-66.08	417.69	2.73	-63.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300024996016	0	48	0.0	-69.36	385.50	1.15	-68.21
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300024996016	1	48	0.0	-69.54	393.37	1.56	-67.98
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+]1CCC(F)C1	REAL300024996023	1	51	0.0	-74.69	423.12	2.55	-72.14
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCCC1	REAL300024996037	0	57	0.0	-75.06	442.80	3.39	-71.67
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300024996039	0	51	0.0	-70.61	411.00	2.62	-67.99
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+](C)C1C	REAL300024996047	0	51	0.0	-69.77	407.43	1.83	-67.94
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+](C)C1C	REAL300024996047	1	51	0.0	-71.27	409.40	2.41	-68.86
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@@H+]1C	REAL300024996049	0	57	0.0	-74.98	442.73	3.50	-71.48
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@H+]1C	REAL300024996049	1	57	0.0	-76.55	442.75	3.49	-73.06
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300024996070	0	53	0.0	-76.11	423.07	0.84	-75.27
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]2CCOCC12	REAL300024996070	1	53	0.0	-68.04	421.32	1.00	-67.04
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCCN1C	REAL300024996086	0	52	0.0	-78.78	419.52	0.59	-78.19
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCC[N@@H+]1C	REAL300024996086	1	52	0.0	-70.40	407.88	0.30	-70.10
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCC[N@H+]1C	REAL300024996086	1	52	0.0	-78.78	419.52	0.59	-78.19
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=[NH+]C(C)=C(C)N1	REAL300024996093	1	52	0.0	-68.16	434.99	1.92	-66.24
CCOCC(N=[N+]=[N-])C(=O)N(CC)CCNC(=O)CSC1=NC(=O)NN1	REAL300024996097	0	48	0.0	-26.19	415.14	-3.29	-29.48
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSCC[NH+](C)C	REAL300024996161	0	51	0.0	-79.00	431.65	2.58	-76.42
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300024996167	0	53	0.0	-70.62	423.41	0.88	-69.74
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C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC([NH+](C)C)CC1	REAL300025000400	0	56	0.0	-68.65	443.87	-0.49	-69.14
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025000420	0	48	0.0	-69.75	400.07	0.54	-69.21
CC(CC[NH+](C)C)C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025000428	0	50	0.0	-69.49	410.57	0.70	-68.79
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300025000454	0	52	0.0	-67.17	420.78	-1.92	-69.09
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300025000454	1	52	0.0	-66.83	421.54	-1.99	-68.82
C#CC[N@H+]1CCCCC1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025000463	1	50	0.0	-65.62	408.39	1.43	-64.19
C#CC[N@@H+]1CCCCC1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025000463	1	50	0.0	-64.85	417.82	1.62	-63.23
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC[NH+](C)CC1	REAL300025000467	1	50	0.0	-68.36	409.94	-1.66	-70.02
CC[NH+]1CCN(CC(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025000477	0	53	0.0	-66.75	427.68	-0.98	-67.73
C[C@H](CNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000654	0	45	0.0	-66.06	370.56	-0.65	-66.71
C[C@H](CNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000654	1	45	0.0	-65.88	370.54	-0.65	-66.53
C[C@H](CNC(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000680	1	46	0.0	-73.67	387.92	-0.75	-74.42
C[C@H](CNC(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000680	1	46	0.0	-69.18	380.80	-0.90	-70.08
CC1=[NH+]C=CN1CCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000843	1	49	0.0	-65.41	421.50	1.71	-63.70
C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000851	0	51	0.0	-72.53	428.67	2.29	-70.24
C[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000852	1	49	0.0	-70.82	405.80	-1.18	-72.00
C[C@H](CNC(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000884	0	49	0.0	-63.92	395.12	0.79	-63.13
C[C@H](CNC(=O)C1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000899	1	43	0.0	-69.97	380.97	2.30	-67.67
C[C@H](CNC(=O)C1CCCC([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000965	0	54	0.0	-64.91	422.82	1.46	-63.45
C[C@H](CNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000968	0	48	0.0	-69.45	396.85	0.40	-69.05
C[C@H](CNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000968	1	48	0.0	-69.09	397.33	0.36	-68.73
C[C@H](CNC(=O)C1=C[NH+]=CC=C1N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000980	0	47	0.0	-69.53	401.56	-0.36	-69.89
CCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025000985	0	47	0.0	-64.73	380.77	-0.17	-64.90
C[C@H](CNC(=O)C1CCC2CC(C)C[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001035	0	55	0.0	-64.81	438.89	2.11	-62.70
C[C@H](CNC(=O)C1CCC2CC(C)C[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001035	1	55	0.0	-64.73	438.37	2.16	-62.57
C[C@H](CNC(=O)CCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001062	0	50	0.0	-69.53	415.89	0.94	-68.59
CC(C)C(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025001084	0	50	0.0	-65.30	400.16	0.87	-64.43
CCC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001086	0	50	0.0	-68.76	412.13	0.77	-67.99
CCC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001086	1	50	0.0	-68.81	412.13	0.75	-68.06
CCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001092	0	47	0.0	-67.23	389.76	0.22	-67.01
CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001092	1	47	0.0	-67.27	389.76	0.20	-67.07
C[C@H](CNC(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001119	0	49	0.0	-69.12	392.47	0.02	-69.10
C[C@H](CNC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001119	1	49	0.0	-67.59	392.18	0.00	-67.59
CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001160	0	56	0.0	-68.31	454.26	2.56	-65.75
CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001160	1	56	0.0	-68.25	454.26	2.56	-65.69
CC[NH+](CC)C(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025001166	0	56	0.0	-61.37	431.74	2.02	-59.35
C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001202	0	51	0.0	-67.05	413.49	1.30	-65.75
C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001236	0	52	0.0	-72.81	430.49	0.90	-71.91
C[C@H](CNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001298	0	52	0.0	-65.93	418.04	1.55	-64.38
C[C@H](CNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001298	1	52	0.0	-65.78	418.03	1.55	-64.23
C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001310	0	48	0.0	-66.90	401.99	0.54	-66.36
CC1=[NH+]C=C2CCC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)CN21	REAL300025001311	1	50	0.0	-61.61	418.15	1.54	-60.07
CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025001323	0	54	0.0	-67.11	425.78	1.42	-65.69
CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001350	0	47	0.0	-68.20	390.63	0.01	-68.19
CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001350	1	47	0.0	-68.25	390.63	0.03	-68.22
C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001379	0	54	0.0	-63.02	419.88	1.78	-61.24
C[C@H](CNC(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001393	0	49	0.0	-69.63	391.75	0.60	-69.03
C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001476	0	48	0.0	-69.64	395.11	0.46	-69.18
CC(C)[C@H](C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025001496	0	50	0.0	-65.19	399.65	0.99	-64.20
C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001569	0	55	0.0	-69.60	444.31	2.67	-66.93
CC[NH+](CC)CC(F)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001609	0	50	0.0	-67.54	413.85	0.81	-66.73
C[C@H](CNC(=O)C1=C(C[NH+](C)C)C=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001610	0	48	0.0	-62.98	415.66	1.42	-61.56
CC(C)C[N@@H+]1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025001648	0	54	0.0	-66.89	435.39	1.75	-65.14
CC(C)C[N@H+]1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025001648	1	54	0.0	-67.08	436.50	1.76	-65.32
C[C@H](CNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001652	0	48	0.0	-66.51	384.47	-0.01	-66.52
CCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025001686	0	53	0.0	-61.59	416.80	1.17	-60.42
C[C@H](CNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001709	0	48	0.0	-64.40	395.87	0.60	-63.80
C[C@H](CNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001709	1	48	0.0	-63.97	389.24	0.18	-63.79
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001787	1	52	0.0	-61.99	435.97	1.96	-60.03
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300025001794	0	54	0.0	-63.97	421.62	1.59	-62.38
CC(C)[N@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001796	0	54	0.0	-61.71	417.50	1.36	-60.35
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001796	1	54	0.0	-61.23	423.83	1.31	-59.92
CC(C)[N@H+]1CCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001822	0	51	0.0	-62.38	409.33	0.92	-61.46
CC(C)[N@@H+]1CCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001822	1	51	0.0	-63.75	403.33	1.08	-62.67
C[C@H](CNC(=O)C(CN1C=CC=N1)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001827	1	51	0.0	-66.13	423.52	0.05	-66.08
CC(C)[N@H+]1CCCC1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001832	0	54	0.0	-65.04	429.86	1.43	-63.61
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001832	1	54	0.0	-60.96	419.75	1.34	-59.62
C[C@H](CNC(=O)C1CCC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001833	0	55	0.0	-64.59	426.55	2.14	-62.45
C[C@H](CNC(=O)C1CCC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001833	1	55	0.0	-63.52	436.46	2.20	-61.32
CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025001849	0	50	0.0	-64.75	396.19	0.70	-64.05
C[C@H](CNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001872	0	48	0.0	-66.44	396.56	0.54	-65.90
C[C@H](CNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001872	1	48	0.0	-66.34	396.09	0.53	-65.81
CC1=[NH+]C=C2CC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300025001874	1	50	0.0	-63.37	419.06	1.53	-61.84
C[C@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001877	0	51	0.0	-66.37	416.10	1.06	-65.31
C[C@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001877	1	51	0.0	-66.32	415.76	1.05	-65.27
C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001878	0	53	0.0	-66.58	420.16	1.31	-65.27
C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001878	1	53	0.0	-66.99	418.36	1.21	-65.78
CC[C@@H](C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025001889	0	47	0.0	-64.72	380.72	-0.17	-64.89
C[C@H](CNC(=O)CCN(C)C1=CC=[NH+]C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002036	0	50	0.0	-64.37	425.01	0.46	-63.91
CC1=[NH+]C=CN1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002136	1	43	0.0	-64.54	379.96	0.42	-64.12
CC(C[NH+]1CCOCC1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002138	0	52	0.0	-68.93	421.85	-0.48	-69.41
C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002157	0	54	0.0	-67.96	435.58	2.01	-65.95
C[C@H](CNC(=O)C1=NOC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002177	1	47	0.0	-76.01	409.65	-0.17	-76.18
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=CC2=C[NH+]=CN21	REAL300025002178	0	46	0.0	-66.93	394.62	2.66	-64.27
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002214	1	49	0.0	-62.96	416.18	1.53	-61.43
C[C@H](CNC(=O)C1CCCC2CCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002262	0	52	0.0	-60.82	414.95	1.64	-59.18
C[C@H](CNC(=O)C1CCCC2CCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002262	1	52	0.0	-60.78	415.04	1.64	-59.14
CC[N@@H+]1CCOC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025002294	1	49	0.0	-68.37	398.57	-0.27	-68.64
CC[N@H+]1CCOC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025002294	1	49	0.0	-68.02	398.57	-0.27	-68.29
C[C@H](CNC(=O)C1=CN2C=[NH+]C=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002355	0	43	0.0	-68.02	380.70	2.30	-65.72
CC1=C[NH+]=CN1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002360	1	43	0.0	-67.05	379.25	1.11	-65.94
C[C@H](CNC(=O)C1=CN(CC[NH+](C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002363	0	51	0.0	-75.58	434.85	0.29	-75.29
C[C@H](CNC(=O)C1=NN(CC[NH+](C)C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002373	0	51	0.0	-72.74	435.22	0.30	-72.44
C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002379	0	48	0.0	-67.68	388.09	0.02	-67.66
C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002379	1	48	0.0	-67.69	393.36	0.05	-67.64
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002382	1	52	0.0	-62.08	436.48	2.01	-60.07
CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025002385	0	51	0.0	-67.51	407.96	0.48	-67.03
CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025002385	1	51	0.0	-65.85	411.30	1.05	-64.80
C[C@H](CNC(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002402	0	51	0.0	-63.06	407.29	0.67	-62.39
C[C@H](CNC(=O)CCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002408	0	51	0.0	-67.89	420.36	1.34	-66.55
C[C@H](CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002409	0	51	0.0	-71.20	428.68	2.29	-68.91
C#CC[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025002416	0	50	0.0	-70.80	419.79	1.61	-69.19
C[C@H](CNC(=O)CC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002417	0	51	0.0	-67.80	414.08	1.21	-66.59
C[C@H](CNC(=O)C1=CC=CC=C1C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002422	0	51	0.0	-62.40	421.11	2.57	-59.83
CC[N@@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002428	0	51	0.0	-63.48	400.88	0.88	-62.60
CC[N@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002428	1	51	0.0	-62.83	410.31	1.02	-61.81
CC(C)C(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300025002429	0	57	0.0	-62.96	439.83	2.89	-60.07
C[C@H](CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002432	1	51	0.0	-65.48	425.19	2.30	-63.18
C[C@H](CNC(=O)CN1C=[NH+]C2=C1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002437	1	50	0.0	-65.89	422.12	2.88	-63.01
C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002476	0	57	0.0	-68.43	435.19	2.45	-65.98
C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002482	0	57	0.0	-68.66	448.94	2.40	-66.26
C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002482	1	57	0.0	-68.54	448.95	2.40	-66.14
C[C@H](CNC(=O)CC1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002483	0	54	0.0	-62.76	418.75	1.50	-61.26
C[C@H](CNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002677	0	48	0.0	-65.51	396.65	0.78	-64.73
C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002677	1	48	0.0	-65.35	396.75	0.79	-64.56
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300025002707	0	54	0.0	-61.19	421.22	1.15	-60.04
C[C@H](CNC(=O)CCCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002722	0	54	0.0	-68.22	441.86	2.12	-66.10
C[C@H](CNC(=O)C[N@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002724	1	51	0.0	-70.79	427.19	2.40	-68.39
C[C@H](CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002724	1	51	0.0	-70.87	427.19	2.40	-68.47
C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002738	0	48	0.0	-69.64	395.11	0.46	-69.18
C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002793	0	45	0.0	-64.27	375.62	-0.14	-64.41
C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002793	1	45	0.0	-65.87	370.49	-0.65	-66.52
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002817	1	47	0.0	-64.57	397.18	0.58	-63.99
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002817	1	47	0.0	-64.34	402.76	1.09	-63.25
C[C@H](CNC(=O)CCC1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002824	0	51	0.0	-67.19	412.47	0.83	-66.36
C[C@H](CNC(=O)CCC1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002824	1	51	0.0	-67.95	417.92	1.30	-66.65
C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002836	0	52	0.0	-68.05	407.92	1.00	-67.05
C[C@H](CNC(=O)C1CCC2CCCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002843	0	52	0.0	-63.06	411.41	1.28	-61.78
C[C@H](CNC(=O)C1CCC2CCCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002843	1	52	0.0	-62.88	411.22	1.29	-61.59
CCC[N@@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025002926	0	54	0.0	-66.46	434.26	1.83	-64.63
CCC[N@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025002926	1	54	0.0	-62.42	428.03	2.02	-60.40
CC(C)[N@H+]1CCOC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025002947	0	52	0.0	-70.30	422.46	0.41	-69.89
CC(C)[N@@H+]1CCOC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025002947	1	52	0.0	-70.21	422.46	0.43	-69.78
C[C@H](CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002982	0	48	0.0	-64.19	392.49	0.40	-63.79
C[C@H](CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002982	1	48	0.0	-64.09	392.50	0.40	-63.69
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003008	0	54	0.0	-63.36	434.24	1.98	-61.38
CC(C)C[N@H+]1CCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003008	1	54	0.0	-63.88	424.49	2.06	-61.82
C[C@H](CNC(=O)C[NH+]1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003026	1	52	0.0	-69.62	424.32	-2.01	-71.63
C[C@H](CNC(=O)C=C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003061	0	53	0.0	-67.80	423.58	1.74	-66.06
C[C@H](CNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003079	0	48	0.0	-65.94	391.70	0.02	-65.92
C[C@H](CNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003079	1	48	0.0	-69.25	387.27	-0.18	-69.43
C[C@H](CNC(=O)CCC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003081	0	54	0.0	-68.27	424.49	1.54	-66.73
C[C@H](CNC(=O)CCC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003081	1	54	0.0	-66.98	431.61	1.72	-65.26
C[C@H](CNC(=O)CCC(F)(F)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300025003175	0	44	0.0	-21.91	402.41	-3.22	-25.13
C[C@H](CNC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003192	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	REAL300025003192	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	REAL300025003213	0	44	0.0	-65.62	368.70	-0.79	-66.41
C[C@H](CNC(=O)C1=CC=NC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003232	1	50	0.0	-68.90	424.68	0.83	-68.07
C=CCC(C)(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025003236	0	51	0.0	-61.42	406.00	0.83	-60.59
C[C@H](CNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003266	0	48	0.0	-68.11	397.25	0.42	-67.69
C[C@H](CNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003276	1	45	0.0	-67.66	378.62	-3.76	-71.42
C[C@H](CNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003276	1	45	0.0	-67.18	378.40	-3.76	-70.94
C[C@H](CNC(=O)C1C[N@@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003319	0	51	0.0	-70.96	395.29	-2.11	-73.07
C[C@H](CNC(=O)C1C[N@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003319	1	51	0.0	-72.29	397.34	-1.40	-73.69
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300025003347	1	49	0.0	-67.65	405.91	0.65	-67.00
C[C@H](CNC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003390	0	49	0.0	-68.32	409.67	1.14	-67.18
C[C@H](CNC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003390	1	49	0.0	-67.24	409.66	1.14	-66.10
C[C@H](CNC(=O)C(O)CC[S+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003406	0	47	0.0	-68.72	415.38	-1.54	-70.26
C[C@H](CNC(=O)C1(C)CC(O)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003428	0	49	0.0	-68.94	398.42	-2.75	-71.69
C[C@H](CNC(=O)C1(C)CC(O)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003428	1	49	0.0	-67.55	398.90	-3.10	-70.65
C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003443	0	53	0.0	-66.68	423.19	-1.01	-67.69
C[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003443	1	53	0.0	-65.75	421.74	-1.44	-67.19
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(O)C1	REAL300025003444	0	52	0.0	-64.65	421.41	-2.30	-66.95
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCCC(O)C1	REAL300025003444	1	52	0.0	-64.45	421.41	-2.29	-66.74
C[C@H](CNC(=O)CC1(O)CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003483	0	52	0.0	-64.63	420.84	-0.85	-65.48
C[C@H](CNC(=O)CC1(O)CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003483	1	52	0.0	-66.43	417.98	-0.75	-67.18
C[C@H](CNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003489	1	45	0.0	-67.13	381.81	-0.11	-67.24
CC[N@@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025003496	0	51	0.0	-62.23	406.52	1.27	-60.96
CC[N@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025003496	1	51	0.0	-62.23	406.50	1.27	-60.96
C[C@H](CNC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003519	0	49	0.0	-61.71	407.27	1.22	-60.49
C[C@H](CNC(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003519	1	49	0.0	-64.00	401.05	0.64	-63.36
C[C@H](CNC(=O)C=CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003568	0	49	0.0	-69.28	411.09	1.08	-68.20
C[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003593	0	52	0.0	-67.13	419.95	1.66	-65.47
CC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003643	0	44	0.0	-66.84	368.26	-0.52	-67.36
C[C@H](CNC(=O)CN1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003708	0	47	0.0	-65.17	390.01	0.77	-64.40
C[C@H](CNC(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003708	1	47	0.0	-65.02	389.88	0.78	-64.24
C[C@H](CNC(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003708	1	47	0.0	-65.02	389.88	0.78	-64.24
CC1=CC=C(NCCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300025003732	0	50	0.0	-63.42	429.40	0.21	-63.21
CC1=CC=C(NCCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)[NH+]=C1	REAL300025003732	1	50	0.0	-63.42	429.40	0.21	-63.21
C[C@H](CNC(=O)C1C[NH+]2CCN1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003808	0	48	0.0	-71.00	386.85	-2.73	-73.73
C[C@H](CNC(=O)C12CCC[N@@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003858	0	52	0.0	-62.23	405.68	1.35	-60.88
C[C@H](CNC(=O)C12CCC[N@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003858	1	52	0.0	-62.23	405.68	1.35	-60.88
C[C@H](CNC(=O)C12CCC[N@@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003869	0	50	0.0	-64.27	396.56	1.70	-62.57
C[C@H](CNC(=O)C12CCC[N@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003869	1	50	0.0	-64.27	396.56	1.70	-62.57
CC(OCC[NH+](C)C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003880	0	51	0.0	-68.11	426.18	0.55	-67.56
C[C@H](CNC(=O)CCOCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003892	0	51	0.0	-67.22	427.35	-0.39	-67.61
COCCN(C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003894	0	48	0.0	-67.02	400.65	-1.37	-68.39
COCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003894	1	48	0.0	-67.56	400.87	-1.36	-68.92
COCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003894	1	48	0.0	-67.56	400.87	-1.36	-68.92
CC(CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025003901	0	50	0.0	-69.09	403.88	0.54	-68.55
CC[N@H+](CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025003934	0	48	0.0	-63.70	395.48	0.56	-63.14
C[C@H](CNC(=O)C1C[N@@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003951	0	51	0.0	-70.41	403.69	-2.21	-72.62
C[C@H](CNC(=O)C1C[N@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003951	1	51	0.0	-70.41	403.69	-2.21	-72.62
C[C@H](CNC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003982	0	46	0.0	-65.71	381.16	0.04	-65.67
CC1=NC(N)=CC=C1C=CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003992	0	48	0.0	-65.59	415.51	-0.54	-66.13
CC1=[NH+]C(N)=CC=C1C=CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003992	1	48	0.0	-65.59	415.51	-0.54	-66.13
C[C@H](CNC(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004000	0	49	0.0	-64.53	394.43	0.70	-63.83
C[C@H](CNC(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004000	1	49	0.0	-64.53	394.43	0.70	-63.83
CC(C)[NH+]1CCC(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025004014	0	57	0.0	-65.60	444.40	2.13	-63.47
CC(C[NH+](C)C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004028	0	47	0.0	-64.03	388.73	0.16	-63.87
CCN1CCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004084	0	45	0.0	-65.85	382.20	-0.23	-66.08
CC[N@@H+]1CCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004084	1	45	0.0	-65.74	382.17	-0.17	-65.91
CC[N@H+]1CCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004084	1	45	0.0	-65.74	382.17	-0.17	-65.91
CC(C)[N@@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025004098	0	54	0.0	-64.79	429.44	1.59	-63.20
CC(C)[N@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025004098	1	54	0.0	-64.79	429.44	1.59	-63.20
CCC(C)(C)[NH2+]C(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004117	0	53	0.0	-65.55	415.97	-0.58	-66.13
C#CC[N@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004169	1	50	0.0	-64.29	408.36	1.42	-62.87
C#CC[N@@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004169	1	50	0.0	-64.20	408.40	1.43	-62.77
C[C@H](CNC(=O)C1=C[NH+]=CC=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004173	0	41	0.0	-65.17	358.85	-2.73	-67.90
CCCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025004184	0	50	0.0	-66.20	405.79	1.17	-65.03
C[C@H](CNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004192	0	47	0.0	-66.18	377.99	-0.03	-66.21
CC(CC[NH+](C)C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004216	0	50	0.0	-68.77	410.58	0.68	-68.09
C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004270	0	55	0.0	-66.60	420.92	1.55	-65.05
C[C@H](CNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004270	1	55	0.0	-61.86	425.25	2.26	-59.60
C[C@H](CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004304	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	REAL300025004304	1	50	0.0	-63.06	407.66	2.09	-60.97
C[C@H](CNC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004353	0	51	0.0	-65.51	410.94	0.40	-65.11
C[C@H](CNC(=O)C1CC(C)(C)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004353	1	51	0.0	-65.41	410.41	0.51	-64.90
C[C@H](CNC(=O)CCCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004358	0	53	0.0	-69.48	437.39	1.72	-67.76
C[C@H](CNC(=O)CC[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004363	0	52	0.0	-71.72	425.62	-2.12	-73.84
CCC[N@@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004369	0	54	0.0	-63.71	422.38	1.62	-62.09
CCC[N@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004369	1	54	0.0	-63.12	431.82	1.80	-61.32
CC[NH+]1CCN(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025004378	0	56	0.0	-67.89	447.98	-0.69	-68.58
CCN1CC[NH+](CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025004378	1	56	0.0	-68.89	449.14	-0.54	-69.43
C[C@H](CNC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004381	1	50	0.0	-68.58	409.94	-1.67	-70.25
CC(C)C[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025004502	0	57	0.0	-68.86	451.61	2.55	-66.31
C[C@H](CNC(=O)C1C[N@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004505	1	49	0.0	-69.94	401.98	-0.16	-70.10
C[C@H](CNC(=O)C1C[N@@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004505	1	49	0.0	-69.49	402.01	-0.17	-69.66
CCC1CCC[N@H+](CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025004539	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	REAL300025004539	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	REAL300025004548	0	49	0.0	-70.47	417.12	0.23	-70.24
C[C@H](CNC(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004569	0	46	0.0	-66.96	385.86	0.69	-66.27
C[C@H](CNC(=O)CC1([NH+]2CCCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004587	0	52	0.0	-63.98	415.63	1.54	-62.44
C[C@H](CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004634	0	48	0.0	-64.19	392.49	0.40	-63.79
C[C@H](CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004634	1	48	0.0	-64.09	392.50	0.40	-63.69
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025004646	0	57	0.0	-62.56	445.46	2.70	-59.86
CC(C)C[N@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025004646	1	57	0.0	-62.44	445.46	2.70	-59.74
C[C@H](CNC(=O)CN1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004710	0	56	0.0	-68.98	443.86	-0.49	-69.47
C[C@H](CNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004780	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	REAL300025004780	1	46	0.0	-71.16	388.42	0.36	-70.80
C[C@H](CNC(=O)CNC1=CC=[NH+]C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004786	0	44	0.0	-66.28	386.25	-1.92	-68.20
C[C@H](CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300025004845	0	35	0.0	-23.18	327.50	-5.60	-28.78
CC[NH+]1CCN(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025004854	0	53	0.0	-67.19	427.29	-1.02	-68.21
C[C@H](CNC(=O)C=C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004857	0	50	0.0	-66.53	406.95	1.21	-65.32
C[C@H](CNC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004905	0	51	0.0	-66.55	401.99	1.08	-65.47
C[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004917	0	52	0.0	-65.40	421.31	-1.81	-67.21
C[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004917	1	52	0.0	-65.76	421.53	-1.99	-67.75
CCC1C[NH+](CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025004923	1	48	0.0	-67.78	403.19	0.65	-67.13
C[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004927	0	53	0.0	-71.29	434.24	-0.24	-71.53
C[C@H](CNC(=O)C1([NH+]2CCCC2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004929	0	52	0.0	-63.44	412.42	1.32	-62.12
C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004943	0	45	0.0	-66.02	370.53	-0.65	-66.67
C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004943	1	45	0.0	-64.39	376.33	-0.17	-64.56
CC[N@@H+]1CCOCC1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004982	0	52	0.0	-69.48	418.34	-0.71	-70.19
C[C@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005007	0	55	0.0	-68.73	442.80	2.11	-66.62
COC1C[N@@H+]2CCCC2(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005023	0	53	0.0	-63.90	428.56	-0.23	-64.13
COC1C[N@H+]2CCCC2(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005023	1	53	0.0	-63.90	428.56	-0.23	-64.13
C[C@H](CNC(=O)C1=CC=C2NC(N)=NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005089	0	45	0.0	-65.90	394.68	0.07	-65.83
C[C@H](CNC(=O)C1=CC=C2NC(N)=[NH+]C2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005089	1	45	0.0	-65.90	394.68	0.07	-65.83
C[C@H](CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005136	0	48	0.0	-68.15	400.26	0.53	-67.62
C[C@H](CNC(=O)C1(CC[NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005149	0	57	0.0	-65.86	445.55	2.49	-63.37
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300025006160	1	52	0.0	-67.62	421.42	-2.30	-69.92
C[C@H](CNC(=O)C1CC2COCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006167	0	50	0.0	-68.26	409.34	-0.88	-69.14
C[C@H](CNC(=O)C1CC2COCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006167	1	50	0.0	-66.67	408.99	-0.84	-67.51
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025006185	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	REAL300025006195	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	REAL300025006204	0	50	0.0	-67.01	400.37	0.54	-66.47
C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006275	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	REAL300025006275	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	REAL300025006292	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	REAL300025006292	1	51	0.0	-69.55	401.88	-2.31	-71.86
C[C@H](CNC(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006319	0	48	0.0	-71.66	403.13	-2.15	-73.81
C[C@H](CNC(=O)C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006322	0	52	0.0	-63.57	393.46	1.35	-62.22
C=CCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025006363	0	48	0.0	-64.03	393.58	0.25	-63.78
C[C@H](CNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006375	0	52	0.0	-65.93	418.04	1.55	-64.38
C[C@H](CNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006375	1	52	0.0	-65.78	418.03	1.55	-64.23
C[C@H](CNC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006389	0	51	0.0	-66.47	407.78	0.88	-65.59
C[C@H](CNC(=O)CC1(O)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006393	0	52	0.0	-67.00	418.16	-0.79	-67.79
C[C@H](CNC(=O)CC1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006416	0	55	0.0	-67.71	416.21	1.25	-66.46
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC(N)=[NH2+]	REAL300025006430	0	39	0.0	-69.55	358.45	-4.25	-73.80
CC[N@@H+]1CCOCC1CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025006474	0	52	0.0	-71.03	418.33	-0.71	-71.74
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CCCC1	REAL300025006492	0	57	0.0	-74.29	451.68	2.42	-71.87
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1C(C)CCCC1C	REAL300025006494	0	57	0.0	-66.50	441.12	1.91	-64.59
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC([NH+](C)C)CC1	REAL300025006497	0	54	0.0	-71.66	429.36	1.63	-70.03
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300025006498	0	51	0.0	-72.43	426.21	1.36	-71.07
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300025006500	0	54	0.0	-63.27	422.82	1.52	-61.75
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@@H+]1C	REAL300025006501	0	49	0.0	-71.24	401.75	0.87	-70.37
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@H+]1C	REAL300025006501	1	49	0.0	-71.24	401.75	0.87	-70.37
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300025006526	0	51	0.0	-67.88	426.18	0.57	-67.31
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300025006558	0	52	0.0	-66.93	385.75	0.96	-65.97
CC(C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300025006694	1	49	0.0	-69.15	405.91	0.65	-68.50
CCC1C[NH+](CC(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025006696	1	48	0.0	-69.58	403.17	0.66	-68.92
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+](C2CCOCC2)C1	REAL300025006698	0	53	0.0	-73.58	433.79	-0.24	-73.82
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+]2CCCC2)CCC1	REAL300025006700	0	52	0.0	-67.02	410.44	1.49	-65.53
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300025006709	1	45	0.0	-65.47	376.44	-0.15	-65.62
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+]1CCC(F)C1	REAL300025006718	1	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	REAL300025006726	1	52	0.0	-70.36	416.99	-0.83	-71.19
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCCC1	REAL300025006739	0	54	0.0	-70.51	424.56	1.43	-69.08
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCC1	REAL300025006741	0	48	0.0	-68.16	392.25	0.68	-67.48
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300025006751	0	48	0.0	-66.40	391.81	-0.01	-66.41
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300025006751	1	48	0.0	-67.51	397.02	0.21	-67.30
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@@H+]1C	REAL300025006753	0	54	0.0	-69.56	424.50	1.54	-68.02
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@H+]1C	REAL300025006753	1	54	0.0	-67.26	431.89	1.74	-65.52
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]2CCOCC12	REAL300025006786	0	50	0.0	-71.74	409.48	-0.90	-72.64
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]2CCOCC12	REAL300025006786	1	50	0.0	-70.40	409.47	-0.92	-71.32
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C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCCN1C	REAL300025006810	0	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	REAL300025006810	1	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	REAL300025006810	1	49	0.0	-73.81	401.16	-1.37	-75.18
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CCOCC(N=[N+]=[N-])C(=O)N[C@H](C)CNC(=O)CSC1=NC(=O)NN1	REAL300025006825	0	45	0.0	-23.01	403.71	-4.90	-27.91
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025006833	0	57	0.0	-63.92	442.68	2.70	-61.22
CC(C)C[N@H+]1CCCC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025006833	1	57	0.0	-62.85	445.46	2.73	-60.12
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300025006874	0	51	0.0	-68.21	430.55	0.23	-67.98
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300025006917	0	55	0.0	-64.02	438.83	2.49	-61.53
CC1=C2C=C(C(=O)N[C@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300025006925	1	46	0.0	-69.55	402.88	2.90	-66.65
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSCC[NH+](C)C	REAL300025006935	0	48	0.0	-73.05	417.43	0.72	-72.33
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300025006945	0	50	0.0	-67.94	408.93	-0.86	-68.80
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@H+]2C1	REAL300025006945	1	50	0.0	-68.11	408.93	-0.83	-68.94
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300025007107	1	45	0.0	-66.95	370.56	-0.64	-67.59
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CCO1	REAL300025007131	0	46	0.0	-77.40	387.91	-0.72	-78.12
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CCO1	REAL300025007131	1	46	0.0	-72.71	380.78	-0.89	-73.60
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CCO1	REAL300025007131	1	46	0.0	-77.40	387.91	-0.72	-78.12
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007306	1	52	0.0	-63.00	435.95	1.95	-61.05
CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300025007313	0	54	0.0	-64.88	419.55	1.27	-63.61
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007315	0	54	0.0	-62.97	417.49	1.39	-61.58
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007315	1	54	0.0	-63.08	423.80	1.32	-61.76
CC(C)[N@H+]1CCCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007341	0	51	0.0	-66.00	398.33	0.77	-65.23
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007341	1	51	0.0	-63.73	409.42	0.96	-62.77
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300025007365	0	52	0.0	-65.71	417.89	1.54	-64.17
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300025007365	1	52	0.0	-65.53	417.82	1.53	-64.00
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007392	1	49	0.0	-64.03	416.18	1.55	-62.48
CC1=[NH+]C=CN1CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007439	1	43	0.0	-65.29	379.96	0.43	-64.86
CC(C[NH+]1CCOCC1)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007441	0	52	0.0	-70.48	421.84	-0.46	-70.94
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCCC1	REAL300025007460	0	54	0.0	-69.05	435.58	2.00	-67.05
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300025007483	0	54	0.0	-66.39	419.97	1.79	-64.60
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+]2CCC1CC2	REAL300025007497	0	49	0.0	-70.35	391.78	0.61	-69.74
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300025007547	0	52	0.0	-61.87	415.09	1.67	-60.20
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300025007547	1	52	0.0	-62.45	414.93	1.67	-60.78
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300025007549	0	51	0.0	-75.17	434.84	0.31	-74.86
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300025007559	0	51	0.0	-74.74	435.22	0.33	-74.41
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025007565	0	48	0.0	-69.88	388.04	0.01	-69.87
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025007565	1	48	0.0	-69.08	392.65	0.30	-68.78
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007568	1	52	0.0	-63.14	436.49	2.02	-61.12
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025007571	0	51	0.0	-69.37	407.49	0.48	-68.89
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025007571	1	51	0.0	-69.04	413.06	0.80	-68.24
CC[N@@H+]1CCOC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025007594	1	49	0.0	-71.55	398.59	-0.25	-71.80
CC[N@H+]1CCOC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025007594	1	49	0.0	-75.74	405.71	-0.09	-75.83
CC[NH+](CC)CC(F)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007646	0	50	0.0	-69.08	409.80	0.54	-68.54
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(C[NH+](C)C)C=CS1	REAL300025007647	0	48	0.0	-61.89	416.19	1.40	-60.49
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1C(C)CCC1C	REAL300025007738	0	51	0.0	-65.14	407.67	0.82	-64.32
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCC1	REAL300025007744	0	51	0.0	-68.70	420.37	1.34	-67.36
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300025007745	0	51	0.0	-70.48	428.69	2.28	-68.20
C#CC[NH+]1CCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025007751	0	50	0.0	-72.14	419.77	1.62	-70.52
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCC1	REAL300025007752	0	51	0.0	-69.22	414.53	1.23	-67.99
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300025007756	0	51	0.0	-61.34	421.41	2.53	-58.81
CC[N@@H+]1CCCCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007762	0	51	0.0	-64.67	400.87	0.89	-63.78
CC[N@H+]1CCCCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007762	1	51	0.0	-63.62	410.32	1.05	-62.57
CC(C)C(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300025007763	0	57	0.0	-64.07	441.84	2.73	-61.34
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300025007766	1	51	0.0	-66.08	425.26	2.30	-63.78
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025007786	0	54	0.0	-67.27	434.85	1.78	-65.49
CC(C)C[N@H+]1CCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025007786	1	54	0.0	-68.41	435.23	1.72	-66.69
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCC1	REAL300025007790	0	48	0.0	-64.56	384.71	0.31	-64.25
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300025007791	1	51	0.0	-66.50	423.52	0.05	-66.45
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007796	0	54	0.0	-61.65	421.05	0.91	-60.74
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025007796	1	54	0.0	-66.41	428.87	1.44	-64.97
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300025007797	0	55	0.0	-66.60	421.33	1.77	-64.83
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300025007797	1	55	0.0	-65.15	436.49	2.20	-62.95
CC(C)[C@@H](C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025007813	0	50	0.0	-66.81	397.11	1.03	-65.78
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCC1	REAL300025007867	0	48	0.0	-67.14	396.65	0.80	-66.34
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCC1	REAL300025007867	1	48	0.0	-66.55	396.75	0.80	-65.75
CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300025007940	0	54	0.0	-62.39	419.89	1.27	-61.12
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300025008001	0	50	0.0	-66.98	425.27	0.48	-66.50
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008009	1	47	0.0	-66.32	397.16	0.58	-65.74
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008009	1	47	0.0	-66.45	402.91	1.10	-65.35
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@@H+]1C	REAL300025008016	0	51	0.0	-68.27	412.47	0.82	-67.45
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@H+]1C	REAL300025008016	1	51	0.0	-70.67	417.92	1.30	-69.37
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300025008028	0	52	0.0	-68.56	407.92	1.01	-67.55
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300025008035	0	52	0.0	-62.95	418.35	1.78	-61.17
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300025008035	1	52	0.0	-63.31	418.33	1.76	-61.55
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+]1CCCC1	REAL300025008060	0	54	0.0	-69.05	441.86	2.12	-66.93
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300025008062	1	51	0.0	-72.80	427.24	2.41	-70.39
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300025008062	1	51	0.0	-72.70	427.19	2.41	-70.29
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300025008076	0	48	0.0	-70.41	395.09	0.47	-69.94
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300025008126	1	47	0.0	-75.07	409.65	-0.15	-75.22
CC1=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C=CC2=C[NH+]=CN21	REAL300025008127	0	46	0.0	-70.50	402.85	2.56	-67.94
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300025008162	0	48	0.0	-64.78	392.48	0.41	-64.37
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300025008162	1	48	0.0	-65.92	383.20	0.24	-65.68
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008187	0	54	0.0	-64.98	435.45	1.98	-63.00
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008187	1	54	0.0	-64.84	434.16	1.98	-62.86
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300025008307	0	43	0.0	-68.76	380.70	2.33	-66.43
CC1=[NH+]C=CN1CCCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008317	1	49	0.0	-65.88	421.50	1.71	-64.17
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300025008325	0	51	0.0	-73.44	428.72	2.31	-71.13
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCOCC1	REAL300025008326	1	49	0.0	-72.54	405.80	-1.18	-73.72
CC1=C[NH+]=CN1CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008362	1	43	0.0	-68.56	379.25	1.12	-67.44
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=[NH+]C2=C1CCCC2	REAL300025008369	1	50	0.0	-67.79	422.13	2.88	-64.91
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300025008407	0	57	0.0	-67.88	436.31	2.20	-65.68
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)C1CCCCC1	REAL300025008413	0	57	0.0	-70.04	448.94	2.41	-67.63
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300025008413	1	57	0.0	-70.40	448.94	2.39	-68.01
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+]1CCC2	REAL300025008415	0	49	0.0	-66.31	395.12	0.80	-65.51
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300025008452	0	54	0.0	-64.02	422.83	1.49	-62.53
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300025008455	0	48	0.0	-69.82	396.86	0.41	-69.41
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300025008455	1	48	0.0	-69.41	397.33	0.37	-69.04
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300025008467	0	47	0.0	-72.53	401.25	-0.38	-72.91
CCC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025008472	0	47	0.0	-66.22	380.77	-0.17	-66.39
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+](C)C)CCCC1	REAL300025008489	0	54	0.0	-70.05	414.36	1.23	-68.82
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300025008538	1	43	0.0	-71.58	380.97	2.32	-69.26
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+](C)C	REAL300025008602	0	50	0.0	-70.39	415.90	0.93	-69.46
CC(C)C(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025008622	0	50	0.0	-66.11	400.16	0.88	-65.23
CCC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008624	0	50	0.0	-70.38	412.13	0.75	-69.63
CCC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008624	1	50	0.0	-70.21	412.13	0.74	-69.47
CCC[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008630	0	47	0.0	-68.72	389.76	0.21	-68.51
CCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008630	1	47	0.0	-68.87	389.76	0.21	-68.66
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300025008657	0	49	0.0	-68.30	392.08	0.04	-68.26
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300025008657	1	49	0.0	-69.05	392.13	0.02	-69.03
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300025008704	0	45	0.0	-65.24	375.56	-0.12	-65.36
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300025008704	1	45	0.0	-66.96	370.55	-0.62	-67.58
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300025008728	0	55	0.0	-66.10	438.42	2.14	-63.96
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300025008728	1	55	0.0	-61.36	432.59	2.38	-58.98
CCCCCC[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008772	0	56	0.0	-69.87	454.26	2.56	-67.31
CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008772	1	56	0.0	-69.98	454.26	2.56	-67.42
CC[NH+](CC)C(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025008778	0	56	0.0	-65.47	426.33	1.88	-63.59
CC[NH+](CC)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025008787	0	47	0.0	-66.70	386.63	0.18	-66.52
CCC[N@@H+]1CCCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025008820	0	54	0.0	-67.58	434.27	1.82	-65.76
CCC[N@H+]1CCCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025008820	1	54	0.0	-63.50	428.01	2.04	-61.46
CC(C)[N@H+]1CCOC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025008841	1	52	0.0	-73.69	422.48	0.42	-73.27
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025008841	1	52	0.0	-69.71	415.32	0.26	-69.45
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(C)CC1	REAL300025008876	0	51	0.0	-68.84	413.49	1.30	-67.54
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COC1CC[NH+](C)CC1	REAL300025008910	0	52	0.0	-73.42	430.48	0.90	-72.52
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CC1	REAL300025008925	0	48	0.0	-70.04	402.22	0.58	-69.46
CC1=[NH+]C=C2CCC(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)CN21	REAL300025008926	1	50	0.0	-62.97	418.16	1.53	-61.44
CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025009015	0	54	0.0	-68.17	429.46	1.66	-66.51
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300025009037	0	48	0.0	-70.41	395.09	0.47	-69.94
CC(C)[C@H](C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025009057	0	50	0.0	-66.08	399.77	0.94	-65.14
CCC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025009091	0	53	0.0	-62.57	416.67	1.12	-61.45
CC[N@H+](CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025010162	0	48	0.0	-65.20	399.73	0.85	-64.35
CC[N@@H+](CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025010162	1	48	0.0	-65.82	396.58	0.83	-64.99
CC[NH+](CC)CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010185	0	50	0.0	-68.86	404.13	0.45	-68.41
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[NH+](C)CC1	REAL300025010201	0	49	0.0	-68.88	404.07	1.10	-67.78
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)(C)C1	REAL300025010214	1	48	0.0	-68.56	401.14	0.44	-68.12
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+]1CCCCC1	REAL300025010220	0	57	0.0	-69.24	457.53	2.81	-66.43
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300025010251	0	49	0.0	-68.02	406.50	-2.77	-70.79
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)(O)C1	REAL300025010251	1	49	0.0	-68.29	406.57	-2.76	-71.05
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300025010260	0	45	0.0	-72.12	386.50	0.03	-72.09
CC(OCC[NH+](C)C)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010284	0	51	0.0	-66.27	426.19	0.57	-65.70
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCOCC[NH+](C)C	REAL300025010295	0	51	0.0	-68.89	427.36	-0.41	-69.30
COCC[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010296	1	48	0.0	-68.31	400.65	-1.36	-69.67
COCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010296	1	48	0.0	-69.61	400.87	-1.36	-70.97
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCCC1	REAL300025010344	0	51	0.0	-69.89	402.86	1.28	-68.61
CC(CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025010347	0	50	0.0	-71.55	404.17	0.54	-71.01
CC[N@@H+]1CCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010357	1	45	0.0	-67.07	374.37	-0.33	-67.40
CC[N@H+]1CCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010357	1	45	0.0	-66.49	375.09	-0.55	-67.04
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025010368	0	54	0.0	-61.54	423.18	1.82	-59.72
CC(C)[N@H+]1CCCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025010368	1	54	0.0	-62.51	423.16	1.82	-60.69
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1CO	REAL300025010382	0	49	0.0	-67.11	404.62	-2.69	-69.80
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1CO	REAL300025010382	1	49	0.0	-68.21	400.17	-3.12	-71.33
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300025010408	0	52	0.0	-65.71	417.89	1.54	-64.17
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300025010408	1	52	0.0	-65.53	417.82	1.53	-64.00
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300025010415	0	51	0.0	-65.54	407.78	0.88	-64.66
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300025010421	0	49	0.0	-70.95	416.92	0.14	-70.81
CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300025010439	0	52	0.0	-68.68	416.15	-2.41	-71.09
C=CCC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025010451	0	48	0.0	-66.58	397.17	0.49	-66.09
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025010468	0	51	0.0	-67.85	410.90	0.44	-67.41
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300025010468	1	51	0.0	-65.85	416.50	0.95	-64.90
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCCC[NH+](C)C	REAL300025010472	0	53	0.0	-69.97	437.40	1.71	-68.26
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC2CC2C1	REAL300025010482	0	46	0.0	-68.51	385.86	0.69	-67.82
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300025010516	0	51	0.0	-67.45	389.24	-1.92	-69.37
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300025010516	1	51	0.0	-74.69	403.40	-2.14	-76.83
CCCC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025010517	0	50	0.0	-66.96	404.64	0.73	-66.23
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+](C)C	REAL300025010522	0	47	0.0	-69.51	377.72	-0.01	-69.52
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300025010567	0	48	0.0	-64.78	392.48	0.41	-64.37
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300025010567	1	48	0.0	-65.92	383.20	0.24	-65.68
C[C@@H](CNC(=O)CSC1=NC(=O)NN1)NC(=O)CCC(F)(F)CN=[N+]=[N-]	REAL300025010579	0	44	0.0	-21.93	402.43	-3.21	-25.14
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300025010614	0	49	0.0	-68.35	409.67	1.14	-67.21
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300025010614	1	49	0.0	-67.04	409.68	1.13	-65.91
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+]2CCCC2)CC1	REAL300025010623	0	52	0.0	-65.09	415.63	1.55	-63.54
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300025010675	0	57	0.0	-69.41	440.51	1.94	-67.47
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300025010675	1	57	0.0	-69.41	440.51	1.94	-67.47
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(CN(C)C)O1	REAL300025010680	0	48	0.0	-71.27	415.07	0.63	-70.64
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300025010680	1	48	0.0	-71.27	415.07	0.63	-70.64
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+]1CCCC1	REAL300025010699	0	49	0.0	-70.81	412.84	1.25	-69.56
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300025010724	0	52	0.0	-68.12	419.95	1.67	-66.45
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300025010747	0	48	0.0	-69.20	398.86	0.53	-68.67
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300025010799	0	46	0.0	-68.10	382.57	0.01	-68.09
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300025010813	0	49	0.0	-66.38	394.96	0.70	-65.68
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2CCC1C2	REAL300025010813	1	49	0.0	-66.38	394.96	0.70	-65.68
CC(C)[NH+]1CCC(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025010824	0	57	0.0	-66.59	444.40	2.13	-64.46
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1C[NH+]2CCC1CC2	REAL300025010871	0	50	0.0	-66.15	406.67	1.21	-64.94
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC2C=CC1C2	REAL300025010882	0	47	0.0	-66.63	390.51	0.81	-65.82
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300025010882	1	47	0.0	-66.85	389.60	0.78	-66.07
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300025010882	1	47	0.0	-66.85	389.60	0.78	-66.07
CC(C[NH+](C)C)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010941	0	47	0.0	-65.19	388.21	0.21	-64.98
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@@H+]1C	REAL300025011030	0	51	0.0	-69.74	409.78	1.00	-68.74
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@H+]1C	REAL300025011030	1	51	0.0	-69.74	409.78	1.00	-68.74
CC1=C2C=C(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=N1	REAL300025011050	0	46	0.0	-69.52	402.88	2.90	-66.62
CC1=C2C=C(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300025011050	1	46	0.0	-69.52	402.88	2.90	-66.62
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC1C	REAL300025011055	0	45	0.0	-67.59	381.86	-0.10	-67.69
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC1C	REAL300025011055	1	45	0.0	-67.16	381.85	-0.10	-67.26
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC1C	REAL300025011055	1	45	0.0	-67.16	381.85	-0.10	-67.26
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC(O)C[NH+](C)C	REAL300025011060	0	48	0.0	-72.64	403.13	-2.17	-74.81
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC(C)O1	REAL300025011093	0	49	0.0	-75.78	409.13	-0.01	-75.79
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CC(C)O1	REAL300025011093	1	49	0.0	-69.75	401.98	-0.16	-69.91
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300025011093	1	49	0.0	-69.75	401.98	-0.16	-69.91
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCC(O)CC1	REAL300025011104	0	52	0.0	-72.80	425.17	-2.15	-74.95
CCC[N@@H+]1CCCCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025011107	0	54	0.0	-65.20	422.38	1.63	-63.57
CCC[N@H+]1CCCCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025011107	1	54	0.0	-65.20	422.38	1.63	-63.57
CC[NH+]1CCN(CCC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025011112	0	56	0.0	-70.69	449.14	-0.54	-71.23
CCN1CC[NH+](CCC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025011112	1	56	0.0	-70.69	449.14	-0.54	-71.23
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300025011115	0	55	0.0	-61.46	425.25	2.30	-59.16
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300025011115	1	55	0.0	-61.46	425.25	2.30	-59.16
CC(C)C[NH+]1CCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025011156	0	57	0.0	-69.94	451.90	2.58	-67.36
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CCC([NH+](C)C)CC1	REAL300025011181	0	56	0.0	-69.34	443.89	-0.50	-69.84
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025011201	0	48	0.0	-69.80	400.27	0.54	-69.26
CC(CC[NH+](C)C)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025011209	0	50	0.0	-69.46	410.57	0.70	-68.76
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300025011235	0	52	0.0	-66.79	421.17	-1.80	-68.59
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300025011235	1	52	0.0	-66.89	421.54	-1.98	-68.87
C#CC[N@H+]1CCCCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025011244	1	50	0.0	-64.83	417.82	1.60	-63.23
C#CC[N@@H+]1CCCCC1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025011244	1	50	0.0	-65.66	417.78	1.62	-64.04
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC[NH+](C)CC1	REAL300025011248	1	50	0.0	-69.30	409.55	-1.68	-70.98
CC[NH+]1CCN(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025011258	0	53	0.0	-67.98	426.79	-1.04	-69.02
C[C@@H](CNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011435	0	45	0.0	-65.94	370.53	-0.65	-66.59
C[C@@H](CNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011435	1	45	0.0	-64.46	376.48	-0.20	-64.66
C[C@@H](CNC(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011461	1	46	0.0	-73.50	387.91	-0.75	-74.25
C[C@@H](CNC(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011461	1	46	0.0	-73.70	387.92	-0.75	-74.45
CC1=[NH+]C=CN1CCCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011624	1	49	0.0	-65.34	421.50	1.71	-63.63
C[C@@H](CNC(=O)C1=CC=C(C[NH+](C)C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011632	0	51	0.0	-72.08	428.67	2.29	-69.79
C[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011633	1	49	0.0	-70.93	405.80	-1.19	-72.12
C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011665	0	49	0.0	-63.82	395.11	0.79	-63.03
C[C@@H](CNC(=O)C1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011680	1	43	0.0	-69.97	380.97	2.30	-67.67
C[C@@H](CNC(=O)C1CCCC([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011746	0	54	0.0	-67.73	429.36	1.64	-66.09
C[C@@H](CNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011749	0	48	0.0	-69.30	396.85	0.40	-68.90
C[C@@H](CNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011749	1	48	0.0	-68.85	397.32	0.35	-68.50
C[C@@H](CNC(=O)C1=C[NH+]=CC=C1N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011761	0	47	0.0	-69.51	401.25	-0.40	-69.91
CCC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025011766	0	47	0.0	-65.11	381.25	-0.25	-65.36
C[C@@H](CNC(=O)C1CCC2CC(C)C[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011816	0	55	0.0	-60.65	432.75	2.38	-58.27
C[C@@H](CNC(=O)C1CCC2CC(C)C[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011816	1	55	0.0	-64.68	438.64	2.16	-62.52
C[C@@H](CNC(=O)CCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011843	0	50	0.0	-69.52	415.89	0.93	-68.59
CC(C)C(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025011865	0	50	0.0	-64.66	394.75	0.35	-64.31
CCC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011867	0	50	0.0	-68.86	412.13	0.76	-68.10
CCC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011867	1	50	0.0	-68.78	412.13	0.76	-68.02
CCC[N@H+](C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011873	0	47	0.0	-67.21	389.76	0.22	-66.99
CCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011873	1	47	0.0	-67.24	389.76	0.21	-67.03
C[C@@H](CNC(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011900	0	49	0.0	-69.30	392.46	0.02	-69.28
C[C@@H](CNC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011900	1	49	0.0	-67.68	392.17	0.00	-67.68
CCCCCC[N@H+](C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011941	0	56	0.0	-68.31	454.26	2.57	-65.74
CCCCCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011941	1	56	0.0	-68.36	454.26	2.57	-65.79
CC[NH+](CC)C(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025011947	0	56	0.0	-61.84	429.49	2.08	-59.76
C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011983	0	51	0.0	-67.10	413.10	1.29	-65.81
C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012017	0	52	0.0	-72.67	430.48	0.90	-71.77
C[C@@H](CNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012079	0	52	0.0	-65.78	418.08	1.55	-64.23
C[C@@H](CNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012079	1	52	0.0	-65.84	418.03	1.55	-64.29
C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012091	0	48	0.0	-66.40	402.20	0.57	-65.83
CC1=[NH+]C=C2CCC(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)CN21	REAL300025012092	1	50	0.0	-61.62	418.16	1.54	-60.08
CC(C)[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025012104	0	54	0.0	-66.93	425.78	1.42	-65.51
CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012131	0	47	0.0	-68.22	390.63	0.03	-68.19
CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012131	1	47	0.0	-68.21	390.63	0.02	-68.19
C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012160	0	54	0.0	-63.89	419.88	1.78	-62.11
C[C@@H](CNC(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012174	0	49	0.0	-69.93	391.81	0.60	-69.33
C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012257	0	48	0.0	-69.31	395.11	0.46	-68.85
CC(C)[C@H](C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025012277	0	50	0.0	-65.30	399.98	1.03	-64.27
C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012350	0	55	0.0	-69.50	444.31	2.67	-66.83
CC[NH+](CC)CC(F)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012390	0	50	0.0	-68.48	407.66	0.43	-68.05
C[C@@H](CNC(=O)C1=C(C[NH+](C)C)C=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012391	0	48	0.0	-63.09	416.15	1.39	-61.70
CC(C)C[N@@H+]1CCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025012429	0	54	0.0	-66.30	434.96	1.78	-64.52
CC(C)C[N@H+]1CCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025012429	1	54	0.0	-66.39	434.98	1.78	-64.61
C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012433	0	48	0.0	-63.59	384.00	0.42	-63.17
CCC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025012467	0	53	0.0	-61.63	416.66	1.11	-60.52
C[C@@H](CNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012490	0	48	0.0	-64.40	395.69	0.58	-63.82
C[C@@H](CNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012490	1	48	0.0	-64.15	396.57	0.46	-63.69
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012568	1	52	0.0	-61.92	435.95	1.96	-59.96
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300025012575	0	54	0.0	-65.07	415.03	1.47	-63.60
CC(C)[N@H+]1CCCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012577	0	54	0.0	-61.67	417.50	1.35	-60.32
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012577	1	54	0.0	-61.74	417.51	1.36	-60.38
CC(C)[N@H+]1CCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012603	0	51	0.0	-63.76	402.99	1.04	-62.72
CC(C)[N@@H+]1CCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012603	1	51	0.0	-63.76	403.24	1.11	-62.65
C[C@@H](CNC(=O)C(CN1C=CC=N1)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012608	1	51	0.0	-66.43	423.50	0.07	-66.36
CC(C)[N@H+]1CCCC1CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012613	0	54	0.0	-61.70	421.01	0.90	-60.80
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012613	1	54	0.0	-65.23	432.74	1.46	-63.77
C[C@@H](CNC(=O)C1CCC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012614	0	55	0.0	-62.80	437.77	2.42	-60.38
C[C@@H](CNC(=O)C1CCC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012614	1	55	0.0	-63.44	436.46	2.19	-61.25
CC(C)[C@@H](C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025012630	0	50	0.0	-64.49	396.15	0.35	-64.14
C[C@@H](CNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012653	0	48	0.0	-66.13	395.95	0.48	-65.65
C[C@@H](CNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012653	1	48	0.0	-66.40	396.60	0.55	-65.85
CC1=[NH+]C=C2CC(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300025012655	1	50	0.0	-63.35	419.05	1.53	-61.82
C[C@@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012658	0	51	0.0	-66.26	416.09	1.05	-65.21
C[C@@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012658	1	51	0.0	-66.32	415.76	1.05	-65.27
C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012659	0	53	0.0	-66.66	420.16	1.31	-65.35
C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012659	1	53	0.0	-66.60	420.16	1.30	-65.30
CC[C@@H](C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025012670	0	47	0.0	-64.84	381.19	-0.20	-65.04
C[C@@H](CNC(=O)CCN(C)C1=CC=[NH+]C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012817	0	50	0.0	-65.33	425.27	0.48	-64.85
CC1=[NH+]C=CN1CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012917	1	43	0.0	-64.57	379.96	0.42	-64.15
CC(C[NH+]1CCOCC1)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012919	0	52	0.0	-69.13	421.84	-0.48	-69.61
C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012938	0	54	0.0	-68.02	435.58	2.01	-66.01
C[C@@H](CNC(=O)C1=NOC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012958	1	47	0.0	-75.69	409.65	-0.17	-75.86
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=CC2=C[NH+]=CN21	REAL300025012959	0	46	0.0	-66.67	394.82	2.68	-63.99
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025012995	1	49	0.0	-63.13	416.18	1.53	-61.60
C[C@@H](CNC(=O)C1CCCC2CCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013043	0	52	0.0	-60.77	415.12	1.63	-59.14
C[C@@H](CNC(=O)C1CCCC2CCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013043	1	52	0.0	-63.10	407.22	1.37	-61.73
CC[N@@H+]1CCOC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025013075	1	49	0.0	-68.00	398.57	-0.27	-68.27
CC[N@H+]1CCOC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025013075	1	49	0.0	-72.02	405.72	-0.09	-72.11
C[C@@H](CNC(=O)C1=CN2C=[NH+]C=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013136	0	43	0.0	-68.04	380.70	2.30	-65.74
CC1=C[NH+]=CN1CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013141	1	43	0.0	-67.18	379.25	1.11	-66.07
C[C@@H](CNC(=O)C1=CN(CC[NH+](C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013144	0	51	0.0	-75.43	434.85	0.30	-75.13
C[C@@H](CNC(=O)C1=NN(CC[NH+](C)C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013154	0	51	0.0	-71.53	435.22	0.30	-71.23
C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013160	0	48	0.0	-69.19	387.28	-0.22	-69.41
C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013160	1	48	0.0	-67.19	392.58	0.32	-66.87
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013163	1	52	0.0	-61.94	436.48	2.01	-59.93
CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025013166	0	51	0.0	-67.68	407.96	0.49	-67.19
CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025013166	1	51	0.0	-66.16	411.24	1.06	-65.10
C[C@@H](CNC(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013183	0	51	0.0	-63.00	407.30	0.68	-62.32
C[C@@H](CNC(=O)CCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013189	0	51	0.0	-67.80	420.36	1.33	-66.47
C[C@@H](CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013190	0	51	0.0	-70.96	428.68	2.29	-68.67
C#CC[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025013197	0	50	0.0	-70.69	419.79	1.61	-69.08
C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013198	0	51	0.0	-67.77	414.08	1.21	-66.56
C[C@@H](CNC(=O)C1=CC=CC=C1C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013203	0	51	0.0	-62.44	421.59	2.55	-59.89
CC[N@@H+]1CCCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013209	0	51	0.0	-62.93	410.31	1.04	-61.89
CC[N@H+]1CCCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013209	1	51	0.0	-63.45	400.86	0.88	-62.57
CC(C)C(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300025013210	0	57	0.0	-62.72	438.76	2.46	-60.26
C[C@@H](CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013213	1	51	0.0	-65.43	425.23	2.30	-63.13
C[C@@H](CNC(=O)CN1C=[NH+]C2=C1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013218	1	50	0.0	-66.12	422.12	2.87	-63.25
C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013257	0	57	0.0	-69.03	435.19	2.45	-66.58
C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013263	0	57	0.0	-68.52	448.94	2.40	-66.12
C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013263	1	57	0.0	-68.68	448.94	2.40	-66.28
C[C@@H](CNC(=O)CC1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013264	0	54	0.0	-62.72	418.75	1.50	-61.22
C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013458	0	48	0.0	-65.57	396.65	0.78	-64.79
C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013458	1	48	0.0	-65.30	396.75	0.79	-64.51
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300025013488	0	54	0.0	-61.16	421.22	1.15	-60.01
C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013503	0	54	0.0	-68.23	441.86	2.11	-66.12
C[C@@H](CNC(=O)C[N@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013505	1	51	0.0	-70.81	427.24	2.39	-68.42
C[C@@H](CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013505	1	51	0.0	-70.75	427.19	2.40	-68.35
C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013519	0	48	0.0	-69.31	395.11	0.46	-68.85
C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013574	0	45	0.0	-64.27	375.62	-0.13	-64.40
C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013574	1	45	0.0	-66.05	370.48	-0.65	-66.70
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013598	1	47	0.0	-64.39	397.17	0.58	-63.81
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013598	1	47	0.0	-64.73	402.91	1.09	-63.64
C[C@@H](CNC(=O)CCC1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013605	0	51	0.0	-67.40	412.47	0.83	-66.57
C[C@@H](CNC(=O)CCC1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013605	1	51	0.0	-68.32	417.92	1.29	-67.03
C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013617	0	52	0.0	-68.06	407.92	1.00	-67.06
C[C@@H](CNC(=O)C1CCC2CCCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013624	0	52	0.0	-61.52	418.46	1.75	-59.77
C[C@@H](CNC(=O)C1CCC2CCCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013624	1	52	0.0	-61.65	418.38	1.74	-59.91
CCC[N@@H+]1CCCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025013707	0	54	0.0	-62.43	428.02	2.02	-60.41
CCC[N@H+]1CCCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025013707	1	54	0.0	-66.50	434.28	1.82	-64.68
CC(C)[N@H+]1CCOC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025013728	0	52	0.0	-66.74	415.35	0.26	-66.48
CC(C)[N@@H+]1CCOC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025013728	1	52	0.0	-66.28	415.36	0.25	-66.03
C[C@@H](CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013763	0	48	0.0	-64.91	383.18	0.22	-64.69
C[C@@H](CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013763	1	48	0.0	-64.18	392.50	0.40	-63.78
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013789	0	54	0.0	-63.27	434.19	1.96	-61.31
CC(C)C[N@H+]1CCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013789	1	54	0.0	-64.17	429.47	1.45	-62.72
C[C@@H](CNC(=O)C[NH+]1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013807	1	52	0.0	-68.77	424.32	-2.01	-70.78
C[C@@H](CNC(=O)C=C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013842	0	53	0.0	-67.87	423.57	1.73	-66.14
C[C@@H](CNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013860	0	48	0.0	-66.85	392.76	0.23	-66.62
C[C@@H](CNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013860	1	48	0.0	-65.86	391.73	0.01	-65.85
C[C@@H](CNC(=O)CCC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013862	0	54	0.0	-66.82	431.85	1.73	-65.09
C[C@@H](CNC(=O)CCC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013862	1	54	0.0	-67.22	431.61	1.72	-65.50
C[C@@H](CNC(=O)CCC(F)(F)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300025013956	0	44	0.0	-21.93	402.40	-3.22	-25.15
C[C@@H](CNC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013973	0	51	0.0	-63.16	411.83	0.49	-62.67
C[C@@H](CNC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013973	1	51	0.0	-63.52	397.71	-0.33	-63.85
C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013994	0	44	0.0	-65.55	368.64	-0.80	-66.35
C[C@@H](CNC(=O)C1=CC=NC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014013	1	50	0.0	-68.62	424.68	0.83	-67.79
C=CCC(C)(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025014017	0	51	0.0	-63.16	405.90	0.85	-62.31
C[C@@H](CNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014047	0	48	0.0	-68.01	397.25	0.42	-67.59
C[C@@H](CNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014057	1	45	0.0	-67.68	378.61	-3.76	-71.44
C[C@@H](CNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014057	1	45	0.0	-67.17	378.39	-3.77	-70.94
C[C@@H](CNC(=O)C1C[N@@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014100	0	51	0.0	-70.48	398.66	-1.88	-72.36
C[C@@H](CNC(=O)C1C[N@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014100	1	51	0.0	-71.75	397.34	-1.40	-73.15
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300025014128	1	49	0.0	-67.84	405.91	0.65	-67.19
C[C@@H](CNC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014171	0	49	0.0	-68.29	409.67	1.14	-67.15
C[C@@H](CNC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014171	1	49	0.0	-67.15	409.66	1.14	-66.01
C[C@@H](CNC(=O)C(O)CC[S+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014187	0	47	0.0	-67.22	415.38	-1.54	-68.76
C[C@@H](CNC(=O)C1(C)CC(O)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014209	0	49	0.0	-68.57	398.50	-2.75	-71.32
C[C@@H](CNC(=O)C1(C)CC(O)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014209	1	49	0.0	-67.75	398.90	-3.11	-70.86
C[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014224	0	53	0.0	-65.67	422.83	-1.02	-66.69
C[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014224	1	53	0.0	-66.55	420.68	-1.05	-67.60
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(O)C1	REAL300025014225	0	52	0.0	-66.13	421.41	-2.30	-68.43
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCCC(O)C1	REAL300025014225	1	52	0.0	-64.65	421.42	-2.29	-66.94
C[C@@H](CNC(=O)CC1(O)CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014264	0	52	0.0	-64.48	420.84	-0.85	-65.33
C[C@@H](CNC(=O)CC1(O)CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014264	1	52	0.0	-64.91	411.15	-1.05	-65.96
C[C@@H](CNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014270	1	45	0.0	-67.28	380.61	-0.03	-67.31
CC[N@@H+]1CCCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025014277	0	51	0.0	-66.02	412.78	1.08	-64.94
CC[N@H+]1CCCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025014277	1	51	0.0	-66.03	412.76	1.08	-64.95
C[C@@H](CNC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014300	0	49	0.0	-64.89	403.46	0.89	-64.00
C[C@@H](CNC(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014300	1	49	0.0	-61.66	403.06	1.12	-60.54
C[C@@H](CNC(=O)C=CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014349	0	49	0.0	-69.63	412.84	1.22	-68.41
C[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014374	0	52	0.0	-66.91	419.97	1.67	-65.24
CC[N@H+](C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014424	0	44	0.0	-66.87	368.27	-0.52	-67.39
C[C@@H](CNC(=O)CN1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014489	0	47	0.0	-64.02	389.38	0.66	-63.36
C[C@@H](CNC(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014489	1	47	0.0	-65.16	389.88	0.78	-64.38
C[C@@H](CNC(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014489	1	47	0.0	-65.16	389.88	0.78	-64.38
CC1=CC=C(NCCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300025014513	0	50	0.0	-63.46	429.40	0.21	-63.25
CC1=CC=C(NCCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)[NH+]=C1	REAL300025014513	1	50	0.0	-63.46	429.40	0.21	-63.25
C[C@@H](CNC(=O)C1C[NH+]2CCN1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014589	0	48	0.0	-70.65	386.85	-2.73	-73.38
C[C@@H](CNC(=O)C12CCC[N@@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014639	0	52	0.0	-62.22	406.08	1.34	-60.88
C[C@@H](CNC(=O)C12CCC[N@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014639	1	52	0.0	-62.22	406.08	1.34	-60.88
C[C@@H](CNC(=O)C12CCC[N@@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014650	0	50	0.0	-61.56	398.38	1.13	-60.43
C[C@@H](CNC(=O)C12CCC[N@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014650	1	50	0.0	-61.56	398.38	1.13	-60.43
CC(OCC[NH+](C)C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014661	0	51	0.0	-66.58	426.18	0.55	-66.03
C[C@@H](CNC(=O)CCOCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014673	0	51	0.0	-67.52	427.35	-0.39	-67.91
COCCN(C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014675	0	48	0.0	-67.00	400.65	-1.36	-68.36
COCC[N@H+](C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014675	1	48	0.0	-67.69	400.86	-1.36	-69.05
COCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014675	1	48	0.0	-67.69	400.86	-1.36	-69.05
CC(CCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025014682	0	50	0.0	-69.41	404.17	0.54	-68.87
CC[N@H+](CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025014715	0	48	0.0	-64.39	396.89	0.79	-63.60
C[C@@H](CNC(=O)C1C[N@@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014732	0	51	0.0	-70.75	403.52	-2.23	-72.98
C[C@@H](CNC(=O)C1C[N@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014732	1	51	0.0	-70.75	403.52	-2.23	-72.98
C[C@@H](CNC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014763	0	46	0.0	-65.39	380.74	0.18	-65.21
CC1=NC(N)=CC=C1C=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014773	0	48	0.0	-65.58	415.52	-0.54	-66.12
CC1=[NH+]C(N)=CC=C1C=CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014773	1	48	0.0	-65.58	415.52	-0.54	-66.12
C[C@@H](CNC(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014781	0	49	0.0	-65.00	396.99	0.90	-64.10
C[C@@H](CNC(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014781	1	49	0.0	-65.00	396.99	0.90	-64.10
CC(C)[NH+]1CCC(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025014795	0	57	0.0	-65.74	444.40	2.13	-63.61
CC(C[NH+](C)C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014809	0	47	0.0	-68.01	388.94	0.06	-67.95
CCN1CCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014865	0	45	0.0	-65.29	374.36	-0.34	-65.63
CC[N@@H+]1CCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014865	1	45	0.0	-65.65	382.16	-0.17	-65.82
CC[N@H+]1CCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014865	1	45	0.0	-65.65	382.16	-0.17	-65.82
CC(C)[N@@H+]1CCCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025014879	0	54	0.0	-61.47	423.16	1.79	-59.68
CC(C)[N@H+]1CCCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025014879	1	54	0.0	-61.47	423.16	1.79	-59.68
CCC(C)(C)[NH2+]C(C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014898	0	53	0.0	-63.95	415.91	-0.61	-64.56
C#CCN1CCCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014950	0	50	0.0	-64.19	408.39	1.42	-62.77
C#CC[N@H+]1CCCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014950	1	50	0.0	-64.29	408.41	1.42	-62.87
C#CC[N@@H+]1CCCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014950	1	50	0.0	-64.29	408.41	1.42	-62.87
CCCC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025014965	0	50	0.0	-66.03	404.64	0.72	-65.31
C[C@@H](CNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014973	0	47	0.0	-66.12	377.77	-0.01	-66.13
CC(CC[NH+](C)C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014997	0	50	0.0	-68.81	410.57	0.68	-68.13
C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015051	0	55	0.0	-61.57	425.25	2.27	-59.30
C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015051	1	55	0.0	-61.57	425.25	2.27	-59.30
C[C@@H](CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015085	0	50	0.0	-62.81	406.65	2.15	-60.66
C[C@@H](CNC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015134	0	51	0.0	-65.39	410.41	0.51	-64.88
C[C@@H](CNC(=O)CCCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015139	0	53	0.0	-69.48	437.39	1.71	-67.77
C[C@@H](CNC(=O)CC[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015144	0	52	0.0	-71.44	425.62	-2.12	-73.56
C[C@@H](CNC(=O)CC[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016209	0	54	0.0	-69.14	424.71	1.46	-67.68
C[C@@H](CNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016213	0	48	0.0	-66.33	392.25	0.67	-65.66
C[C@@H](CNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016215	0	48	0.0	-67.60	395.10	0.41	-67.19
C[C@@H](CNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016215	1	48	0.0	-67.62	395.13	0.42	-67.20
C[C@@H](CNC(=O)C[NH+]1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016216	1	52	0.0	-68.77	424.32	-2.01	-70.78
C[C@@H](CNC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016222	0	51	0.0	-66.57	401.86	0.85	-65.72
C[C@@H](CNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016229	0	43	0.0	-65.44	381.77	2.32	-63.12
C[C@@H](CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016246	0	57	0.0	-68.85	440.53	1.92	-66.93
C[C@@H](CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016246	1	57	0.0	-68.84	440.51	1.91	-66.93
C[C@@H](CNC(=O)C1=CC=C(C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016251	1	48	0.0	-68.93	415.08	0.61	-68.32
C[C@@H](CNC(=O)C1=CC=C(C[NH+](C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016258	0	50	0.0	-70.61	424.48	0.43	-70.18
C[C@@H](CNC(=O)C[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016275	1	49	0.0	-70.95	403.73	-2.66	-73.61
C[C@@H](CNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016281	0	45	0.0	-65.06	379.94	0.21	-64.85
C[C@@H](CNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016281	1	45	0.0	-65.00	379.93	0.21	-64.79
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300025016283	1	53	0.0	-68.30	423.79	-1.36	-69.66
C[C@@H](CNC(=O)CC[N@@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016287	0	48	0.0	-72.24	405.14	0.62	-71.62
C[C@@H](CNC(=O)CC[N@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016287	1	48	0.0	-72.18	405.13	0.62	-71.56
COC1C[N@H+](C)C(C)(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025016302	0	52	0.0	-65.94	418.91	-0.66	-66.60
COC1C[N@@H+](C)C(C)(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025016302	1	52	0.0	-66.24	420.94	-0.75	-66.99
CCOCC(N=[N+]=[N-])C(=O)NC[C@H](C)NC(=O)CSC1=NC(=O)NN1	REAL300025016316	0	45	0.0	-22.49	402.48	-4.73	-27.22
CC(CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025016324	0	50	0.0	-70.03	407.67	0.78	-69.25
C[C@@H](CNC(=O)C1CC[N@@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016346	0	50	0.0	-69.25	409.46	-0.92	-70.17
C[C@@H](CNC(=O)C1CC[N@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016346	1	50	0.0	-65.46	405.76	-0.88	-66.34
CC1=[NH+]C=C2C=CC(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300025016352	0	46	0.0	-63.94	402.12	2.07	-61.87
C[C@@H](CNC(=O)CC1COCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016372	1	49	0.0	-65.17	393.66	-1.52	-66.69
C[C@@H](CNC(=O)CC1COCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016372	1	49	0.0	-65.17	393.66	-1.52	-66.69
CC[NH+]1CCN(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025016383	0	53	0.0	-67.38	427.29	-1.01	-68.39
C[C@@H](CNC(=O)C[N@@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016506	0	49	0.0	-67.27	407.07	-2.77	-70.04
C[C@@H](CNC(=O)C[N@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016506	1	49	0.0	-67.17	406.94	-2.78	-69.95
C[C@@H](CNC(=O)C1=CC=NN1CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016514	0	51	0.0	-68.21	430.10	0.28	-67.93
C[C@@H](CNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016547	0	45	0.0	-68.42	381.97	-0.38	-68.80
C[C@@H](CNC(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016553	0	52	0.0	-64.90	416.52	1.29	-63.61
C[C@@H](CNC(=O)C1CC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016553	1	52	0.0	-65.00	416.59	1.24	-63.76
C[C@@H](CNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016561	0	41	0.0	-67.70	350.53	-1.21	-68.91
C[C@@H](CNC(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016598	0	48	0.0	-68.20	400.98	-3.20	-71.40
C[C@@H](CNC(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016598	1	48	0.0	-68.14	400.96	-3.22	-71.36
C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016599	0	44	0.0	-65.55	368.64	-0.80	-66.35
C[C@@H](CNC(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016623	0	51	0.0	-68.44	409.79	0.99	-67.45
C[C@@H](CNC(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016623	1	51	0.0	-68.33	409.77	1.00	-67.33
CC1=C2C=C(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300025016651	1	46	0.0	-67.62	402.89	2.87	-64.75
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025016652	1	48	0.0	-64.37	398.16	0.54	-63.83
C[C@@H](CNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016657	1	45	0.0	-65.88	381.86	-0.12	-66.00
C[C@@H](CNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016657	1	45	0.0	-65.65	381.81	-0.08	-65.73
C[C@@H](CNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016674	0	45	0.0	-71.02	387.76	0.05	-70.97
C[C@@H](CNC(=O)CCCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016702	0	57	0.0	-68.43	457.08	2.80	-65.63
CC1=C(C)[NH+]=C(CCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025016715	1	49	0.0	-62.67	420.77	0.10	-62.57
C[C@@H](CNC(=O)C1(C2CC[NH+](C)CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016724	0	55	0.0	-65.46	438.81	2.48	-62.98
CC1=C2C=C(C(=O)NC[C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300025016732	1	46	0.0	-67.62	402.89	2.87	-64.75
C[C@@H](CNC(=O)CSCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016743	0	48	0.0	-72.01	417.43	0.73	-71.28
C[C@@H](CNC(=O)C[N@@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016771	0	49	0.0	-65.51	403.73	-2.57	-68.08
C[C@@H](CNC(=O)C[N@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016771	1	49	0.0	-65.45	405.38	-2.65	-68.10
CC[NH+](CC)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016775	0	47	0.0	-65.53	382.12	-0.11	-65.64
C[C@@H](CNC(=O)C[N@H+](C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016786	0	49	0.0	-72.62	409.87	1.02	-71.60
C[C@@H](CNC(=O)C[N@@H+](C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016786	1	49	0.0	-72.33	409.74	1.05	-71.28
C[C@@H](CNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016788	1	42	0.0	-67.27	360.63	-0.77	-68.04
CC[NH+](CC)CCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016845	0	50	0.0	-67.48	404.13	0.44	-67.04
C[C@@H](CNC(=O)C[NH+]1CCC(C(N)=O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016868	0	52	0.0	-76.56	428.18	-2.65	-79.21
C[C@@H](CNC(=O)C1=CC(C[NH+](C)C)=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016920	0	49	0.0	-70.46	416.89	0.12	-70.34
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300025016941	1	52	0.0	-67.61	416.01	-2.43	-70.04
C[C@@H](CNC(=O)C1CC2COCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016948	0	50	0.0	-66.67	408.95	-0.83	-67.50
C[C@@H](CNC(=O)C1CC2COCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016948	1	50	0.0	-66.97	408.99	-0.84	-67.81
CC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025016966	1	45	0.0	-64.71	378.75	-0.14	-64.85
CCC(CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025016976	0	53	0.0	-70.89	425.37	1.41	-69.48
C[C@@H](CNC(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016985	0	50	0.0	-67.06	400.37	0.53	-66.53
C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017056	0	48	0.0	-64.07	392.46	0.40	-63.67
C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017056	1	48	0.0	-64.98	383.18	0.21	-64.77
C[C@@H](CNC(=O)C1C[N@@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017073	0	51	0.0	-69.56	401.88	-2.32	-71.88
C[C@@H](CNC(=O)C1C[N@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017073	1	51	0.0	-69.08	401.88	-2.31	-71.39
C[C@@H](CNC(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017100	0	48	0.0	-71.71	403.14	-2.15	-73.86
C[C@@H](CNC(=O)C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017103	0	52	0.0	-63.61	393.48	1.35	-62.26
C=CCC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025017144	0	48	0.0	-65.43	397.15	0.48	-64.95
C[C@@H](CNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017156	0	52	0.0	-65.78	418.08	1.55	-64.23
C[C@@H](CNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017156	1	52	0.0	-65.84	418.03	1.55	-64.29
C[C@@H](CNC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017170	0	51	0.0	-66.34	407.78	0.87	-65.47
C[C@@H](CNC(=O)CC1(O)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017174	0	52	0.0	-66.65	418.16	-0.79	-67.44
C[C@@H](CNC(=O)CC1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017197	0	55	0.0	-67.09	416.21	1.26	-65.83
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC(N)=[NH2+]	REAL300025017211	0	39	0.0	-69.53	358.45	-4.25	-73.78
CC[N@@H+]1CCOCC1CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025017255	0	52	0.0	-69.22	413.88	-0.83	-70.05
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CCCC1	REAL300025017273	0	57	0.0	-68.10	451.73	2.40	-65.70
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1C(C)CCCC1C	REAL300025017275	0	57	0.0	-66.29	440.74	1.88	-64.41
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC([NH+](C)C)CC1	REAL300025017278	0	54	0.0	-70.16	429.36	1.64	-68.52
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300025017279	0	51	0.0	-67.08	425.71	1.32	-65.76
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300025017281	0	54	0.0	-63.27	422.82	1.52	-61.75
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@@H+]1C	REAL300025017282	0	49	0.0	-70.38	401.78	0.86	-69.52
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@H+]1C	REAL300025017282	1	49	0.0	-70.38	401.78	0.86	-69.52
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025017307	0	51	0.0	-66.29	426.19	0.57	-65.72
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300025017339	0	52	0.0	-66.54	388.67	1.11	-65.43
CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300025017475	1	49	0.0	-69.71	405.90	0.66	-69.05
CCC1C[NH+](CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025017477	1	48	0.0	-69.44	403.17	0.67	-68.77
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+](C2CCOCC2)C1	REAL300025017479	0	53	0.0	-73.11	434.05	-0.19	-73.30
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+]2CCCC2)CCC1	REAL300025017481	0	52	0.0	-62.89	412.71	1.58	-61.31
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300025017490	1	45	0.0	-65.76	376.33	-0.15	-65.91
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+]1CCC(F)C1	REAL300025017499	1	48	0.0	-73.77	404.57	0.56	-73.21
COC1C[N@@H+](C)C(C)(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025017507	1	52	0.0	-67.42	421.87	-0.68	-68.10
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCCC1	REAL300025017520	0	54	0.0	-71.17	424.55	1.43	-69.74
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCC1	REAL300025017522	0	48	0.0	-68.02	392.25	0.68	-67.34
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300025017532	0	48	0.0	-67.70	391.81	0.00	-67.70
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300025017532	1	48	0.0	-69.82	386.71	-0.20	-70.02
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@@H+]1C	REAL300025017534	0	54	0.0	-67.23	431.85	1.73	-65.50
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@H+]1C	REAL300025017534	1	54	0.0	-68.02	431.60	1.72	-66.30
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]2CCOCC12	REAL300025017567	0	50	0.0	-66.10	405.44	-0.90	-67.00
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]2CCOCC12	REAL300025017567	1	50	0.0	-66.94	405.63	-0.86	-67.80
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300025017572	0	46	0.0	-65.02	402.12	2.10	-62.92
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCCN1C	REAL300025017591	0	49	0.0	-73.25	401.17	-1.37	-74.62
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@@H+]1C	REAL300025017591	1	49	0.0	-65.31	393.66	-1.52	-66.83
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@H+]1C	REAL300025017591	1	49	0.0	-73.25	401.17	-1.37	-74.62
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025017600	1	49	0.0	-63.78	420.77	0.08	-63.70
CCOCC(N=[N+]=[N-])C(=O)N[C@@H](C)CNC(=O)CSC1=NC(=O)NN1	REAL300025017606	0	45	0.0	-22.61	402.49	-4.71	-27.32
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025017614	0	57	0.0	-67.94	451.87	2.53	-65.41
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025017614	1	57	0.0	-63.88	442.71	2.71	-61.17
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300025017655	0	51	0.0	-67.17	430.48	0.27	-66.90
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300025017698	0	55	0.0	-65.49	438.83	2.48	-63.01
CC1=C2C=C(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300025017706	1	46	0.0	-69.52	402.88	2.90	-66.62
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSCC[NH+](C)C	REAL300025017716	0	48	0.0	-73.01	417.43	0.73	-72.28
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300025017726	0	50	0.0	-70.13	409.21	-0.82	-70.95
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@H+]2C1	REAL300025017726	1	50	0.0	-67.82	408.93	-0.84	-68.66
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300025017890	1	48	0.0	-55.58	383.36	1.70	-53.88
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CCO1	REAL300025017914	0	49	0.0	-61.17	393.36	1.42	-59.75
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CCO1	REAL300025017914	1	49	0.0	-50.75	391.12	1.35	-49.40
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CCO1	REAL300025017914	1	49	0.0	-61.17	393.36	1.42	-59.75
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCCCCC1	REAL300025018069	0	57	0.0	-51.16	434.18	3.92	-47.24
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C(C)C	REAL300025018071	0	57	0.0	-65.21	438.10	3.54	-61.67
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C(C)C	REAL300025018071	1	57	0.0	-65.83	430.69	3.61	-62.22
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C(C)C	REAL300025018089	0	54	0.0	-50.90	422.32	3.26	-47.64
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C(C)C	REAL300025018089	1	54	0.0	-51.38	422.31	3.27	-48.11
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300025018104	0	55	0.0	-56.08	430.61	3.89	-52.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300025018104	1	55	0.0	-48.87	430.54	3.88	-44.99
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018121	1	52	0.0	-67.25	430.63	3.77	-63.48
CC1=[NH+]C=CN1CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018144	1	46	0.0	-67.55	393.15	2.66	-64.89
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCCC1	REAL300025018158	0	57	0.0	-73.63	450.04	4.22	-69.41
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300025018171	0	57	0.0	-71.22	426.19	3.37	-67.85
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+]2CCC1CC2	REAL300025018179	0	52	0.0	-61.10	404.46	2.94	-58.16
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300025018212	0	55	0.0	-66.77	419.88	3.59	-63.18
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300025018212	1	55	0.0	-51.49	418.64	3.68	-47.81
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025018222	0	51	0.0	-78.51	401.63	2.01	-76.50
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025018222	1	51	0.0	-53.45	405.95	2.39	-51.06
CC[C@@H]1[C@@H](C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025018226	0	54	0.0	-54.85	419.79	2.84	-52.01
CC[C@@H]1[C@@H](C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025018226	1	54	0.0	-73.67	426.01	3.26	-70.41
CC[N@@H+]1CCOC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025018235	1	52	0.0	-53.41	418.55	2.24	-51.17
CC[N@H+]1CCOC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025018235	1	52	0.0	-71.07	411.78	1.97	-69.10
CC[NH+](CC)CC(F)C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018272	0	53	0.0	-75.23	422.98	2.78	-72.45
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1C(C)CCC1C	REAL300025018328	0	54	0.0	-68.16	422.03	2.92	-65.24
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCC1	REAL300025018332	0	54	0.0	-73.23	434.82	3.56	-69.67
C#CC[NH+]1CCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025018336	0	53	0.0	-78.22	431.72	3.77	-74.45
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCC1	REAL300025018337	0	54	0.0	-56.26	426.64	3.54	-52.72
CC[N@@H+]1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018341	0	54	0.0	-67.14	414.05	3.12	-64.02
CC[N@H+]1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018341	1	54	0.0	-53.06	423.15	3.39	-49.67
CC(C)C[N@@H+]1CCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025018353	0	57	0.0	-56.77	448.26	4.09	-52.68
CC(C)C[N@H+]1CCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025018353	1	57	0.0	-72.89	448.00	4.03	-68.86
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCC1	REAL300025018356	0	51	0.0	-67.52	398.57	2.53	-64.99
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCC[N@@H+]1C(C)C	REAL300025018358	0	57	0.0	-54.04	442.80	3.79	-50.25
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCC[N@H+]1C(C)C	REAL300025018358	1	57	0.0	-52.24	432.56	3.69	-48.55
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C(C)C)[NH+](C)C	REAL300025018368	0	53	0.0	-72.46	409.96	2.86	-69.60
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCC1	REAL300025018403	0	51	0.0	-52.86	409.21	3.12	-49.74
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCC1	REAL300025018403	1	51	0.0	-69.06	409.93	3.03	-66.03
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1C(C)CCC1C	REAL300025018444	0	57	0.0	-65.58	433.07	3.52	-62.06
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018494	1	50	0.0	-71.41	411.59	2.81	-68.60
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018494	1	50	0.0	-52.75	415.88	3.42	-49.33
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@@H+]1C	REAL300025018499	0	54	0.0	-71.21	425.65	3.06	-68.15
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@H+]1C	REAL300025018499	1	54	0.0	-74.98	427.28	3.38	-71.60
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300025018506	0	55	0.0	-59.53	420.48	3.34	-56.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300025018509	0	55	0.0	-66.35	431.59	4.00	-62.35
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300025018509	1	55	0.0	-49.77	424.17	3.63	-46.14
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+]1CCCC1	REAL300025018523	0	57	0.0	-59.64	454.41	4.45	-55.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300025018532	0	51	0.0	-60.42	407.68	2.79	-57.63
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300025018558	1	50	0.0	-77.71	424.11	2.08	-75.63
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300025018580	0	51	0.0	-54.50	396.03	2.57	-51.93
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300025018580	1	51	0.0	-53.07	396.02	2.57	-50.50
CC(C)C[N@@H+]1CCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018597	0	57	0.0	-71.54	442.68	3.70	-67.84
CC(C)C[N@H+]1CCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018597	1	57	0.0	-68.34	449.24	4.12	-64.22
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300025018678	0	46	0.0	-74.14	395.16	4.55	-69.59
CC1=[NH+]C=CN1CCCC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018684	1	52	0.0	-57.09	434.33	4.05	-53.04
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCOCC1	REAL300025018688	1	52	0.0	-77.18	418.98	1.05	-76.13
CC1=C[NH+]=CN1CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018710	1	46	0.0	-72.78	393.71	3.34	-69.44
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+]1CCC2	REAL300025018741	0	52	0.0	-74.30	405.54	3.11	-71.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300025018760	0	57	0.0	-64.73	434.38	3.63	-61.10
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300025018762	0	51	0.0	-73.90	410.84	2.62	-71.28
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300025018762	1	51	0.0	-76.81	411.43	2.62	-74.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300025018772	0	50	0.0	-55.49	413.81	1.94	-53.55
CCC(C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025018776	0	50	0.0	-69.98	394.13	2.05	-67.93
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+](C)C)CCCC1	REAL300025018784	0	57	0.0	-56.57	427.18	3.57	-53.00
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300025018814	1	46	0.0	-79.91	395.43	4.56	-75.35
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+](C)C	REAL300025018857	0	53	0.0	-75.52	429.07	3.17	-72.35
CC(C)C(C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025018873	0	53	0.0	-71.91	408.46	2.50	-69.41
CCC[N@H+](C)CCC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018875	0	53	0.0	-75.01	426.59	2.98	-72.03
CCC[N@@H+](C)CCC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018875	1	53	0.0	-57.26	424.95	3.09	-54.17
CCC[N@H+](C)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018880	0	50	0.0	-71.72	402.94	2.45	-69.27
CCC[N@@H+](C)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018880	1	50	0.0	-72.08	404.22	2.44	-69.64
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300025018900	0	52	0.0	-74.52	405.21	2.24	-72.28
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300025018900	1	52	0.0	-84.50	404.56	2.38	-82.12
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300025018930	0	48	0.0	-53.76	389.70	2.20	-51.56
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300025018930	1	48	0.0	-69.01	384.98	1.58	-67.43
CC[NH+](CC)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025018983	0	50	0.0	-70.52	395.30	2.13	-68.39
CCC[N@@H+]1CCCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025019014	0	57	0.0	-63.73	439.28	4.17	-59.56
CCC[N@H+]1CCCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025019014	1	57	0.0	-55.92	446.83	4.16	-51.76
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(C)CC1	REAL300025019053	0	54	0.0	-53.99	426.31	3.65	-50.34
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CC1	REAL300025019085	0	51	0.0	-70.88	416.97	2.69	-68.19
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C(C)C)CC1	REAL300025019144	0	57	0.0	-57.81	438.61	3.75	-54.06
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300025019159	0	51	0.0	-60.42	407.68	2.79	-57.63
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C(C)C)[NH+](C)C	REAL300025019177	0	53	0.0	-55.86	407.23	2.55	-53.31
CCC(C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025019207	0	56	0.0	-64.61	429.84	3.35	-61.26
CC[N@H+](C)CCC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025019254	0	50	0.0	-74.18	405.09	2.25	-71.93
CC[N@@H+](C)CCC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025019254	1	50	0.0	-56.81	403.45	2.35	-54.46
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300025019300	0	51	0.0	-52.47	401.78	2.53	-49.94
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1C	REAL300025019300	1	51	0.0	-68.77	403.67	2.42	-66.35
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300025019302	0	51	0.0	-53.95	408.67	2.84	-51.11
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)C1	REAL300025019302	1	51	0.0	-53.45	408.61	2.89	-50.56
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025019306	0	54	0.0	-53.45	428.33	3.39	-50.06
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300025019306	1	54	0.0	-53.36	428.73	3.40	-49.96
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300025019307	0	56	0.0	-72.23	434.78	3.58	-68.65
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300025019307	1	56	0.0	-54.19	430.92	3.55	-50.64
CC[C@@H](C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025019315	0	50	0.0	-72.30	395.88	2.12	-70.18
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+](C)C	REAL300025019456	0	44	0.0	-72.07	363.71	1.04	-71.03
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCCC1	REAL300025019460	0	54	0.0	-54.90	414.43	3.20	-51.70
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N+]1=CN(C)C=C1	REAL300025019464	0	46	0.0	-55.15	394.32	4.66	-50.49
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C)C1	REAL300025019470	0	51	0.0	-73.83	407.00	2.57	-71.26
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C)C1	REAL300025019470	1	51	0.0	-72.77	409.59	2.66	-70.11
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300025019475	0	52	0.0	-67.65	419.61	3.48	-64.17
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300025019475	1	52	0.0	-49.82	413.28	2.99	-46.83
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CCC1	REAL300025019498	1	48	0.0	-54.37	393.32	2.09	-52.28
CCC(CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025019502	0	56	0.0	-73.99	435.22	3.52	-70.47
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C[NH+](C)C	REAL300025019509	0	53	0.0	-73.58	409.74	2.77	-70.81
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300025019523	0	53	0.0	-73.42	415.07	3.20	-70.22
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300025019523	1	53	0.0	-75.22	418.13	4.12	-71.10
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(O)CC1	REAL300025019531	1	52	0.0	-57.07	415.90	-0.33	-57.40
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CC1	REAL300025019532	0	48	0.0	-69.83	394.40	2.44	-67.39
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CC1	REAL300025019532	1	48	0.0	-69.26	394.40	2.44	-66.82
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)N1CC[NH+](C)CC1	REAL300025019533	1	56	0.0	-61.06	436.35	0.98	-60.08
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300025019551	0	48	0.0	-57.43	394.80	1.97	-55.46
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300025019555	0	55	0.0	-52.97	428.21	3.66	-49.31
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C1CCCC1	REAL300025019555	1	55	0.0	-72.02	430.27	3.48	-68.54
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025019563	0	54	0.0	-69.46	407.43	2.25	-67.21
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300025019563	1	54	0.0	-53.17	404.00	2.61	-50.56
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300025019574	0	47	0.0	-71.73	382.77	1.43	-70.30
CC(CN(C)C(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300025019581	0	38	0.0	-26.41	340.68	-3.36	-29.77
CCC1CCC[N@H+](CC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025019605	0	57	0.0	-72.00	444.70	4.16	-67.84
CCC1CCC[N@@H+](CC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025019605	1	57	0.0	-53.61	437.31	4.23	-49.38
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300025019612	0	52	0.0	-54.70	429.93	2.32	-52.38
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=CSC1=[NH2+]	REAL300025019653	0	44	0.0	-66.53	390.78	1.22	-65.31
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)CCO	REAL300025019663	0	51	0.0	-57.87	413.80	-0.87	-58.74
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)CCO	REAL300025019663	1	51	0.0	-73.73	415.40	-0.99	-74.72
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300025019664	0	47	0.0	-71.73	382.77	1.43	-70.30
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025019668	0	51	0.0	-66.67	406.97	2.65	-64.02
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300025019668	1	51	0.0	-70.46	395.75	2.44	-68.02
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300025019676	0	54	0.0	-82.31	416.37	-0.06	-82.37
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CC2C	REAL300025019676	1	54	0.0	-74.81	416.50	0.01	-74.80
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC1	REAL300025019736	1	45	0.0	-72.15	375.09	1.45	-70.70
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@H+](C)C1	REAL300025019759	0	49	0.0	-62.75	401.24	2.72	-60.03
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300025019759	1	49	0.0	-62.69	402.20	2.69	-60.00
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCC[NH+](C)C	REAL300025019789	0	51	0.0	-70.78	419.58	2.10	-68.68
C=CCC(C)(C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025019808	0	54	0.0	-64.40	418.35	3.04	-61.36
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)CC[S+](C)C	REAL300025019812	0	50	0.0	-76.29	428.56	0.70	-75.59
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300025019837	0	52	0.0	-52.64	408.44	-0.84	-53.48
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300025019846	0	56	0.0	-70.65	433.84	0.78	-69.87
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300025019846	1	56	0.0	-70.65	433.84	0.78	-69.87
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC(C)C1	REAL300025019863	0	48	0.0	-54.61	394.63	2.25	-52.36
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)C1	REAL300025019863	1	48	0.0	-54.61	394.63	2.25	-52.36
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN(C)CCO	REAL300025019885	0	48	0.0	-73.26	391.80	-1.52	-74.78
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCO	REAL300025019885	1	48	0.0	-71.74	391.58	-1.54	-73.28
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCO	REAL300025019885	1	48	0.0	-71.74	391.58	-1.54	-73.28
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300025019904	0	54	0.0	-86.62	410.60	0.85	-85.77
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CCC2	REAL300025019904	1	54	0.0	-86.62	410.60	0.85	-85.77
CC[N@@H+]1CCCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025019909	0	54	0.0	-70.93	425.94	3.32	-67.61
CC[N@H+]1CCCC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025019909	1	54	0.0	-70.93	425.94	3.32	-67.61
CC(CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025019911	0	53	0.0	-73.65	420.90	3.05	-70.60
CC[N@H+](C)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025019918	0	47	0.0	-71.75	382.72	1.70	-70.05
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300025019937	0	55	0.0	-52.79	420.36	3.53	-49.26
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CCCC2	REAL300025019937	1	55	0.0	-52.79	420.36	3.53	-49.26
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300025019942	0	53	0.0	-69.68	403.10	3.02	-66.66
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300025019942	1	53	0.0	-69.68	403.10	3.02	-66.66
CC[N@H+](CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025019961	0	51	0.0	-52.47	409.46	3.17	-49.30
CC[NH+](CC)CCC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025019973	0	53	0.0	-73.27	417.31	2.68	-70.59
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC(C)(C)C1	REAL300025019992	0	51	0.0	-72.27	415.41	2.60	-69.67
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)(C)C1	REAL300025019992	1	51	0.0	-72.27	415.41	2.60	-69.67
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300025020014	0	52	0.0	-54.22	418.95	-0.45	-54.67
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+](C)C	REAL300025020021	0	48	0.0	-77.98	400.94	2.30	-75.68
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)OCC[NH+](C)C	REAL300025020038	0	54	0.0	-72.85	439.37	2.79	-70.06
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCOCC[NH+](C)C	REAL300025020045	0	54	0.0	-74.55	440.54	1.83	-72.72
COCCN(C)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025020046	0	51	0.0	-71.26	413.83	0.87	-70.39
COCC[N@H+](C)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025020046	1	51	0.0	-73.70	414.05	0.88	-72.82
COCC[N@@H+](C)CC(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025020046	1	51	0.0	-73.70	414.05	0.88	-72.82
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCCC1	REAL300025020070	0	54	0.0	-79.45	412.59	3.35	-76.10
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC(C)[NH+](C)C	REAL300025020073	0	53	0.0	-72.89	420.99	2.77	-70.12
CCN1CCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025020079	0	48	0.0	-69.98	388.56	1.77	-68.21
CC[N@@H+]1CCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025020079	1	48	0.0	-70.47	388.28	1.68	-68.79
CC[N@H+]1CCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025020079	1	48	0.0	-70.47	388.28	1.68	-68.79
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300025020087	0	57	0.0	-62.53	435.89	4.02	-58.51
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300025020087	1	57	0.0	-62.53	435.89	4.02	-58.51
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1CO	REAL300025020098	0	52	0.0	-53.48	412.71	-0.78	-54.26
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300025020118	0	55	0.0	-48.87	430.54	3.88	-44.99
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300025020118	1	55	0.0	-48.87	430.54	3.88	-44.99
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300025020124	0	54	0.0	-65.76	420.51	3.09	-62.67
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C[NH+](C)C)=CN1	REAL300025020130	0	52	0.0	-77.19	430.08	2.31	-74.88
C=CCC(C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025020149	0	51	0.0	-69.39	407.38	2.54	-66.85
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025020158	0	54	0.0	-73.71	419.05	2.69	-71.02
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300025020158	1	54	0.0	-73.03	423.60	2.75	-70.28
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCCC[NH+](C)C	REAL300025020161	0	56	0.0	-74.92	450.57	3.95	-70.97
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC2CC2C1	REAL300025020168	0	49	0.0	-53.59	398.43	3.03	-50.56
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1C(C)C2	REAL300025020191	0	54	0.0	-62.23	415.91	0.17	-62.06
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1C(C)C2	REAL300025020191	1	54	0.0	-71.92	402.98	0.26	-71.66
CCCC(C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025020192	0	53	0.0	-71.28	415.62	2.82	-68.46
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+](C)C	REAL300025020196	0	50	0.0	-76.07	387.01	2.04	-74.03
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300025020229	0	51	0.0	-54.50	396.03	2.57	-51.93
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300025020229	1	51	0.0	-53.07	396.02	2.57	-50.50
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300025020260	0	52	0.0	-61.33	422.50	3.47	-57.86
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300025020260	1	52	0.0	-68.85	422.84	3.37	-65.48
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+]2CCCC2)CC1	REAL300025020268	0	55	0.0	-69.18	428.82	3.77	-65.41
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300025020305	1	51	0.0	-81.34	429.57	2.86	-78.48
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+]1CCCC1	REAL300025020319	0	52	0.0	-76.76	425.55	3.33	-73.43
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300025020337	0	55	0.0	-57.27	436.94	4.21	-53.06
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CC1	REAL300025020354	0	48	0.0	-55.40	385.42	2.57	-52.83
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300025020356	0	51	0.0	-73.86	413.32	2.76	-71.10
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+]2CCN1CC2	REAL300025020388	0	51	0.0	-83.82	401.36	-0.51	-84.33
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300025020396	0	49	0.0	-78.60	395.18	2.39	-76.21
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@H+]2C	REAL300025020396	1	49	0.0	-78.69	394.33	2.27	-76.42
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2CCC1C2	REAL300025020407	0	52	0.0	-68.41	407.65	2.95	-65.46
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2CCC1C2	REAL300025020407	1	52	0.0	-70.13	408.89	2.95	-67.18
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1C[NH+]2CCC1CC2	REAL300025020443	0	53	0.0	-66.87	419.85	3.43	-63.44
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300025020453	1	50	0.0	-53.86	402.22	3.02	-50.84
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300025020453	1	50	0.0	-52.07	402.14	3.11	-48.96
CC[NH+]1CCN(CC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025020479	0	56	0.0	-58.67	439.84	1.33	-57.34
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)C[NH+](C)C	REAL300025020493	0	50	0.0	-63.74	401.91	2.41	-61.33
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@@H+]1C	REAL300025020554	0	54	0.0	-50.51	415.11	3.21	-47.30
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCCC[N@H+]1C	REAL300025020554	1	54	0.0	-76.08	422.96	3.23	-72.85
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)[NH+]1CC(C)C1	REAL300025020568	0	51	0.0	-52.83	412.29	2.84	-49.99
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC1C	REAL300025020570	1	48	0.0	-52.93	394.35	2.26	-50.67
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC1C	REAL300025020570	1	48	0.0	-69.69	390.78	1.84	-67.85
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC(O)C[NH+](C)C	REAL300025020573	0	51	0.0	-77.36	416.41	0.03	-77.33
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CC(C)O1	REAL300025020597	1	52	0.0	-63.03	421.69	2.31	-60.72
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300025020597	1	52	0.0	-53.50	415.19	2.30	-51.20
CCC[N@@H+]1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025020606	0	57	0.0	-53.10	444.66	4.13	-48.97
CCC[N@H+]1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025020606	1	57	0.0	-51.83	435.21	3.96	-47.87
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025020662	0	51	0.0	-55.07	413.10	2.87	-52.20
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)CC[NH+](C)C	REAL300025020669	0	53	0.0	-73.22	423.76	2.93	-70.29
C#CC[N@H+]1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025020690	1	53	0.0	-70.59	420.07	3.57	-67.02
C#CC[N@@H+]1CCCCC1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025020690	1	53	0.0	-68.05	421.56	3.66	-64.39
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CC[NH+](C)CC1	REAL300025020693	1	53	0.0	-59.64	422.49	0.67	-58.97
CC[NH+]1CCN(CC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025020700	0	56	0.0	-58.67	439.84	1.33	-57.34
CC(CN(C)C(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025020870	0	48	0.0	-58.76	370.58	1.66	-57.10
CC(CN(C)C(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025020870	1	48	0.0	-60.11	373.85	1.72	-58.39
CC(CN(C)C(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025020896	1	49	0.0	-54.77	379.40	1.32	-53.45
CC(CN(C)C(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025020896	1	49	0.0	-73.25	388.59	1.08	-72.17
CC1=[NH+]C=CN1CCCC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021053	1	52	0.0	-58.82	434.33	4.02	-54.80
CC(CN(C)C(=O)CC[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021057	1	52	0.0	-67.19	418.36	1.12	-66.07
CC(CN(C)C(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021075	0	52	0.0	-60.21	400.35	2.47	-57.74
CC(CN(C)C(=O)C1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021083	1	46	0.0	-73.67	390.64	4.13	-69.54
CC(CN(C)C(=O)C1CCCC([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021129	0	57	0.0	-69.78	439.16	3.60	-66.18
CC(CN(C)C(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021131	0	51	0.0	-69.34	410.16	2.60	-66.74
CC(CN(C)C(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021131	1	51	0.0	-63.27	409.62	2.69	-60.58
CC(CN(C)C(=O)C1=C[NH+]=CC=C1N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021141	0	50	0.0	-75.78	414.98	0.79	-74.99
CCC(C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025021145	0	50	0.0	-64.78	396.22	2.04	-62.74
CC(CN(C)C(=O)CCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021194	0	53	0.0	-65.26	428.72	3.26	-62.00
CC(C)C(C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025021212	0	53	0.0	-70.48	408.70	2.45	-68.03
CCC[N@H+](C)CCC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021214	0	53	0.0	-65.60	424.95	3.08	-62.52
CCC[N@@H+](C)CCC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021214	1	53	0.0	-66.10	424.69	3.07	-63.03
CCC[N@H+](C)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021219	0	50	0.0	-67.48	404.24	2.36	-65.12
CCC[N@@H+](C)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021219	1	50	0.0	-67.10	402.94	2.37	-64.73
CC(CN(C)C(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021239	0	52	0.0	-70.18	397.27	1.82	-68.36
CC(CN(C)C(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021239	1	52	0.0	-62.75	396.07	1.91	-60.84
CC(CN(C)C(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021288	0	54	0.0	-65.84	426.15	3.54	-62.30
CC(CN(C)C(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021347	0	55	0.0	-61.41	427.26	3.65	-57.76
CC(CN(C)C(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021347	1	55	0.0	-62.29	427.55	3.68	-58.61
CC(CN(C)C(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021356	0	51	0.0	-70.95	410.42	2.70	-68.25
CC(CN(C)C(=O)C1CC[NH+](C(C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021365	0	57	0.0	-67.53	434.79	3.57	-63.96
CC[N@H+](C)CCC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021381	0	50	0.0	-64.82	403.46	2.34	-62.48
CC[N@@H+](C)CCC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021381	1	50	0.0	-65.26	403.19	2.33	-62.93
CC(CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021400	0	57	0.0	-68.83	427.12	3.31	-65.52
CC(CN(C)C(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021408	0	52	0.0	-62.49	395.49	2.45	-60.04
CC(CN(C)C(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021467	0	51	0.0	-65.74	404.07	2.56	-63.18
CC(CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021485	0	53	0.0	-68.70	406.77	2.91	-65.79
CC[NH+](CC)CC(F)C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021565	0	53	0.0	-67.06	424.79	2.74	-64.32
CC(C)C[N@@H+]1CCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025021591	0	57	0.0	-66.85	445.02	3.81	-63.04
CC(C)C[N@H+]1CCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025021591	1	57	0.0	-69.09	449.11	3.80	-65.29
CC(CN(C)C(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021594	0	51	0.0	-68.83	393.65	2.19	-66.64
CCC(C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025021624	0	56	0.0	-62.66	426.26	3.13	-59.53
CC(CN(C)C(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021640	0	51	0.0	-64.28	402.41	2.35	-61.93
CC(CN(C)C(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021640	1	51	0.0	-61.69	409.12	2.72	-58.97
CC(CN(C)C(=O)C(C)[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021685	0	57	0.0	-61.90	427.82	3.65	-58.25
CC(CN(C)C(=O)C1CCCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021687	0	57	0.0	-56.70	429.86	3.24	-53.46
CC(CN(C)C(=O)C1CCCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021687	1	57	0.0	-60.16	435.50	3.47	-56.69
CC(CN(C)C(=O)C1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021705	0	54	0.0	-67.71	414.44	3.40	-64.31
CC(CN(C)C(=O)C1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021705	1	54	0.0	-68.04	416.29	3.33	-64.71
CC(CN(C)C(=O)CC1CCC[N@@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021711	0	57	0.0	-64.15	434.66	3.12	-61.03
CC(CN(C)C(=O)CC1CCC[N@H+]1C(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021711	1	57	0.0	-53.68	429.82	3.58	-50.10
CC(CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021721	0	53	0.0	-66.86	404.94	2.64	-64.22
CC(CN(C)C(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021739	0	51	0.0	-66.43	408.92	2.70	-63.73
CC(CN(C)C(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021739	1	51	0.0	-66.58	408.97	2.71	-63.87
CC(CN(C)C(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021743	0	54	0.0	-66.61	430.56	3.20	-63.41
CC(CN(C)C(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021743	1	54	0.0	-63.42	428.33	3.31	-60.11
CC(CN(C)C(=O)C[N@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021744	0	56	0.0	-63.50	433.14	3.62	-59.88
CC(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021744	1	56	0.0	-67.30	431.55	3.36	-63.94
CC[C@@H](C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025021752	0	50	0.0	-59.34	386.37	1.84	-57.50
CC1=[NH+]C=CN1CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021911	1	46	0.0	-65.91	394.42	2.57	-63.34
CC(CN(C)C(=O)CCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021925	0	57	0.0	-69.02	448.76	4.20	-64.82
CC(CN(C)C(=O)C1=NOC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021937	1	50	0.0	-76.63	419.28	2.26	-74.37
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021963	1	52	0.0	-63.60	429.36	3.70	-59.90
CC(CN(C)C(=O)C1CCCC2CCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021989	0	55	0.0	-65.46	419.81	3.51	-61.95
CC(CN(C)C(=O)C1CCCC2CCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021989	1	55	0.0	-67.27	420.29	3.37	-63.90
CC[N@@H+]1CCOC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025022002	1	52	0.0	-61.99	408.02	1.69	-60.30
CC[N@H+]1CCOC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025022002	1	52	0.0	-61.95	407.33	1.71	-60.24
CC(CN(C)C(=O)C1=CN2C=[NH+]C=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022040	0	46	0.0	-74.69	398.92	4.35	-70.34
CC1=C[NH+]=CN1CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022044	1	46	0.0	-59.59	392.07	3.37	-56.22
CC(CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022053	0	51	0.0	-60.73	381.64	2.54	-58.19
CC(CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022053	1	51	0.0	-60.56	388.03	2.78	-57.78
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025022057	0	54	0.0	-67.65	417.39	2.51	-65.14
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025022057	1	54	0.0	-66.29	419.89	3.06	-63.23
CC(CN(C)C(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022067	0	54	0.0	-63.29	420.44	2.84	-60.45
CC(CN(C)C(=O)CCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022071	0	54	0.0	-69.07	433.54	3.54	-65.53
C#CC[NH+]1CCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025022076	0	53	0.0	-73.90	428.02	3.53	-70.37
CC(CN(C)C(=O)CC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022077	0	54	0.0	-68.84	427.26	3.40	-65.44
CC[N@@H+]1CCCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022082	0	54	0.0	-66.19	411.16	2.72	-63.47
CC[N@H+]1CCCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022082	1	54	0.0	-62.73	421.39	3.29	-59.44
CC(CN(C)C(=O)CC1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022114	0	57	0.0	-65.70	427.19	3.54	-62.16
CC(CN(C)C(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022225	0	51	0.0	-63.30	409.48	3.04	-60.26
CC(CN(C)C(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022225	1	51	0.0	-66.07	411.22	2.93	-63.14
CC(CN(C)C(=O)C(C)[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022242	0	57	0.0	-60.58	433.47	3.28	-57.30
CC(CN(C)C(=O)CCCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022253	0	57	0.0	-69.89	455.04	4.32	-65.57
CC(CN(C)C(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022262	0	51	0.0	-65.74	404.07	2.56	-63.18
CC(CN(C)C(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022296	0	48	0.0	-60.66	384.03	1.85	-58.81
CC(CN(C)C(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022296	1	48	0.0	-65.33	382.53	1.57	-63.76
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022315	1	50	0.0	-62.16	409.32	2.72	-59.44
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022315	1	50	0.0	-61.10	412.04	3.19	-57.91
CC(CN(C)C(=O)CCC1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022320	0	54	0.0	-61.42	425.29	3.13	-58.29
CC(CN(C)C(=O)CCC1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022320	1	54	0.0	-63.67	425.26	3.13	-60.54
CC(CN(C)C(=O)C12CCC[NH+](CCC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022327	0	55	0.0	-69.49	413.01	2.62	-66.87
CC(CN(C)C(=O)C1CCC2CCCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022330	0	55	0.0	-63.31	427.66	3.74	-59.57
CC(CN(C)C(=O)C1CCC2CCCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022330	1	55	0.0	-58.91	427.70	3.86	-55.05
CCC[N@@H+]1CCCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025022389	0	57	0.0	-63.45	436.33	3.91	-59.54
CCC[N@H+]1CCCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025022389	1	57	0.0	-60.72	437.83	4.02	-56.70
CC(CN(C)C(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022422	0	51	0.0	-64.02	392.13	2.07	-61.95
CC(CN(C)C(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022422	1	51	0.0	-66.98	402.60	2.45	-64.53
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022440	0	57	0.0	-64.33	448.94	3.96	-60.37
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022440	1	57	0.0	-60.52	417.86	3.29	-57.23
CC(CN(C)C(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022491	0	51	0.0	-69.61	401.34	2.04	-67.57
CC(CN(C)C(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022491	1	51	0.0	-67.85	399.69	2.35	-65.50
CC(CN(C)C(=O)CCC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022493	0	57	0.0	-60.49	444.67	4.03	-56.46
CC(CN(C)C(=O)CCC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022493	1	57	0.0	-67.05	444.78	3.92	-63.13
CC(CN(C)C(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022570	0	54	0.0	-60.26	423.88	2.73	-57.53
CC(CN(C)C(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022570	1	54	0.0	-62.40	419.71	2.60	-59.80
CC(CN(C)C(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022588	0	47	0.0	-64.29	380.25	1.36	-62.93
C=CCC(C)(C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025022602	0	54	0.0	-62.61	411.14	2.60	-60.01
CC(CN(C)C(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022622	0	51	0.0	-68.63	412.04	2.72	-65.91
CC(CN(C)C(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022632	1	48	0.0	-67.28	393.08	-1.61	-68.89
CC(CN(C)C(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022632	1	48	0.0	-67.16	392.87	-1.62	-68.78
CC(CN(C)C(=O)C1C[N@@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022661	0	54	0.0	-68.77	406.93	0.32	-68.45
CC(CN(C)C(=O)C1C[N@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022661	1	54	0.0	-70.90	406.89	0.29	-70.61
CC(CN(C)C(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022705	0	52	0.0	-61.83	422.50	3.44	-58.39
CC(CN(C)C(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022705	1	52	0.0	-67.24	422.84	3.33	-63.91
CC(CN(C)C(=O)C(O)CC[S+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022719	0	50	0.0	-68.01	424.94	0.40	-67.61
CC(CN(C)C(=O)C1(C)CC(O)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022737	0	52	0.0	-62.55	400.98	-1.93	-64.48
CC(CN(C)C(=O)C1(C)CC(O)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022737	1	52	0.0	-60.70	405.05	-1.47	-62.17
CC(CN(C)C(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022746	0	56	0.0	-66.60	429.58	0.74	-65.86
CC(CN(C)C(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022746	1	56	0.0	-68.36	431.24	0.40	-67.96
CC(CN(C)C(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022774	1	48	0.0	-67.56	396.26	2.04	-65.52
CC[N@@H+]1CCCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025022780	0	54	0.0	-60.13	415.10	3.37	-56.76
CC[N@H+]1CCCC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025022780	1	54	0.0	-64.77	421.77	3.20	-61.57
CC(CN(C)C(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022795	0	52	0.0	-59.92	416.78	3.38	-56.54
CC(CN(C)C(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022795	1	52	0.0	-64.93	412.03	2.94	-61.99
CC(CN(C)C(=O)C=CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022830	0	52	0.0	-70.02	423.45	3.27	-66.75
CC(CN(C)C(=O)C1CC[NH+](C2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022848	0	55	0.0	-66.70	429.56	3.63	-63.07
CC[N@H+](C)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022885	0	47	0.0	-63.67	381.09	1.75	-61.92
CC(CN(C)C(=O)CN1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022928	0	50	0.0	-65.18	403.53	2.96	-62.22
CC(CN(C)C(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022928	1	50	0.0	-65.22	403.21	2.95	-62.27
CC(CN(C)C(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022928	1	50	0.0	-65.22	403.21	2.95	-62.27
CC(CN(C)C(=O)C1C[NH+]2CCN1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022995	0	51	0.0	-67.59	396.61	-0.94	-68.53
CC(CN(C)C(=O)C12CCC[N@@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023028	0	55	0.0	-61.87	411.21	2.74	-59.13
CC(CN(C)C(=O)C12CCC[N@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023028	1	55	0.0	-61.87	411.21	2.74	-59.13
CC(CN(C)C(=O)C12CCC[N@@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023034	0	53	0.0	-61.24	398.88	2.38	-58.86
CC(CN(C)C(=O)C12CCC[N@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023034	1	53	0.0	-61.24	398.88	2.38	-58.86
CC(CN(C)C(=O)C(C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023043	0	54	0.0	-70.05	438.10	2.56	-67.49
CC(CN(C)C(=O)CCOCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023051	0	54	0.0	-70.89	440.54	1.80	-69.09
COCCN(C)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023053	0	51	0.0	-66.68	415.12	0.78	-65.90
COCC[N@H+](C)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023053	1	51	0.0	-63.93	413.43	0.90	-63.03
COCC[N@@H+](C)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023053	1	51	0.0	-63.93	413.43	0.90	-63.03
CC(CN(C)C(=O)CCC(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023058	0	53	0.0	-67.89	421.07	2.75	-65.14
CC[N@H+](CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025023078	0	51	0.0	-65.24	405.11	2.87	-62.37
CC(CN(C)C(=O)C1C[N@@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023091	0	54	0.0	-76.27	402.72	-0.67	-76.94
CC(CN(C)C(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023111	0	49	0.0	-68.03	390.30	2.35	-65.68
CC(CN(C)C(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023124	0	52	0.0	-62.18	409.49	3.16	-59.02
CC(CN(C)C(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023124	1	52	0.0	-62.18	409.49	3.16	-59.02
CC(CN(C)C(=O)C(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023143	0	50	0.0	-66.49	398.23	2.08	-64.41
CC(CN(C)C(=O)C1([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023156	0	48	0.0	-69.28	384.44	1.79	-67.49
CC(CN(C)C(=O)[C@@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023179	0	47	0.0	-67.08	380.45	1.33	-65.75
CC[N@@H+]1CCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023185	1	48	0.0	-67.31	395.04	1.82	-65.49
CC[N@H+]1CCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023185	1	48	0.0	-66.06	387.27	1.60	-64.46
CC(CN(C)C(=O)C1CCC[N@@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023195	0	57	0.0	-60.41	432.40	3.79	-56.62
CC(CN(C)C(=O)C1CCC[N@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023195	1	57	0.0	-62.39	438.51	3.74	-58.65
CCC(C)(C)[NH2+]C(C)C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023205	0	56	0.0	-67.12	428.39	1.58	-65.54
C#CC[N@H+]1CCCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023242	1	53	0.0	-60.57	417.00	3.34	-57.23
C#CC[N@@H+]1CCCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023242	1	53	0.0	-59.05	424.27	3.70	-55.35
CC(CN(C)C(=O)C1=C[NH+]=CC=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023244	0	44	0.0	-69.59	374.34	-1.10	-70.69
CCCC(C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025023253	0	53	0.0	-63.31	414.22	2.62	-60.69
CC(CN(C)C(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023260	0	50	0.0	-67.13	385.94	1.67	-65.46
CC(CN(C)C(=O)C(C)CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023278	0	53	0.0	-70.83	420.13	2.60	-68.23
CC(CN(C)C(=O)C12CC(C1)C[N@@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023330	0	53	0.0	-63.27	416.50	3.62	-59.65
CC(CN(C)C(=O)C12CC(C1)C[N@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023330	1	53	0.0	-68.40	414.03	4.09	-64.31
CC(CN(C)C(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023357	0	54	0.0	-63.60	428.89	3.04	-60.56
CC(CN(C)C(=O)C1CC(C)(C)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023357	1	54	0.0	-66.26	422.96	2.64	-63.62
CC(CN(C)C(=O)CCCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023360	0	56	0.0	-64.69	450.22	4.04	-60.65
CCC[N@@H+]1CCCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023366	0	57	0.0	-62.81	441.27	3.98	-58.83
CCC[N@H+]1CCCCC1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023366	1	57	0.0	-61.74	443.53	3.95	-57.79
CC(CN(C)C(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023375	1	53	0.0	-67.55	422.85	0.47	-67.08
CC(CN(C)C(=O)C1C[N@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023451	1	52	0.0	-62.20	411.43	1.78	-60.42
CC(CN(C)C(=O)C1C[N@@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023451	1	52	0.0	-78.67	409.51	1.55	-77.12
CCC1CCC[N@H+](CC(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025023478	0	57	0.0	-67.30	437.67	4.05	-63.25
CCC1CCC[N@@H+](CC(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025023478	1	57	0.0	-67.17	444.69	4.08	-63.09
CC(CN(C)C(=O)C1=CC=C(C[NH+](C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023486	0	52	0.0	-78.58	426.22	2.43	-76.15
CC(CN(C)C(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023498	0	49	0.0	-63.97	398.70	2.93	-61.04
CC(CN(C)C(=O)CC1([NH+]2CCCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023509	0	55	0.0	-60.98	427.34	3.78	-57.20
CC(CN(C)C(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023540	0	51	0.0	-64.02	392.13	2.07	-61.95
CC(CN(C)C(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023540	1	51	0.0	-66.98	402.60	2.45	-64.53
CC(CN(C)C(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023635	0	49	0.0	-66.86	401.11	2.63	-64.23
CC(CN(C)C(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023635	1	49	0.0	-64.70	401.41	2.64	-62.06
CC(CN(C)C(=O)CNC1=CC=[NH+]C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023640	0	47	0.0	-63.67	399.07	0.34	-63.33
CC(CN(C)C(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300025023680	0	38	0.0	-25.97	340.67	-3.44	-29.41
CC[NH+]1CCN(CC(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025023687	0	56	0.0	-59.94	439.85	1.23	-58.71
CC(CN(C)C(=O)C=C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023690	0	53	0.0	-65.91	419.02	3.38	-62.53
CC(CN(C)C(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023720	0	54	0.0	-76.80	406.89	2.78	-74.02
CCC1C[NH+](CC(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025023730	1	51	0.0	-67.82	416.37	2.81	-65.01
CC(CN(C)C(=O)C1([NH+]2CCCC2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023733	0	55	0.0	-65.76	417.22	3.26	-62.50
CC(CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023744	0	48	0.0	-64.05	384.13	1.46	-62.59
CC(CN(C)C(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023744	1	48	0.0	-63.97	387.90	1.97	-62.00
CC(CN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023865	0	51	0.0	-58.44	412.37	2.80	-55.64
CC(CN(C)C(=O)C1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023876	0	57	0.0	-74.75	437.62	3.53	-71.22
CC(CN(C)C(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023877	0	54	0.0	-73.28	434.00	3.37	-69.91
CC(CN(C)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023878	0	57	0.0	-70.05	433.83	3.51	-66.54
CC(CN(C)C(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023879	0	52	0.0	-65.08	414.68	3.15	-61.93
CC(CN(C)C(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023879	1	52	0.0	-65.08	414.68	3.15	-61.93
CC(CN(C)C(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023929	0	51	0.0	-67.61	419.59	2.08	-65.53
CC(CN(C)C(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023966	0	44	0.0	-65.35	392.06	1.13	-64.22
CC(CN(C)C(=O)[C@@H](C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024030	0	54	0.0	-64.74	434.26	2.54	-62.20
CC(CN(C)C(=O)CC[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024060	0	57	0.0	-65.61	437.11	3.74	-61.87
CC(CN(C)C(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024063	0	51	0.0	-64.36	405.19	2.93	-61.43
CC(CN(C)C(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024065	0	51	0.0	-63.91	397.16	2.51	-61.40
CC(CN(C)C(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024065	1	51	0.0	-63.59	404.38	2.53	-61.06
CC(CN(C)C(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024066	0	54	0.0	-67.75	416.07	3.00	-64.75
CC(CN(C)C(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024071	0	46	0.0	-66.71	394.94	4.47	-62.24
CC(CN(C)C(=O)C1=CC=C(C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024086	1	51	0.0	-77.44	425.75	2.89	-74.55
CC(CN(C)C(=O)C[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024101	1	52	0.0	-71.27	416.53	-0.51	-71.78
CC(CN(C)C(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024105	1	48	0.0	-64.88	392.98	2.38	-62.50
CC(CN(C)C(=O)C(C)N1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024107	1	56	0.0	-68.51	437.27	0.96	-67.55
CC(CN(C)C(=O)CC[N@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024109	1	51	0.0	-71.56	417.28	2.91	-68.65
CCOCC(N=[N+]=[N-])C(=O)N(C)CC(C)NC(=O)CSC1=NC(=O)NN1	REAL300025024125	0	48	0.0	-21.58	410.49	-2.76	-24.34
CC(CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025024131	0	53	0.0	-69.56	420.90	3.01	-66.55
CC(CN(C)C(=O)C1CC[N@@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024143	0	53	0.0	-73.89	420.39	1.11	-72.78
CC(CN(C)C(=O)C1CC[N@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024143	1	53	0.0	-70.09	420.46	1.10	-68.99
CC(CN(C)C(=O)CC1COCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024159	1	52	0.0	-60.95	406.84	0.67	-60.28
CC(CN(C)C(=O)CC1COCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024159	1	52	0.0	-61.00	408.12	0.66	-60.34
CC[NH+]1CCN(CC(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025024166	0	56	0.0	-59.94	439.85	1.23	-58.71
CC(CN(C)C(=O)C[N@@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024250	0	52	0.0	-66.55	420.27	-0.63	-67.18
CC(CN(C)C(=O)C[N@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024250	1	52	0.0	-66.01	419.64	-0.62	-66.63
CC(CN(C)C(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024280	0	48	0.0	-65.65	394.81	1.93	-63.72
CC(CN(C)C(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024284	0	55	0.0	-66.95	436.91	3.90	-63.05
CC(CN(C)C(=O)C1CC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024284	1	55	0.0	-66.35	428.48	3.87	-62.48
CC(CN(C)C(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024292	0	44	0.0	-67.65	363.71	0.96	-66.69
CC(CN(C)C(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024316	0	51	0.0	-66.38	413.54	-0.89	-67.27
CC(CN(C)C(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024316	1	51	0.0	-63.62	413.76	-0.89	-64.51
CC(CN(C)C(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024317	0	47	0.0	-64.29	380.25	1.36	-62.93
CC(CN(C)C(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024334	0	54	0.0	-61.46	415.12	3.18	-58.28
CC(CN(C)C(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024334	1	54	0.0	-58.36	415.46	3.07	-55.29
CC(CN(C)C(=O)C(C)[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024351	0	51	0.0	-68.37	405.29	2.26	-66.11
CC(CN(C)C(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024353	1	48	0.0	-61.68	389.14	1.88	-59.80
CC(CN(C)C(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024353	1	48	0.0	-63.69	394.72	2.15	-61.54
CC(CN(C)C(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024364	0	48	0.0	-71.52	400.14	2.20	-69.32
CC(CN(C)C(=O)C[NH+]1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024374	1	51	0.0	-67.50	414.13	2.53	-64.97
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025024387	1	52	0.0	-63.75	435.22	2.29	-61.46
CC(CN(C)C(=O)CSCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024404	0	51	0.0	-74.70	430.61	2.96	-71.74
CC(CN(C)C(=O)C[N@@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024426	0	52	0.0	-62.85	416.39	-0.29	-63.14
CC(CN(C)C(=O)C[N@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024426	1	52	0.0	-65.97	418.55	-0.48	-66.45
CC[NH+](CC)CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024430	0	50	0.0	-61.81	399.18	2.43	-59.38
CC(CN(C)C(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024440	1	45	0.0	-68.10	375.09	1.37	-66.73
CC[NH+](CC)CCC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024478	0	53	0.0	-68.44	421.67	2.93	-65.51
CC(CN(C)C(=O)C1=CC(C[NH+](C)C)=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024532	0	52	0.0	-67.05	424.93	2.74	-64.31
CC(CN(C)C(=O)C1CC2COCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024552	0	53	0.0	-62.98	420.68	1.34	-61.64
CC(CN(C)C(=O)C1CC2COCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024552	1	53	0.0	-68.98	418.53	1.18	-67.80
CC(CN(C)C(=O)C(C)[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024562	1	48	0.0	-64.93	390.58	1.90	-63.03
CCC(CC(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025024567	0	56	0.0	-67.45	435.14	3.60	-63.85
CC(CN(C)C(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024575	0	53	0.0	-61.45	400.16	2.24	-59.21
CC(CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024625	0	51	0.0	-58.03	399.17	2.51	-55.52
CC(CN(C)C(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024625	1	51	0.0	-66.48	396.53	2.26	-64.22
CC(CN(C)C(=O)C1C[N@@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024637	0	54	0.0	-59.83	411.55	-0.46	-60.29
CC(CN(C)C(=O)C1C[N@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024637	1	54	0.0	-60.61	408.42	-0.48	-61.09
CC(CN(C)C(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024657	0	51	0.0	-66.59	415.96	0.07	-66.52
CC(CN(C)C(=O)C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024659	0	55	0.0	-67.03	400.90	3.15	-63.88
C=CCC(C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025024687	0	51	0.0	-62.18	406.18	2.33	-59.85
CC(CN(C)C(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024693	0	55	0.0	-61.41	427.26	3.65	-57.76
CC(CN(C)C(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024693	1	55	0.0	-62.29	427.55	3.68	-58.61
CC(CN(C)C(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024704	0	54	0.0	-72.53	412.99	2.54	-69.99
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC(N)=[NH2+]	REAL300025024729	0	42	0.0	-74.93	372.24	-2.09	-77.02
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC([NH+](C)C)CC1	REAL300025024765	0	57	0.0	-53.46	435.38	3.82	-49.64
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300025024766	0	54	0.0	-81.50	440.71	3.58	-77.92
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300025024767	0	57	0.0	-61.76	435.65	3.84	-57.92
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@@H+]1C	REAL300025024768	0	52	0.0	-75.20	414.93	3.10	-72.10
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@H+]1C	REAL300025024768	1	52	0.0	-75.20	414.93	3.10	-72.10
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)OCC[NH+](C)C	REAL300025024789	0	54	0.0	-60.56	438.75	2.89	-57.67
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300025024812	0	55	0.0	-73.95	401.85	3.34	-70.61
CCC1C[NH+](CC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025024902	1	51	0.0	-55.09	415.74	3.00	-52.09
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+]2CCCC2)CCC1	REAL300025024904	0	55	0.0	-51.34	424.02	3.87	-47.47
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300025024911	1	48	0.0	-52.80	389.15	2.18	-50.62
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+]1CCC(F)C1	REAL300025024918	1	51	0.0	-59.42	417.55	2.96	-56.46
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCCC1	REAL300025024932	0	57	0.0	-76.22	437.73	3.66	-72.56
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCC1	REAL300025024934	0	51	0.0	-71.79	407.10	2.92	-68.87
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300025024942	0	51	0.0	-74.34	410.29	2.44	-71.90
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300025024942	1	51	0.0	-72.07	410.21	2.44	-69.63
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@@H+]1C	REAL300025024944	0	57	0.0	-72.14	445.11	3.96	-68.18
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@H+]1C	REAL300025024944	1	57	0.0	-78.39	437.68	3.76	-74.63
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]2CCOCC12	REAL300025024965	0	53	0.0	-56.33	418.87	1.36	-54.97
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]2CCOCC12	REAL300025024965	1	53	0.0	-56.39	418.47	1.47	-54.92
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCCN1C	REAL300025024981	0	52	0.0	-56.35	406.48	0.82	-55.53
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@@H+]1C	REAL300025024981	1	52	0.0	-70.29	406.84	0.71	-69.58
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1COCC[N@H+]1C	REAL300025024981	1	52	0.0	-56.35	406.48	0.82	-55.53
CC1=C(C)[NH+]=C(CCC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025024988	1	52	0.0	-51.96	433.59	2.43	-49.53
CCOCC(N=[N+]=[N-])C(=O)NC(C)CN(C)C(=O)CSC1=NC(=O)NN1	REAL300025024992	0	48	0.0	-25.93	416.89	-2.67	-28.60
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSCC[NH+](C)C	REAL300025025056	0	51	0.0	-78.94	430.60	2.97	-75.97
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300025025062	0	53	0.0	-57.15	421.89	1.46	-55.69
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@H+]2C1	REAL300025025062	1	53	0.0	-70.92	422.11	1.39	-69.53
C[N@@H+]1CCCC1C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025163	0	55	0.0	-64.71	435.92	2.34	-62.37
C[N@H+]1CCCC1C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025163	1	55	0.0	-65.60	432.40	2.80	-62.80
CCC(C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025025263	0	57	0.0	-66.92	436.83	2.68	-64.24
CCC[N@H+](C)CC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025268	0	57	0.0	-68.41	449.47	2.79	-65.62
CCC[N@@H+](C)CC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025268	1	57	0.0	-68.34	449.47	2.80	-65.54
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025276	0	55	0.0	-65.65	430.16	1.93	-63.72
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025276	1	55	0.0	-64.95	431.79	2.68	-62.27
CC[NH+](CC)CC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025281	0	57	0.0	-66.44	437.70	2.82	-63.62
CC[N@H+](C)CCC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025337	0	57	0.0	-69.80	450.33	2.58	-67.22
CC[N@@H+](C)CCC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025337	1	57	0.0	-69.47	446.22	2.95	-66.52
CC[C@@H](C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025025340	0	57	0.0	-68.12	443.86	2.56	-65.56
C[NH+](C)CC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025358	0	51	0.0	-68.46	406.12	1.73	-66.73
CC(C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025025362	1	55	0.0	-66.51	438.43	2.47	-64.04
C[N@H+](CC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025025368	0	55	0.0	-65.01	435.39	3.14	-61.87
C[N@@H+](CC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025025368	1	55	0.0	-65.82	439.64	2.79	-63.03
C[NH+]1CC(CC(=O)NC2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025025374	0	55	0.0	-68.44	437.56	2.55	-65.89
C[C@@H](C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025025381	0	54	0.0	-67.86	428.33	1.78	-66.08
[N-]=[N+]=NCC(=O)NC1CCCCC1CNC(=O)CSC1=NC(=O)NN1	REAL300025025384	0	45	0.0	-25.08	387.20	-3.01	-28.09
C[C@@H](C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025025402	0	54	0.0	-67.86	428.33	1.78	-66.08
C[C@H](C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025025431	0	54	0.0	-65.60	424.26	2.15	-63.45
CC1C[NH+](CC(=O)NC2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025025437	1	55	0.0	-68.44	441.49	2.48	-65.96
CC[N@H+](C)CC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025454	0	54	0.0	-68.05	427.97	2.04	-66.01
CC[N@@H+](C)CC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025454	1	54	0.0	-67.93	427.97	2.06	-65.87
C[NH+](C)CC=CC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025470	0	55	0.0	-73.60	446.19	2.61	-70.99
CC[N@@H+]1CCC1C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025476	1	55	0.0	-65.78	434.06	2.24	-63.54
CC[N@H+]1CCC1C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025476	1	55	0.0	-67.09	437.75	2.75	-64.34
C[NH+](C)C(C)(C)C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025489	0	57	0.0	-68.45	432.31	2.84	-65.61
C[NH+](C)C1(C(=O)NC2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025025511	0	55	0.0	-69.87	429.31	2.87	-67.00
CC(C[NH+](C)C)C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025533	0	57	0.0	-69.11	444.52	3.00	-66.11
CC1CC[N@@H+]1CC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025542	1	55	0.0	-66.09	431.92	2.55	-63.54
CC1CC[N@H+]1CC(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025025542	1	55	0.0	-67.57	441.54	2.47	-65.10
C[N@@H+]1CCCC1C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025651	0	55	0.0	-73.66	426.06	2.27	-71.39
C[N@H+]1CCCC1C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025651	1	55	0.0	-71.28	435.27	2.45	-68.83
CCC(C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025025722	0	57	0.0	-71.36	440.62	2.37	-68.99
CCC[N@H+](C)CC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025726	0	57	0.0	-74.65	449.46	2.79	-71.86
CCC[N@@H+](C)CC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025726	1	57	0.0	-74.65	449.46	2.79	-71.86
CC[N@H+](C)CCC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025743	0	57	0.0	-76.38	450.32	2.58	-73.80
CC[N@@H+](C)CCC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025743	1	57	0.0	-76.34	450.32	2.59	-73.75
CC[C@@H](C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025025783	0	57	0.0	-71.11	436.52	2.73	-68.38
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025829	0	55	0.0	-73.61	426.11	2.27	-71.34
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025829	1	55	0.0	-71.05	431.12	2.80	-68.25
C[C@@H](C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025025883	0	54	0.0	-72.77	424.21	2.12	-70.65
CC1C[NH+](CC(=O)NCC2CCCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025025907	1	55	0.0	-75.05	436.20	2.88	-72.17
CC[N@H+](C)CC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025925	0	54	0.0	-74.35	427.95	2.04	-72.31
CC[N@@H+](C)CC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025925	1	54	0.0	-74.38	427.96	2.04	-72.34
CC(C[NH+](C)C)C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025955	0	57	0.0	-68.57	448.42	2.75	-65.82
C[NH+](C)C1(C(=O)NCC2CCCCC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025025958	0	55	0.0	-77.95	432.88	2.37	-75.58
C[C@H](C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025025962	0	54	0.0	-72.99	428.36	1.79	-71.20
CC[N@@H+]1CCC1C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025965	1	55	0.0	-74.33	441.88	2.35	-71.98
CC[N@H+]1CCC1C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025965	1	55	0.0	-73.59	437.74	2.75	-70.84
C[NH+](C)C(C)(C)C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025025973	0	57	0.0	-80.05	437.93	2.51	-77.54
[N-]=[N+]=NCC(=O)NCC1CCCCC1NC(=O)CSC1=NC(=O)NN1	REAL300025026019	0	45	0.0	-24.76	383.09	-2.68	-27.44
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025026032	0	55	0.0	-71.50	436.13	2.42	-69.08
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025026032	1	55	0.0	-74.40	430.20	1.91	-72.49
C[N@H+](CC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025026069	0	55	0.0	-71.47	439.49	2.79	-68.68
C[N@@H+](CC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025026069	1	55	0.0	-71.57	439.50	2.79	-68.78
C[NH+]1CC(CC(=O)NCC2CCCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025026097	0	55	0.0	-75.55	441.67	2.21	-73.34
C[NH+](C)CC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025026100	0	51	0.0	-74.91	410.22	1.38	-73.53
C[C@@H](C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025026103	0	54	0.0	-72.77	424.21	2.12	-70.65
CC1CC[N@@H+]1CC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025026110	1	55	0.0	-72.01	431.90	2.54	-69.47
CC1CC[N@H+]1CC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025026110	1	55	0.0	-73.29	437.43	2.80	-70.49
C[NH+](C)CC=CC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025026111	0	55	0.0	-79.20	446.19	2.60	-76.60
CC[NH+](CC)CC(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025026117	0	57	0.0	-73.14	441.80	2.45	-70.69
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCC1CNC(=O)C[NH+]1CCC1	REAL300025026118	1	52	0.0	-74.65	416.21	2.15	-72.50
CC(C(=O)NCC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025026140	1	55	0.0	-71.72	434.31	2.80	-68.92
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026208	0	55	0.0	-65.34	436.02	2.43	-62.91
C[N@H+]1CCC[C@H]1C(=O)NC1CCCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026208	1	55	0.0	-68.50	426.14	2.29	-66.21
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300025026390	0	48	0.0	-70.48	395.49	1.41	-69.07
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300025026390	1	48	0.0	-69.84	393.07	1.45	-68.39
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300025026414	1	49	0.0	-76.17	396.52	0.69	-75.48
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300025026414	1	49	0.0	-84.97	402.51	0.83	-84.14
CC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300025026569	0	57	0.0	-69.75	438.90	3.30	-66.45
CC(C)[N@@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026571	0	57	0.0	-66.64	442.04	3.06	-63.58
CC(C)[N@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026571	1	57	0.0	-66.63	441.45	3.03	-63.60
CC(C)[N@@H+]1CCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026589	0	54	0.0	-67.54	424.59	2.41	-65.13
CC(C)[N@H+]1CCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026589	1	54	0.0	-70.15	418.23	2.68	-67.47
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300025026604	0	55	0.0	-74.74	434.05	3.11	-71.63
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300025026604	1	55	0.0	-74.52	436.72	3.20	-71.32
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026621	1	52	0.0	-67.78	435.97	3.30	-64.48
CC1=[NH+]C=CN1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026644	1	46	0.0	-69.29	399.47	2.15	-67.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCCC1	REAL300025026658	0	57	0.0	-74.25	455.36	3.80	-70.45
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+]1CCCCC1	REAL300025026671	0	57	0.0	-70.66	432.51	2.88	-67.78
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCC1CC2	REAL300025026679	0	52	0.0	-79.47	407.47	2.09	-77.38
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300025026712	0	55	0.0	-70.39	427.17	2.98	-67.41
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC2CCC[N@H+]21	REAL300025026712	1	55	0.0	-68.30	422.34	2.69	-65.61
C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025026722	0	51	0.0	-77.09	405.20	1.49	-75.60
C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025026722	1	51	0.0	-75.87	412.11	1.81	-74.06
CC[C@@H]1[C@@H](C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025026726	0	54	0.0	-74.48	427.67	2.16	-72.32
CC[C@@H]1[C@@H](C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025026726	1	54	0.0	-74.22	428.36	2.43	-71.79
CC[N@@H+]1CCOC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025026735	1	52	0.0	-82.40	421.37	1.49	-80.91
CC[N@H+]1CCOC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025026735	1	52	0.0	-74.28	414.30	1.35	-72.93
CC[NH+](CC)CC(F)C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026772	0	53	0.0	-74.09	431.31	2.45	-71.64
CC1CCC(C)[NH+]1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026828	0	54	0.0	-68.59	427.04	2.44	-66.15
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCC1	REAL300025026832	0	54	0.0	-74.04	440.14	3.14	-70.90
C#CC[NH+]1CCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025026836	0	53	0.0	-78.64	434.62	3.13	-75.51
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCC1	REAL300025026837	0	54	0.0	-74.18	433.86	2.99	-71.19
CC[N@@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026841	0	54	0.0	-68.08	427.61	2.72	-65.36
CC[N@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026841	1	54	0.0	-68.18	427.83	2.72	-65.46
CC(C)C[N@@H+]1CCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025026853	0	57	0.0	-72.90	451.33	3.43	-69.47
CC(C)C[N@H+]1CCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025026853	1	57	0.0	-74.91	452.43	3.38	-71.53
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300025026856	0	51	0.0	-75.86	402.15	1.79	-74.07
CC(C)[N@@H+]1CCCC1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026858	0	57	0.0	-65.39	438.99	3.13	-62.26
CC(C)[N@H+]1CCCC1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026858	1	57	0.0	-65.61	439.39	3.12	-62.49
CC(C)[C@@H](C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025026868	0	53	0.0	-71.49	414.90	2.26	-69.23
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300025026903	0	51	0.0	-70.78	416.43	2.53	-68.25
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300025026903	1	51	0.0	-70.55	416.26	2.52	-68.03
CC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300025026944	0	57	0.0	-66.95	440.07	2.88	-64.07
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026994	1	50	0.0	-70.15	415.77	2.33	-67.82
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025026994	1	50	0.0	-71.03	421.82	2.69	-68.34
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL300025026999	0	54	0.0	-72.57	432.25	2.62	-69.95
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL300025026999	1	54	0.0	-76.81	437.70	3.09	-73.72
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+](CCC1)C2	REAL300025027006	0	55	0.0	-73.55	417.68	2.25	-71.30
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300025027009	0	55	0.0	-67.75	434.64	3.34	-64.41
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCCC[N@H+]21	REAL300025027009	1	55	0.0	-69.02	431.12	3.04	-65.98
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+]1CCCC1	REAL300025027023	0	57	0.0	-74.66	461.64	3.92	-70.74
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300025027032	0	51	0.0	-77.86	411.58	2.04	-75.82
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300025027058	1	50	0.0	-80.54	425.67	1.87	-78.67
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300025027080	0	51	0.0	-69.20	410.44	2.14	-67.06
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300025027080	1	51	0.0	-69.19	410.69	2.15	-67.04
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027097	0	57	0.0	-71.00	448.42	3.19	-67.81
CC(C)C[N@H+]1CCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027097	1	57	0.0	-69.88	451.10	3.57	-66.31
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300025027178	0	46	0.0	-77.06	405.11	3.93	-73.13
CC1=[NH+]C=CN1CCCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027184	1	52	0.0	-71.00	441.29	3.51	-67.49
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCOCC1	REAL300025027188	1	52	0.0	-77.44	425.32	0.60	-76.84
CC1=C[NH+]=CN1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027210	1	46	0.0	-71.91	399.03	2.86	-69.05
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[NH+]1CCC2	REAL300025027241	0	52	0.0	-68.05	407.91	1.93	-66.12
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC([NH+](C)C)C1	REAL300025027260	0	57	0.0	-67.60	437.71	2.97	-64.63
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300025027262	0	51	0.0	-76.02	416.76	2.20	-73.82
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300025027262	1	51	0.0	-76.04	416.58	2.19	-73.85
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027272	0	50	0.0	-80.01	421.85	0.38	-79.63
CCC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025027276	0	50	0.0	-69.43	397.78	1.45	-67.98
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1([NH+](C)C)CCCC1	REAL300025027284	0	57	0.0	-76.21	434.15	3.03	-73.18
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300025027314	1	46	0.0	-79.16	397.37	3.73	-75.43
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300025027357	0	53	0.0	-75.96	435.68	2.74	-73.22
CC(C)C(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025027373	0	53	0.0	-71.70	413.95	2.16	-69.54
CCC[N@H+](C)CCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027375	0	53	0.0	-75.54	431.91	2.57	-72.97
CCC[N@@H+](C)CCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027375	1	53	0.0	-75.47	431.64	2.55	-72.92
CCC[N@H+](C)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027380	0	50	0.0	-72.69	409.26	1.95	-70.74
CCC[N@@H+](C)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027380	1	50	0.0	-72.60	409.54	1.97	-70.63
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@H+](C1)CCC2	REAL300025027400	0	52	0.0	-80.43	402.44	1.36	-79.07
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300025027400	1	52	0.0	-79.37	401.70	1.42	-77.95
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300025027430	0	48	0.0	-69.84	395.08	1.40	-68.44
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300025027430	1	48	0.0	-71.73	388.90	1.09	-70.64
CC[NH+](CC)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027483	0	50	0.0	-70.82	401.63	1.62	-69.20
CCC[N@@H+]1CCCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025027514	0	57	0.0	-66.49	442.93	3.50	-62.99
CCC[N@H+]1CCCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025027514	1	57	0.0	-72.93	449.09	3.32	-69.61
CC1CC[NH+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025027553	0	54	0.0	-73.25	433.11	3.04	-70.21
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300025027585	0	51	0.0	-73.79	417.74	2.15	-71.64
CC(C)[NH+]1CCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025027644	0	57	0.0	-74.96	442.25	3.00	-71.96
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300025027659	0	51	0.0	-77.86	411.58	2.04	-75.82
CC(C)[C@H](C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025027677	0	53	0.0	-69.71	410.49	1.96	-67.75
CCC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025027707	0	56	0.0	-68.04	431.57	2.67	-65.37
CC[N@H+](C)CCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027754	0	50	0.0	-74.74	410.41	1.83	-72.91
CC[N@@H+](C)CCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027754	1	50	0.0	-74.67	410.14	1.81	-72.86
CC1CCC[N@@H+]1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027800	0	51	0.0	-69.46	416.34	2.23	-67.23
CC1CCC[N@H+]1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025027800	1	51	0.0	-69.27	408.74	1.93	-67.34
CC1CC[N@H+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025027802	0	51	0.0	-71.92	415.53	2.31	-69.61
CC1CC[N@@H+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025027802	1	51	0.0	-71.97	416.40	2.30	-69.67
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025027806	0	54	0.0	-71.84	435.38	2.82	-69.02
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300025027806	1	54	0.0	-71.70	435.28	2.81	-68.89
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300025027807	0	56	0.0	-72.52	440.10	3.11	-69.41
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300025027807	1	56	0.0	-72.69	438.15	2.96	-69.73
CC[C@@H](C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025027815	0	50	0.0	-69.44	397.78	1.45	-67.99
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300025027956	0	44	0.0	-73.02	370.31	0.56	-72.46
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCCC1	REAL300025027960	0	54	0.0	-72.06	421.12	2.60	-69.46
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300025027964	0	46	0.0	-70.33	401.55	4.07	-66.26
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300025027970	0	51	0.0	-66.60	403.49	2.09	-64.51
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300025027970	1	51	0.0	-66.61	403.78	2.11	-64.50
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300025027975	0	52	0.0	-68.06	424.28	2.89	-65.17
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C1CC1	REAL300025027975	1	52	0.0	-70.24	419.53	2.39	-67.85
CC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025027998	0	48	0.0	-70.43	395.99	1.45	-68.98
CCC(CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025028002	0	56	0.0	-68.07	445.35	3.23	-64.84
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300025028009	0	53	0.0	-68.95	407.80	1.76	-67.19
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300025028023	0	53	0.0	-72.31	423.11	2.86	-69.45
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300025028023	1	53	0.0	-72.11	424.70	2.79	-69.32
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(O)CC1	REAL300025028031	0	52	0.0	-77.21	423.13	-0.92	-78.13
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300025028032	0	48	0.0	-69.66	399.58	1.97	-67.69
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300025028032	1	48	0.0	-69.64	399.58	1.98	-67.66
CC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300025028033	1	56	0.0	-74.19	444.58	0.40	-73.79
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300025028051	0	48	0.0	-74.01	401.76	1.42	-72.59
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300025028055	0	55	0.0	-70.52	436.11	3.03	-67.49
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300025028055	1	55	0.0	-70.77	435.39	2.94	-67.83
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025028063	0	54	0.0	-69.56	412.03	1.52	-68.04
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300025028063	1	54	0.0	-69.77	430.02	2.17	-67.60
C[C@@H](C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025028074	0	47	0.0	-71.20	386.86	0.97	-70.23
CN(CCCNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300025028081	0	38	0.0	-24.83	347.27	-3.84	-28.67
CCC1CCC[N@H+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025028105	0	57	0.0	-73.07	444.28	3.63	-69.44
CCC1CCC[N@@H+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025028105	1	57	0.0	-72.90	451.28	3.68	-69.22
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300025028112	0	52	0.0	-86.13	431.54	2.26	-83.87
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=CSC1=[NH2+]	REAL300025028153	0	44	0.0	-69.06	397.11	0.73	-68.33
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300025028163	0	51	0.0	-74.62	420.49	-1.41	-76.03
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300025028163	1	51	0.0	-74.11	420.71	-1.40	-75.51
C[C@@H](C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025028164	0	47	0.0	-71.20	386.86	0.97	-70.23
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025028168	0	51	0.0	-69.13	410.71	2.15	-66.98
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300025028168	1	51	0.0	-70.31	398.74	1.66	-68.65
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025028176	0	54	0.0	-78.46	419.48	-0.83	-79.29
CC1CN2CC[N@H+]1CC2C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025028176	1	54	0.0	-77.97	419.97	-0.80	-78.77
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300025028236	1	45	0.0	-72.88	380.14	0.96	-71.92
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300025028259	0	49	0.0	-76.60	408.08	2.10	-74.50
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300025028259	1	49	0.0	-76.68	407.38	2.15	-74.53
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300025028289	0	51	0.0	-73.10	426.19	1.68	-71.42
C=CCC(C)(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025028308	0	54	0.0	-66.42	416.37	2.17	-64.25
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)CC[S+](C)C	REAL300025028312	0	50	0.0	-79.93	429.99	-0.01	-79.94
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300025028337	0	52	0.0	-70.05	409.15	-2.04	-72.09
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CC[N@H+](C)C1	REAL300025028346	0	56	0.0	-71.34	439.12	0.07	-71.27
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CN(C)CC[N@@H+](C)C1	REAL300025028346	1	56	0.0	-71.34	439.12	0.07	-71.27
CC1CN(CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025028363	0	48	0.0	-72.86	401.31	1.63	-71.23
CC1C[NH+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025028363	1	48	0.0	-72.86	401.31	1.63	-71.23
CN(CCO)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025028385	0	48	0.0	-73.17	398.13	-2.02	-75.19
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300025028385	1	48	0.0	-73.06	397.90	-2.03	-75.09
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300025028385	1	48	0.0	-73.06	397.90	-2.03	-75.09
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+]2CCN1CCC2	REAL300025028404	0	54	0.0	-79.41	415.66	-0.25	-79.66
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+]2CCN1CCC2	REAL300025028404	1	54	0.0	-79.41	415.66	-0.25	-79.66
CC[N@@H+]1CCCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025028409	0	54	0.0	-66.26	422.45	2.84	-63.42
CC[N@H+]1CCCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025028409	1	54	0.0	-66.26	422.45	2.84	-63.42
CC(CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025028411	0	53	0.0	-74.99	427.50	2.61	-72.38
CC[N@H+](C)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025028418	0	47	0.0	-72.29	388.05	1.23	-71.06
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300025028437	0	55	0.0	-67.81	418.50	2.44	-65.37
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@H+]1CCCC2	REAL300025028437	1	55	0.0	-67.81	418.50	2.44	-65.37
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300025028442	0	53	0.0	-67.45	411.73	2.32	-65.13
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300025028442	1	53	0.0	-67.45	411.73	2.32	-65.13
CC[N@H+](CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025028461	0	51	0.0	-69.69	416.82	2.58	-67.11
CC[NH+](CC)CCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025028473	0	53	0.0	-74.15	423.91	2.24	-71.91
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC(C)(C)C1	REAL300025028492	0	51	0.0	-72.90	420.73	2.13	-70.77
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300025028492	1	51	0.0	-72.90	420.73	2.13	-70.77
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300025028514	0	52	0.0	-73.06	426.71	-1.05	-74.11
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300025028521	0	48	0.0	-77.60	405.18	1.78	-75.82
CC(OCC[NH+](C)C)C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025028538	0	54	0.0	-73.81	442.37	2.16	-71.65
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCOCC[NH+](C)C	REAL300025028545	0	54	0.0	-73.90	447.13	1.40	-72.50
COCCN(C)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025028546	0	51	0.0	-72.78	420.15	0.37	-72.41
COCC[N@H+](C)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025028546	1	51	0.0	-73.46	420.38	0.38	-73.08
COCC[N@@H+](C)CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025028546	1	51	0.0	-73.46	420.38	0.38	-73.08
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCCC1	REAL300025028570	0	54	0.0	-76.39	411.33	2.19	-74.20
CC(CCC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025028573	0	53	0.0	-73.09	427.66	2.35	-70.74
CC[N@@H+]1CCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025028579	0	48	0.0	-72.28	400.45	1.44	-70.84
CC(C)[N@@H+]1CCCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025028587	0	57	0.0	-71.28	445.68	3.17	-68.11
CC(C)[N@H+]1CCCC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025028587	1	57	0.0	-71.28	445.68	3.17	-68.11
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCCC1CO	REAL300025028598	0	52	0.0	-71.64	425.16	-0.88	-72.52
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@@H+]2C1	REAL300025028618	0	55	0.0	-74.52	436.72	3.20	-71.32
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC[N@H+]2C1	REAL300025028618	1	55	0.0	-74.52	436.72	3.20	-71.32
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC[NH+](C)CC1	REAL300025028624	0	54	0.0	-71.90	418.32	2.13	-69.77
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C[NH+](C)C)=CN1	REAL300025028630	0	52	0.0	-78.70	432.35	2.18	-76.52
C=CCC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025028649	0	51	0.0	-68.80	411.23	1.94	-66.86
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025028658	0	54	0.0	-70.59	428.84	2.24	-68.35
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300025028658	1	54	0.0	-70.59	428.84	2.24	-68.35
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCCC[NH+](C)C	REAL300025028661	0	56	0.0	-75.22	457.18	3.52	-71.70
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300025028668	0	49	0.0	-72.62	405.66	2.43	-70.19
CC1C[N@@H+]2CCN1C(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025028691	0	54	0.0	-80.76	419.54	-0.76	-81.52
CCCC(C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025028692	0	53	0.0	-70.21	419.27	2.21	-68.00
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300025028696	0	50	0.0	-75.30	389.00	1.59	-73.71
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300025028729	0	51	0.0	-69.19	410.69	2.15	-67.04
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300025028729	1	51	0.0	-69.19	410.69	2.15	-67.04
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@H+](C)CC1	REAL300025028760	0	52	0.0	-69.99	429.45	2.93	-67.06
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300025028760	1	52	0.0	-69.99	429.45	2.93	-67.06
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1([NH+]2CCCC2)CC1	REAL300025028768	0	55	0.0	-70.73	434.30	3.27	-67.46
CN(C)CC1=CC=C(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025028805	0	51	0.0	-82.10	432.15	2.48	-79.62
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300025028805	1	51	0.0	-82.10	432.15	2.48	-79.62
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300025028819	0	52	0.0	-76.57	430.05	2.87	-73.70
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300025028837	0	55	0.0	-75.56	435.98	3.23	-72.33
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300025028856	0	51	0.0	-74.23	418.64	2.32	-71.91
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+]2CCN1CC2	REAL300025028888	0	51	0.0	-80.10	402.99	-1.33	-81.43
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300025028896	0	49	0.0	-75.21	396.49	1.79	-73.42
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300025028907	0	52	0.0	-69.62	414.86	2.48	-67.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2CCC1C2	REAL300025028907	1	52	0.0	-69.62	414.86	2.48	-67.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1C[NH+]2CCC1CC2	REAL300025028943	0	53	0.0	-68.68	425.63	2.97	-65.71
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC2C=CC1C2	REAL300025028953	0	50	0.0	-69.06	409.14	2.43	-66.63
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025028953	1	50	0.0	-68.81	409.65	2.45	-66.36
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300025028953	1	50	0.0	-68.81	409.65	2.45	-66.36
CC(C[NH+](C)C)C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025028993	0	50	0.0	-74.57	403.53	1.56	-73.01
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@@H+]1C	REAL300025029054	0	54	0.0	-75.93	429.30	2.79	-73.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@H+]1C	REAL300025029054	1	54	0.0	-75.93	429.30	2.79	-73.14
CC1CC[N@@H+]1CC(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025029070	0	48	0.0	-70.50	396.09	1.36	-69.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(O)C[NH+](C)C	REAL300025029073	0	51	0.0	-78.29	422.91	-0.37	-78.66
CC1CN(C)CC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025029097	0	52	0.0	-86.28	416.46	1.14	-85.14
CC1C[N@H+](C)CC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025029097	1	52	0.0	-76.95	416.75	1.38	-75.57
CC1C[N@@H+](C)CC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025029097	1	52	0.0	-76.95	416.75	1.38	-75.57
CCC[N@@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025029106	0	57	0.0	-69.58	437.96	3.05	-66.53
CCC[N@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025029106	1	57	0.0	-69.58	437.96	3.05	-66.53
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025029162	0	51	0.0	-74.26	419.46	2.31	-71.95
CC(CC[NH+](C)C)C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025029169	0	53	0.0	-74.56	425.17	2.18	-72.38
C#CC[N@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025029190	1	53	0.0	-70.01	424.00	2.85	-67.16
C#CC[N@@H+]1CCCCC1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025029190	1	53	0.0	-71.33	428.47	2.99	-68.34
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC[NH+](C)CC1	REAL300025029193	1	53	0.0	-73.21	429.45	0.07	-73.14
CC[NH+]1CCN(CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025029200	0	56	0.0	-71.84	446.80	0.72	-71.12
CN(CCCNC(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029370	0	48	0.0	-68.07	390.34	1.19	-66.88
CN(CCCNC(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029370	1	48	0.0	-70.37	390.33	1.19	-69.18
CN(CCCNC(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029396	1	49	0.0	-78.60	407.42	1.07	-77.53
CN(CCCNC(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029396	1	49	0.0	-69.76	400.31	0.92	-68.84
CC1=[NH+]C=CN1CCCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029553	1	52	0.0	-69.38	441.29	3.54	-65.84
CN(CCCNC(=O)CC[NH+]1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029557	1	52	0.0	-75.06	425.59	0.64	-74.42
CN(CCCNC(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029575	0	52	0.0	-68.94	414.77	2.61	-66.33
CN(CCCNC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029583	1	46	0.0	-76.12	400.48	4.14	-71.98
CN(CCCNC(=O)C1CCCC([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029629	0	57	0.0	-67.01	442.36	3.29	-63.72
CN(CCCNC(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029631	0	51	0.0	-73.42	416.64	2.22	-71.20
CN(CCCNC(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029631	1	51	0.0	-74.61	416.85	2.23	-72.38
CN(C)C1=CC=[NH+]C=C1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029641	0	50	0.0	-76.44	420.93	1.43	-75.01
CCC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025029645	0	50	0.0	-68.17	400.97	1.63	-66.54
CN(CCCNC(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029694	0	53	0.0	-74.37	435.68	2.77	-71.60
CC(C)C(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025029712	0	53	0.0	-69.37	418.09	2.35	-67.02
CCC[N@H+](C)CCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029714	0	53	0.0	-73.02	431.64	2.57	-70.45
CCC[N@@H+](C)CCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029714	1	53	0.0	-73.03	431.91	2.60	-70.43
CCC[N@H+](C)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029719	0	50	0.0	-70.26	409.54	2.05	-68.21
CCC[N@@H+](C)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029719	1	50	0.0	-70.20	409.27	2.02	-68.18
CN(CCCNC(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029739	0	52	0.0	-76.67	412.25	1.87	-74.80
CN(CCCNC(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029739	1	52	0.0	-71.77	411.96	1.85	-69.92
CC1CC[NH+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025029788	0	54	0.0	-70.54	433.27	3.13	-67.41
CN(CCCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029847	0	55	0.0	-69.03	437.86	3.39	-65.64
CN(CCCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029847	1	55	0.0	-68.52	437.63	3.38	-65.14
CN(CCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029856	0	51	0.0	-68.32	420.70	2.33	-65.99
CC(C)[NH+]1CCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025029865	0	57	0.0	-71.45	445.56	3.24	-68.21
CC[N@H+](C)CCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029881	0	50	0.0	-72.25	410.14	1.84	-70.41
CC[N@@H+](C)CCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029881	1	50	0.0	-72.22	410.41	1.86	-70.36
CN(CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029900	0	57	0.0	-67.50	439.42	3.59	-63.91
CN(CCCNC(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029908	0	52	0.0	-73.07	411.41	2.42	-70.65
CN(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029967	0	51	0.0	-74.05	414.64	2.28	-71.77
CC(C)[C@H](C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025029985	0	53	0.0	-66.55	416.24	2.48	-64.07
CC[NH+](CC)CC(F)C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030065	0	53	0.0	-71.24	427.44	2.26	-68.98
CC(C)C[N@@H+]1CCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025030091	0	57	0.0	-71.55	455.17	3.58	-67.97
CC(C)C[N@H+]1CCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025030091	1	57	0.0	-71.64	456.28	3.59	-68.05
CN(CCCNC(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030094	0	51	0.0	-72.10	400.89	2.16	-69.94
CCC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025030124	0	56	0.0	-63.89	436.45	2.93	-60.96
CC1CCC[N@@H+]1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030140	0	51	0.0	-67.05	416.08	2.27	-64.78
CC1CCC[N@H+]1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030140	1	51	0.0	-67.28	415.47	2.41	-64.87
CC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300025030185	0	57	0.0	-67.37	441.14	3.40	-63.97
CC(C)[N@@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030187	0	57	0.0	-65.07	443.43	3.13	-61.94
CC(C)[N@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030187	1	57	0.0	-65.18	443.38	3.13	-62.05
CC(C)[N@@H+]1CCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030205	0	54	0.0	-68.50	423.19	2.91	-65.59
CC(C)[N@H+]1CCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030205	1	54	0.0	-65.82	429.09	2.76	-63.06
CC(C)[N@@H+]1CCCC1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030211	0	57	0.0	-62.27	439.26	3.15	-59.12
CC(C)[N@H+]1CCCC1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030211	1	57	0.0	-69.22	449.37	3.24	-65.98
CC(C)[C@@H](C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025030221	0	53	0.0	-69.06	417.69	2.87	-66.19
CC1CC[N@H+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025030239	0	51	0.0	-69.51	416.38	2.38	-67.13
CC1CC[N@@H+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025030239	1	51	0.0	-69.35	415.70	2.31	-67.04
CN(CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030243	0	54	0.0	-69.49	435.60	2.87	-66.62
CN(CCCNC(=O)C[N@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030243	1	54	0.0	-69.32	435.35	2.88	-66.44
CN(CCCNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030244	0	56	0.0	-69.90	439.83	3.17	-66.73
CN(CCCNC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030244	1	56	0.0	-69.94	437.88	3.02	-66.92
CC[C@@H](C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025030252	0	50	0.0	-67.88	400.28	1.64	-66.24
CC1=[NH+]C=CN1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030411	1	46	0.0	-67.20	399.75	2.25	-64.95
CN(CCCNC(=O)CCC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030425	0	57	0.0	-72.43	455.09	3.82	-68.61
CN(CCCNC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030437	1	50	0.0	-79.68	429.16	1.65	-78.03
CC(C)C1=[NH+]C=CN1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030463	1	52	0.0	-65.90	435.69	3.34	-62.56
CN(CCCNC(=O)C1CCCC2CCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030489	0	55	0.0	-65.76	426.47	3.19	-62.57
CN(CCCNC(=O)C1CCCC2CCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030489	1	55	0.0	-63.48	434.59	3.45	-60.03
CC[N@@H+]1CCOC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025030502	1	52	0.0	-74.88	418.35	1.58	-73.30
CC[N@H+]1CCOC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025030502	1	52	0.0	-69.10	418.38	1.57	-67.53
CN(CCCNC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030540	0	46	0.0	-72.34	400.21	4.11	-68.23
CC1=C[NH+]=CN1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030544	1	46	0.0	-70.79	398.76	2.93	-67.86
C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025030553	0	51	0.0	-71.09	407.98	1.81	-69.28
C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025030553	1	51	0.0	-70.34	412.36	2.15	-68.19
CC[C@@H]1[C@@H](C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025030557	0	54	0.0	-71.32	427.33	2.31	-69.01
CC[C@@H]1[C@@H](C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025030557	1	54	0.0	-72.28	432.50	2.61	-69.67
CC1CCC(C)[NH+]1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030567	0	54	0.0	-66.18	427.08	2.50	-63.68
CN(CCCNC(=O)CCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030571	0	54	0.0	-72.18	439.87	3.15	-69.03
C#CC[NH+]1CCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025030576	0	53	0.0	-76.14	439.82	3.49	-72.65
CN(CCCNC(=O)CC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030577	0	54	0.0	-71.64	433.59	3.02	-68.62
CC[N@@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030582	0	54	0.0	-67.24	420.68	2.72	-64.52
CC[N@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030582	1	54	0.0	-66.78	430.10	2.86	-63.92
CN(CCCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030614	0	57	0.0	-73.30	433.87	3.05	-70.25
CN(CCCNC(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030725	0	51	0.0	-68.36	416.17	2.59	-65.77
CN(CCCNC(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030725	1	51	0.0	-68.00	416.54	2.62	-65.38
CC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300025030742	0	57	0.0	-64.14	439.67	3.12	-61.02
CN(CCCNC(=O)CCCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030753	0	57	0.0	-73.02	461.37	3.93	-69.09
CN(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030762	0	51	0.0	-74.05	414.64	2.28	-71.77
CN(CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030796	0	48	0.0	-67.10	396.33	1.69	-65.41
CN(CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030796	1	48	0.0	-67.96	390.07	1.18	-66.78
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030815	1	50	0.0	-68.30	416.67	2.40	-65.90
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030815	1	50	0.0	-67.78	422.59	2.91	-64.87
CN(CCCNC(=O)CCC1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030820	0	54	0.0	-71.47	432.27	2.66	-68.81
CN(CCCNC(=O)CCC1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030820	1	54	0.0	-74.28	437.70	3.13	-71.15
CN(CCCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030827	0	55	0.0	-71.94	427.43	2.82	-69.12
CN(CCCNC(=O)C1CCC2CCCC[N@@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030830	0	55	0.0	-65.14	438.19	3.58	-61.56
CN(CCCNC(=O)C1CCC2CCCC[N@H+]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030830	1	55	0.0	-64.89	438.16	3.57	-61.32
CCC[N@@H+]1CCCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025030889	0	57	0.0	-70.43	454.04	3.66	-66.77
CCC[N@H+]1CCCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025030889	1	57	0.0	-70.75	453.79	3.64	-67.11
CN(CCCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030922	0	51	0.0	-67.55	402.70	2.04	-65.51
CN(CCCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030922	1	51	0.0	-68.54	402.68	2.04	-66.50
CC(C)C[N@@H+]1CCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030940	0	57	0.0	-68.74	444.74	3.90	-64.84
CC(C)C[N@H+]1CCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030940	1	57	0.0	-66.95	449.27	3.29	-63.66
CC1C(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025030991	0	51	0.0	-70.77	411.21	1.85	-68.92
CC1C(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025030991	1	51	0.0	-71.77	416.52	2.02	-69.75
CN(CCCNC(=O)CCC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030993	0	57	0.0	-71.19	451.34	3.55	-67.64
CN(CCCNC(=O)CCC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030993	1	57	0.0	-70.68	451.39	3.55	-67.13
CN(CCCNC(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031070	0	54	0.0	-67.51	415.66	1.81	-65.70
CN(CCCNC(=O)C1CC[N@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031070	1	54	0.0	-68.31	414.74	2.13	-66.18
C[C@@H](C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025031088	0	47	0.0	-69.40	388.15	1.01	-68.39
C=CCC(C)(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025031102	0	54	0.0	-69.22	423.92	3.53	-65.69
CN(CCCNC(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031122	0	51	0.0	-71.70	418.37	2.35	-69.35
CN(CCCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031132	1	48	0.0	-71.19	398.40	-1.94	-73.13
CN(CCCNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031132	1	48	0.0	-70.34	398.18	-1.94	-72.28
CN(CCCNC(=O)C1C[N@@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031161	0	54	0.0	-73.70	418.21	-0.07	-73.77
CN(CCCNC(=O)C1C[N@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031161	1	54	0.0	-76.30	416.85	0.42	-75.88
CN(CCCNC(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031205	0	52	0.0	-71.61	429.45	2.96	-68.65
CN(CCCNC(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031205	1	52	0.0	-70.04	429.18	2.95	-67.09
CN(CCCNC(=O)C(O)CC[S+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031219	0	50	0.0	-76.95	435.16	0.29	-76.66
CN(CCCNC(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031237	0	52	0.0	-70.72	418.19	-0.94	-71.66
CN(CCCNC(=O)C1(C)CC(O)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031237	1	52	0.0	-74.58	419.60	-1.21	-75.79
CN(CCCNC(=O)C1CN(C)CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031246	0	56	0.0	-68.89	442.31	0.81	-68.08
CN(CCCNC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031246	1	56	0.0	-69.58	440.17	0.78	-68.80
CC1C[NH+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025031274	1	48	0.0	-70.35	401.31	1.71	-68.64
CC[N@@H+]1CCCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025031280	0	54	0.0	-69.72	432.29	2.90	-66.82
CC[N@H+]1CCCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025031280	1	54	0.0	-70.19	432.30	2.90	-67.29
CN(CCCNC(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031295	0	52	0.0	-65.09	426.17	3.14	-61.95
CN(CCCNC(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031295	1	52	0.0	-68.83	420.73	2.50	-66.33
CN(CCCNC(=O)C=CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031330	0	52	0.0	-74.70	430.60	2.90	-71.80
CN(CCCNC(=O)C1CC[NH+](C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031348	0	55	0.0	-72.99	439.49	3.49	-69.50
CC[N@H+](C)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031385	0	47	0.0	-69.76	387.78	1.29	-68.47
CN(CCCNC(=O)CN1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031428	0	50	0.0	-68.21	409.43	2.60	-65.61
CN(CCCNC(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031428	1	50	0.0	-67.07	409.13	2.49	-64.58
CN(CCCNC(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031428	1	50	0.0	-67.07	409.13	2.49	-64.58
CN(CCCNC(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031495	0	51	0.0	-74.10	406.32	-0.92	-75.02
CN(CCCNC(=O)C12CCC[N@@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031528	0	55	0.0	-66.22	425.77	3.20	-63.02
CN(CCCNC(=O)C12CCC[N@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031528	1	55	0.0	-66.22	425.77	3.20	-63.02
CN(CCCNC(=O)C12CCC[N@@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031534	0	53	0.0	-65.62	418.97	2.96	-62.66
CN(CCCNC(=O)C12CCC[N@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031534	1	53	0.0	-65.62	418.97	2.96	-62.66
CC(OCC[NH+](C)C)C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031543	0	54	0.0	-72.43	445.98	2.38	-70.05
CN(CCCNC(=O)CCOCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031551	0	54	0.0	-72.61	447.13	1.44	-71.17
COCCN(C)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031553	0	51	0.0	-70.03	420.43	0.47	-69.56
COCC[N@H+](C)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031553	1	51	0.0	-71.38	420.65	0.47	-70.91
COCC[N@@H+](C)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031553	1	51	0.0	-71.38	420.65	0.47	-70.91
CC(CCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025031558	0	53	0.0	-71.88	427.60	2.36	-69.52
CC[N@H+](CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025031578	0	51	0.0	-67.16	416.42	2.64	-64.52
CC1C[N@@H+]2CCN1C(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025031591	0	54	0.0	-78.28	423.30	-0.31	-78.59
CC1C[N@H+]2CCN1C(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025031591	1	54	0.0	-78.28	423.30	-0.31	-78.59
CN(CCCNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031611	0	49	0.0	-72.48	402.36	1.83	-70.65
CN(CCCNC(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031624	0	52	0.0	-67.21	414.48	2.54	-64.67
CN(CCCNC(=O)C[N@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031624	1	52	0.0	-67.21	414.48	2.54	-64.67
CC(C[NH+](C)C)C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031643	0	50	0.0	-71.99	408.72	1.91	-70.08
CCN1CCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031685	0	48	0.0	-67.65	394.84	1.34	-66.31
CC[N@@H+]1CCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031685	1	48	0.0	-69.26	401.68	1.65	-67.61
CC[N@H+]1CCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031685	1	48	0.0	-69.26	401.68	1.65	-67.61
CC(C)[N@@H+]1CCCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025031695	0	57	0.0	-68.89	448.95	3.41	-65.48
CC(C)[N@H+]1CCCC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025031695	1	57	0.0	-68.89	448.95	3.41	-65.48
CCC(C)(C)[NH2+]C(C)C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031705	0	56	0.0	-68.47	435.75	1.28	-67.19
C#CCN1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031742	0	53	0.0	-65.83	437.58	3.43	-62.40
C#CC[N@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031742	1	53	0.0	-65.85	437.59	3.43	-62.42
C#CC[N@@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031742	1	53	0.0	-65.85	437.59	3.43	-62.42
CCCC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025031753	0	53	0.0	-69.34	422.23	2.41	-66.93
CN(CCCNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031760	0	50	0.0	-72.46	397.55	1.83	-70.63
CC(CC[NH+](C)C)C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031778	0	53	0.0	-72.82	430.36	2.54	-70.28
CN(CCCNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031830	0	53	0.0	-68.44	428.36	3.95	-64.49
CN(CCCNC(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031857	0	54	0.0	-69.76	430.21	2.35	-67.41
CN(CCCNC(=O)C1CC(C)(C)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031857	1	54	0.0	-69.76	430.21	2.35	-67.41
CN(CCCNC(=O)CCCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031860	0	56	0.0	-74.12	457.18	3.56	-70.56
CCC[N@@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031866	0	57	0.0	-67.11	451.59	3.62	-63.49
CCC[N@H+]1CCCCC1C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031866	1	57	0.0	-67.11	451.59	3.62	-63.49
CN(CCCNC(=O)CN1CCN(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031875	0	53	0.0	-73.10	429.45	0.14	-72.96
CN(CCCNC(=O)CN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031875	1	53	0.0	-73.10	429.45	0.14	-72.96
CC1CN(C)CC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025031951	0	52	0.0	-76.50	421.80	1.67	-74.83
CC1C[N@H+](C)CC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025031951	1	52	0.0	-70.16	421.76	1.68	-68.48
CC1C[N@@H+](C)CC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025031951	1	52	0.0	-70.16	421.76	1.68	-68.48
CCC1CCC[N@H+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025031978	0	57	0.0	-70.16	451.30	3.75	-66.41
CCC1CCC[N@@H+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025031978	1	57	0.0	-70.16	451.30	3.75	-66.41
CN(CCCNC(=O)CC1([NH+]2CCCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032009	0	55	0.0	-68.53	434.03	3.28	-65.25
CN(CCCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032040	0	51	0.0	-68.54	402.68	2.04	-66.50
CN(CCCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032135	0	49	0.0	-75.33	408.21	2.20	-73.13
CN(CCCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032135	1	49	0.0	-75.33	408.21	2.20	-73.13
CN(CCCNC(=O)CNC1=CC=[NH+]C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032140	0	47	0.0	-70.93	405.76	-0.11	-71.04
CN(CCCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300025032180	0	38	0.0	-24.41	347.26	-3.77	-28.18
CC[NH+]1CCN(CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025032187	0	56	0.0	-71.47	446.80	0.80	-70.67
CN(CCCNC(=O)C=C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032190	0	53	0.0	-68.79	426.45	3.02	-65.77
CN(CCCNC(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032220	0	54	0.0	-73.64	421.43	2.84	-70.80
CCC1C[NH+](CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025032230	1	51	0.0	-71.08	422.71	2.47	-68.61
CN(CCCNC(=O)C1([NH+]2CCCC2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032233	0	55	0.0	-68.16	430.06	3.32	-64.84
CN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032244	0	48	0.0	-68.09	390.36	1.19	-66.90
CN(CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032244	1	48	0.0	-66.59	395.74	1.58	-65.01
CN(CCCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032365	0	51	0.0	-70.78	419.77	2.34	-68.44
CN(CCCNC(=O)C1CCC([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032376	0	57	0.0	-74.98	448.86	3.45	-71.53
CN(CCCNC(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032377	0	54	0.0	-69.92	446.06	3.18	-66.74
CN(CCCNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032378	0	57	0.0	-65.81	442.61	3.33	-62.48
CN(CCCNC(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032379	0	52	0.0	-73.40	421.53	2.69	-70.71
CN(CCCNC(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032379	1	52	0.0	-73.40	421.53	2.69	-70.71
CN(CCCNC(=O)COCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032429	0	51	0.0	-71.44	426.19	1.69	-69.75
CN(CCCNC(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300025032466	0	44	0.0	-66.35	397.39	0.81	-65.54
C[C@@H](OCC[NH+](C)C)C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032530	0	54	0.0	-69.28	445.71	2.37	-66.91
CN(CCCNC(=O)CC[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032560	0	57	0.0	-73.62	444.34	3.26	-70.36
CN(CCCNC(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032563	0	51	0.0	-69.60	412.15	2.51	-67.09
CN(CCCNC(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032565	0	51	0.0	-65.97	408.35	2.44	-63.53
CN(CCCNC(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032565	1	51	0.0	-71.45	414.63	2.24	-69.21
CN(CCCNC(=O)C[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032566	0	54	0.0	-69.20	421.40	2.69	-66.51
CN(CCCNC(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032571	0	46	0.0	-68.11	401.28	4.13	-63.98
CN(CCCNC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032586	1	51	0.0	-76.88	434.63	2.43	-74.45
CN(CCCNC(=O)C[NH+]1CCC(O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032601	1	52	0.0	-74.13	422.86	-0.86	-74.99
CN(CCCNC(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032605	1	48	0.0	-67.70	399.45	2.02	-65.68
CC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300025032607	1	56	0.0	-72.00	443.57	0.47	-71.53
CN(CCCNC(=O)CC[N@H+]1CCC(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032609	1	51	0.0	-74.16	424.91	2.45	-71.71
CCOCC(N=[N+]=[N-])C(=O)NCCCN(C)C(=O)CSC1=NC(=O)NN1	REAL300025032625	0	48	0.0	-24.24	423.50	-3.08	-27.32
CC(CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025032631	0	53	0.0	-73.17	427.50	2.63	-70.54
CN(CCCNC(=O)C1CC[N@@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032643	0	53	0.0	-67.75	425.15	0.94	-66.81
CN(CCCNC(=O)C1CC[N@H+]2CCOCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032643	1	53	0.0	-69.23	425.27	0.94	-68.29
CN(CCCNC(=O)CC1COCCN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032659	0	52	0.0	-68.67	413.17	0.29	-68.38
CN(CCCNC(=O)CC1COCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032659	1	52	0.0	-66.15	413.18	0.29	-65.86
CN(CCCNC(=O)CC1COCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032659	1	52	0.0	-68.67	413.17	0.29	-68.38
CC[NH+]1CCN(CC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025032666	0	56	0.0	-71.47	446.80	0.80	-70.67
CN(CCCNC(=O)C[N@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032750	1	52	0.0	-70.77	426.56	-0.96	-71.73
CN(CCCNC(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032780	0	48	0.0	-72.85	401.76	1.46	-71.39
CN(CCCNC(=O)C1CC[N@@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032784	0	55	0.0	-70.04	442.48	3.58	-66.46
CN(CCCNC(=O)C1CC[N@H+]1C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032784	1	55	0.0	-68.27	436.09	3.06	-65.21
CN(CCCNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032792	0	44	0.0	-70.77	370.31	0.63	-70.14
CN(CCCNC(=O)CC[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032816	0	51	0.0	-71.88	420.49	-1.39	-73.27
CN(CCCNC(=O)CC[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032816	1	51	0.0	-72.16	420.74	-1.39	-73.55
C[C@@H](C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025032817	0	47	0.0	-69.40	388.15	1.01	-68.39
CN(CCCNC(=O)CC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032834	0	54	0.0	-73.16	429.30	2.80	-70.36
CN(CCCNC(=O)CC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032834	1	54	0.0	-72.66	429.28	2.81	-69.85
CC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025032851	0	51	0.0	-67.67	420.39	2.28	-65.39
CC1CCN1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032853	0	48	0.0	-69.39	401.65	1.71	-67.68
CC1CC[N@@H+]1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032853	1	48	0.0	-68.35	396.10	1.45	-66.90
CC1CC[N@H+]1CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032853	1	48	0.0	-69.39	401.65	1.71	-67.68
CN(CCCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032864	0	48	0.0	-75.99	406.28	1.85	-74.14
CN(CCCNC(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032874	1	51	0.0	-70.44	420.65	2.24	-68.20
CC1=C(C)[NH+]=C(CCC(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025032887	1	52	0.0	-66.76	440.55	1.92	-64.84
CN(CCCNC(=O)CSCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032904	0	51	0.0	-77.25	437.21	2.56	-74.69
CN(CCCNC(=O)C[N@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032926	1	52	0.0	-68.80	425.16	-0.82	-69.62
CC[NH+](CC)CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032930	0	50	0.0	-68.21	406.41	2.00	-66.21
CN(CCCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032940	1	45	0.0	-70.39	380.41	1.06	-69.33
CC[NH+](CC)CCC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032978	0	53	0.0	-71.34	428.26	2.56	-68.78
CN(CCCNC(=O)C1=CC(C[NH+](C)C)=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033032	0	52	0.0	-75.68	436.69	1.91	-73.77
CN(CCCNC(=O)C1CC2COCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033052	0	53	0.0	-70.89	428.73	1.02	-69.87
CN(CCCNC(=O)C1CC2COCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033052	1	53	0.0	-72.63	429.06	0.96	-71.67
CC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025033062	1	48	0.0	-67.78	400.05	1.55	-66.23
CCC(CC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025033067	0	56	0.0	-66.71	445.55	3.25	-63.46
CN(CCCNC(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033075	0	53	0.0	-65.83	417.85	2.33	-63.50
CN(CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033125	1	51	0.0	-67.57	402.71	2.04	-65.53
CC1CN2CC[N@H+]1CC2C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033137	1	54	0.0	-76.67	421.42	-0.51	-77.18
CN(CCCNC(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033157	0	51	0.0	-76.21	423.02	-0.36	-76.57
CN(CCCNC(=O)C1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033159	0	55	0.0	-69.79	413.25	3.18	-66.61
C=CCC(C(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025033187	0	51	0.0	-67.53	413.99	2.11	-65.42
CN(CCCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033193	0	55	0.0	-69.03	437.86	3.39	-65.64
CN(CCCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033193	1	55	0.0	-68.52	437.63	3.38	-65.14
CN(CCCNC(=O)C1(C)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033204	0	54	0.0	-67.63	427.30	2.69	-64.94
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300025033229	0	42	0.0	-75.42	378.23	-2.41	-77.83
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC([NH+](C)C)CC1	REAL300025033265	0	57	0.0	-78.84	444.22	3.12	-75.72
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CC[NH+](C)C)CC1	REAL300025033266	0	54	0.0	-77.26	440.24	2.86	-74.40
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300025033267	0	57	0.0	-68.56	439.16	3.07	-65.49
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@@H+]1C	REAL300025033268	0	52	0.0	-76.79	421.37	2.65	-74.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@H+]1C	REAL300025033268	1	52	0.0	-76.79	421.37	2.65	-74.14
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025033289	0	54	0.0	-71.17	440.86	2.14	-69.03
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCC(C1)[NH+]2C	REAL300025033312	0	55	0.0	-71.51	407.20	2.60	-68.91
CCC1C[NH+](CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025033402	0	51	0.0	-73.64	422.97	2.41	-71.23
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+]2CCCC2)CCC1	REAL300025033404	0	55	0.0	-72.57	426.15	2.83	-69.74
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025033411	0	48	0.0	-72.38	389.40	1.09	-71.29
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300025033411	1	48	0.0	-69.14	392.69	1.38	-67.76
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+]1CCC(F)C1	REAL300025033418	1	51	0.0	-79.34	424.51	2.41	-76.93
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCCC1	REAL300025033432	0	57	0.0	-76.06	444.07	3.22	-72.84
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300025033434	0	51	0.0	-72.38	412.15	2.44	-69.94
CC1C(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025033442	0	51	0.0	-76.05	412.28	1.83	-74.22
CC1C(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025033442	1	51	0.0	-74.75	406.98	1.84	-72.91
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@@H+]1C	REAL300025033444	0	57	0.0	-71.93	451.62	3.52	-68.41
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCCC[N@H+]1C	REAL300025033444	1	57	0.0	-72.32	451.39	3.52	-68.80
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300025033465	0	53	0.0	-77.43	425.71	0.72	-76.71
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]2CCOCC12	REAL300025033465	1	53	0.0	-77.82	425.77	0.70	-77.12
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCCN1C	REAL300025033481	0	52	0.0	-69.40	413.45	0.27	-69.13
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCC[N@@H+]1C	REAL300025033481	1	52	0.0	-69.45	413.17	0.25	-69.20
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCC[N@H+]1C	REAL300025033481	1	52	0.0	-69.40	413.45	0.27	-69.13
CC1=C(C)[NH+]=C(CCC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025033488	1	52	0.0	-68.76	440.28	1.87	-66.89
CCOCC(N=[N+]=[N-])C(=O)N(C)CCCNC(=O)CSC1=NC(=O)NN1	REAL300025033492	0	48	0.0	-24.68	420.22	-3.27	-27.95
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSCC[NH+](C)C	REAL300025033556	0	51	0.0	-79.30	437.21	2.56	-76.74
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2COCC[N@@H+]2C1	REAL300025033562	0	53	0.0	-75.49	425.36	0.74	-74.75
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2COCC[N@H+]2C1	REAL300025033562	1	53	0.0	-75.52	424.95	0.72	-74.80
C[N@H+]1CCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025033723	1	49	0.0	-66.73	395.54	0.81	-65.92
CN1CCOC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025033747	0	50	0.0	-74.64	412.90	0.61	-74.03
C[N@@H+]1CCOC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025033747	1	50	0.0	-72.13	398.05	1.01	-71.12
C[N@H+]1CCOC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025033747	1	50	0.0	-74.64	412.90	0.61	-74.03
CC(C)[N@@H+]1CCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025033891	0	55	0.0	-64.15	427.06	2.67	-61.48
CC(C)[N@H+]1CCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025033891	1	55	0.0	-63.13	433.65	2.28	-60.85
CC1=[NH+]C=CN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025033914	1	47	0.0	-65.47	402.02	2.40	-63.07
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1C[NH+]2CCC1CC2)C1CC1	REAL300025033934	0	53	0.0	-70.29	413.84	2.59	-67.70
C[C@@H]1[C@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300025033962	0	52	0.0	-71.51	404.39	1.71	-69.80
C[C@@H]1[C@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300025033962	1	52	0.0	-66.88	415.46	1.77	-65.11
CC[C@@H]1[C@@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300025033964	0	55	0.0	-69.67	428.33	2.41	-67.26
CC[C@@H]1[C@@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300025033964	1	55	0.0	-69.32	430.74	2.66	-66.66
CCN1CCOC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025033969	0	53	0.0	-73.09	430.69	1.25	-71.84
CC[N@@H+]1CCOC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025033969	1	53	0.0	-70.89	415.56	1.68	-69.21
CC[N@H+]1CCOC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025033969	1	53	0.0	-73.09	430.69	1.25	-71.84
CC1CCC(C)[NH+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034014	0	55	0.0	-65.15	432.52	2.25	-62.90
O=C(CCC[NH+]1CCCC1)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034016	0	55	0.0	-68.53	442.41	3.31	-65.22
O=C(CC[NH+]1CCCCC1)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034019	0	55	0.0	-68.87	439.51	2.68	-66.19
CC[N@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034022	1	55	0.0	-64.68	433.03	2.39	-62.29
C[NH+](C)C1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCC1	REAL300025034032	0	52	0.0	-64.72	405.82	2.40	-62.32
CC(C)[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025034038	0	54	0.0	-66.05	421.72	2.30	-63.75
C[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300025034056	0	52	0.0	-67.37	418.81	2.77	-64.60
C[N@@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300025034056	1	52	0.0	-66.90	421.63	2.24	-64.66
C#CCN1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034110	0	51	0.0	-67.30	423.94	3.06	-64.24
C#CC[N@H+]1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034110	1	51	0.0	-66.55	411.30	2.25	-64.30
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034110	1	51	0.0	-67.30	423.94	3.06	-64.24
C[N@@H+]1CCCC1CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034115	0	55	0.0	-70.78	439.96	3.26	-67.52
C[N@H+]1CCCC1CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034115	1	55	0.0	-68.11	434.51	2.81	-65.30
C[NH+]1CCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025034131	0	52	0.0	-70.19	417.15	2.45	-67.74
C[N@@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034158	0	52	0.0	-66.42	408.17	1.68	-64.74
C[N@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034158	1	52	0.0	-65.94	406.04	1.59	-64.35
O=C(CC[NH+]1CCOCC1)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034211	1	53	0.0	-73.00	427.85	0.78	-72.22
CC1=C[NH+]=CN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034223	1	47	0.0	-68.77	401.31	3.08	-65.69
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C12CCC[NH+]1CCC2)C1CC1	REAL300025034239	0	53	0.0	-67.08	420.17	2.23	-64.85
C[N@@H+]1CCC(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034244	0	52	0.0	-69.20	419.37	2.32	-66.88
C[N@H+]1CCC(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034244	1	52	0.0	-69.62	418.91	2.37	-67.25
CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025034250	0	51	0.0	-67.08	401.98	1.72	-65.36
C[NH+](C)CCCCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034297	0	54	0.0	-69.83	437.95	2.92	-66.91
CC(C)C(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025034308	0	54	0.0	-66.95	417.48	3.04	-63.91
CCC[N@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034309	0	54	0.0	-69.90	437.10	2.20	-67.70
CCC[N@@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034309	1	54	0.0	-70.06	437.10	2.21	-67.85
CCC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034312	0	51	0.0	-69.52	411.82	2.19	-67.33
CCC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034312	1	51	0.0	-68.83	414.74	1.68	-67.15
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C12CC[N@H+](C1)CCC2)C1CC1	REAL300025034325	0	53	0.0	-68.69	417.42	1.45	-67.24
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C12CC[N@@H+](C1)CCC2)C1CC1	REAL300025034325	1	53	0.0	-67.80	417.22	1.48	-66.32
C[N@@H+]1CCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034347	0	49	0.0	-68.03	390.67	0.61	-67.42
C[N@H+]1CCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034347	1	49	0.0	-65.09	401.18	1.20	-63.89
CC[NH+](CC)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034374	0	51	0.0	-67.90	404.17	1.87	-66.03
CC1CC[NH+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025034427	0	55	0.0	-69.07	438.46	2.74	-66.33
C[NH+](C)CC1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025034445	0	52	0.0	-67.49	423.50	2.52	-64.97
C[NH+]1CCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025034491	0	52	0.0	-70.19	417.15	2.45	-67.74
CC(C)[C@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025034506	0	54	0.0	-66.59	417.57	2.03	-64.56
CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](CC)CC	REAL300025034533	0	57	0.0	-63.24	437.32	3.04	-60.20
CC[N@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034563	0	51	0.0	-69.25	415.60	1.45	-67.80
CC[N@@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034563	1	51	0.0	-69.36	415.60	1.46	-67.90
CC1CCC[N@@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034586	0	52	0.0	-66.12	411.08	2.09	-64.03
CC1CCC[N@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034586	1	52	0.0	-66.19	411.29	2.16	-64.03
CC1CC[N@H+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034587	0	52	0.0	-68.07	421.07	1.99	-66.08
CC1CC[N@@H+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034587	1	52	0.0	-68.88	417.94	2.54	-66.34
CC1(C)CC[N@H+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034589	0	55	0.0	-69.04	437.76	3.01	-66.03
CC1(C)CC[N@@H+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034589	1	55	0.0	-68.15	440.50	2.50	-65.65
C[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)CC(C)(C)C	REAL300025034590	0	57	0.0	-69.00	442.21	3.28	-65.72
C[N@@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)CC(C)(C)C	REAL300025034590	1	57	0.0	-68.19	445.65	2.82	-65.37
CC[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025034597	0	51	0.0	-67.09	401.98	1.72	-65.37
C[NH+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034669	0	45	0.0	-69.84	372.58	0.78	-69.06
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[NH+]1CCCCCC1)C1CC1	REAL300025034672	0	55	0.0	-68.70	426.59	2.31	-66.39
CN1C=C[N+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1	REAL300025034675	0	47	0.0	-66.45	403.81	4.30	-62.15
C[N@@H+]1CCCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034679	0	52	0.0	-68.39	420.08	1.88	-66.51
C[N@H+]1CCCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034679	1	52	0.0	-62.92	413.83	2.08	-60.84
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1CCC[N@@H+]1C1CC1)C1CC1	REAL300025034684	0	53	0.0	-66.77	409.22	2.05	-64.72
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1CCC[N@H+]1C1CC1)C1CC1	REAL300025034684	1	53	0.0	-64.52	414.03	3.17	-61.35
CC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CCC1	REAL300025034696	1	49	0.0	-66.71	400.73	1.84	-64.87
CCC(CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300025034700	0	57	0.0	-64.49	449.56	3.46	-61.03
C[NH+](C)CC(C)(C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034705	0	54	0.0	-68.15	420.66	2.46	-65.69
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[NH+]1CCC(O)CC1)C1CC1	REAL300025034716	1	53	0.0	-72.96	428.70	-1.22	-74.18
C[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300025034717	0	49	0.0	-66.63	401.85	2.19	-64.44
C[N@@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300025034717	1	49	0.0	-66.44	404.90	1.67	-64.77
C[NH+]1CC(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034731	0	49	0.0	-69.74	404.03	1.60	-68.14
CC(C)(C)[N@@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034741	0	55	0.0	-63.96	420.56	2.11	-61.85
CC(C)(C)[N@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034741	1	55	0.0	-65.91	417.90	1.22	-64.69
C[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025034751	0	48	0.0	-68.02	388.77	1.10	-66.92
[N-]=[N+]=NCC(=O)NC(CNC(=O)CSC1=NC(=O)NN1)C1CC1	REAL300025034758	0	39	0.0	-23.02	349.54	-3.62	-26.64
[NH2+]=C1SC=CN1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034800	0	45	0.0	-64.95	399.66	0.96	-63.99
C[N@H+](CCO)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034805	0	52	0.0	-69.54	425.95	-1.76	-71.30
C[N@@H+](CCO)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034805	1	52	0.0	-68.70	425.93	-1.77	-70.47
C[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025034806	0	48	0.0	-68.02	388.77	1.10	-66.92
C[N@@H+]1CCCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034809	0	52	0.0	-66.39	408.17	1.67	-64.72
C[N@H+]1CCCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034809	1	52	0.0	-65.36	413.74	2.36	-63.00
C[N@@H+]1CCC(=CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034868	0	50	0.0	-71.08	411.43	2.33	-68.75
C[N@H+]1CCC(=CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034868	1	50	0.0	-70.76	414.35	1.77	-68.99
C[NH+](C)CCOCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034888	0	52	0.0	-67.62	428.45	1.73	-65.89
C=CCC(C)(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025034899	0	55	0.0	-70.51	424.68	3.02	-67.49
C[N@@H+]1CC(O)CC1(C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034916	0	53	0.0	-72.31	422.30	-1.77	-74.08
CC1CN(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034933	0	49	0.0	-69.73	402.66	1.93	-67.80
CC1C[NH+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034933	1	49	0.0	-69.73	402.66	1.93	-67.80
CN(CCO)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034950	0	49	0.0	-68.89	403.59	-2.31	-71.20
C[N@H+](CCO)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034950	1	49	0.0	-69.23	400.46	-1.79	-71.02
C[N@@H+](CCO)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034950	1	49	0.0	-69.23	400.46	-1.79	-71.02
CC[N@@H+]1CCCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034969	0	55	0.0	-63.78	421.62	3.01	-60.77
CC[N@H+]1CCCC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025034969	1	55	0.0	-63.78	421.62	3.01	-60.77
CC(CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300025034971	0	54	0.0	-69.41	429.57	2.79	-66.62
CC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025034974	0	48	0.0	-68.38	393.24	0.93	-67.45
CC[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300025034998	0	52	0.0	-66.06	421.87	2.23	-63.83
CC[NH+](CC)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035006	0	54	0.0	-69.16	426.18	2.42	-66.74
CC1(O)CC[N@H+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025035036	0	53	0.0	-68.69	431.92	-1.34	-70.03
C[NH+](C)CC=CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035039	0	49	0.0	-72.02	409.80	2.04	-69.98
COCCN(C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035052	0	52	0.0	-68.99	422.71	0.61	-68.38
COCC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035052	1	52	0.0	-68.97	425.85	0.09	-68.88
COCC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035052	1	52	0.0	-68.97	425.85	0.09	-68.88
C[NH+](C)C1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCCC1	REAL300025035069	0	55	0.0	-69.39	417.39	2.97	-66.42
CC(CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025035071	0	54	0.0	-69.84	425.92	2.51	-67.33
CCN1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035077	0	49	0.0	-68.03	404.23	1.76	-66.27
CC[N@@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035077	1	49	0.0	-66.38	398.80	0.81	-65.57
CC[N@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035077	1	49	0.0	-66.38	398.80	0.81	-65.57
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[N@H+]1CCCC1CO)C1CC1	REAL300025035087	0	53	0.0	-68.34	425.08	-1.70	-70.04
C[NH+]1CCC(C)(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025035103	0	55	0.0	-65.56	429.44	2.84	-62.72
C=CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025035119	0	52	0.0	-67.12	416.88	2.36	-64.76
C[N@@H+]1CC(C)(C)CC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035126	0	55	0.0	-66.19	435.90	1.85	-64.34
C[NH+](C)CCCCCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035128	0	57	0.0	-69.34	459.45	3.69	-65.65
CCCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025035145	0	54	0.0	-68.50	422.44	2.46	-66.04
C[NH+](C)C(C)(C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035148	0	51	0.0	-69.14	397.01	1.96	-67.18
C[N@@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035171	0	52	0.0	-66.42	408.17	1.68	-64.74
C[N@H+]1CCCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035171	1	52	0.0	-65.94	406.04	1.59	-64.35
C[N@H+]1CC=C(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025035190	0	53	0.0	-67.68	434.64	2.58	-65.10
C[N@@H+]1CC=C(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025035190	1	53	0.0	-66.71	431.73	3.10	-63.61
O=C(C=CC[NH+]1CCCC1)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035220	0	53	0.0	-70.64	434.88	3.21	-67.43
C[NH+](C)C1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025035246	0	49	0.0	-69.65	402.26	1.45	-68.20
O=C(CC[NH+]1CCCC1)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035247	0	52	0.0	-68.79	423.83	1.98	-66.81
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1C[NH+]2CCN1CC2)C1CC1	REAL300025035268	0	52	0.0	-73.88	411.53	-1.29	-75.17
C[N@@H+]1CC2CC1(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300025035272	0	50	0.0	-68.42	403.08	1.99	-66.43
C[N@H+]1CC2CC1(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300025035272	1	50	0.0	-64.97	402.18	1.84	-63.13
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[N@@H+]1CC2CCC1C2)C1CC1	REAL300025035277	0	53	0.0	-66.53	419.92	2.18	-64.35
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[N@H+]1CC2CCC1C2)C1CC1	REAL300025035277	1	53	0.0	-67.65	419.01	2.88	-64.77
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[N@@H+]1CC2C=CC1C2)C1CC1	REAL300025035312	1	51	0.0	-65.79	411.73	2.65	-63.14
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[N@H+]1CC2C=CC1C2)C1CC1	REAL300025035312	1	51	0.0	-66.84	414.59	2.21	-64.63
CC(C[NH+](C)C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035342	0	51	0.0	-69.25	410.57	2.03	-67.22
C[N@@H+]1CCCCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035381	0	55	0.0	-69.19	434.70	2.43	-66.76
C[N@H+]1CCCCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035381	1	55	0.0	-69.26	434.72	2.44	-66.82
CC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CC(C)C1	REAL300025035390	1	52	0.0	-65.85	424.25	1.92	-63.93
CC1CC[N@@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035392	1	49	0.0	-67.04	398.38	1.60	-65.44
CC1CC[N@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035392	1	49	0.0	-67.15	398.98	1.66	-65.49
C[NH+](C)CC(O)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035394	0	52	0.0	-72.37	425.17	-0.29	-72.66
CC1C[N@H+](C)CC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300025035411	1	53	0.0	-77.17	424.10	1.83	-75.34
CC1C[N@@H+](C)CC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300025035411	1	53	0.0	-75.63	431.18	1.86	-73.77
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025035449	0	52	0.0	-67.02	425.22	1.96	-65.06
CC(CC[NH+](C)C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035453	0	54	0.0	-69.12	432.20	2.65	-66.47
C[NH+]1CCN(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025035468	1	54	0.0	-68.78	431.59	0.28	-68.50
C[N@@H+]1CCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035638	0	49	0.0	-64.41	401.82	1.31	-63.10
C[N@H+]1CCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035638	1	49	0.0	-66.32	392.58	1.32	-65.00
C[N@@H+]1CCOC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025035664	1	50	0.0	-73.76	409.80	1.16	-72.60
C[N@H+]1CCOC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025035664	1	50	0.0	-73.39	412.89	0.70	-72.69
O=C(CC[NH+]1CCOCC1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035812	1	53	0.0	-70.84	430.77	0.26	-70.58
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C12CCC[NH+]1CCC2)C1CC1	REAL300025035820	0	53	0.0	-64.07	417.24	2.76	-61.31
C[N@@H+]1CCC(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025035843	0	52	0.0	-68.78	419.38	2.33	-66.45
C[N@H+]1CCC(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025035843	1	52	0.0	-69.27	421.82	1.84	-67.43
CCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025035849	0	51	0.0	-65.20	406.22	1.19	-64.01
C[NH+](C)CCCCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035881	0	54	0.0	-69.23	440.87	2.39	-66.84
CC(C)C(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025035894	0	54	0.0	-65.39	425.13	2.31	-63.08
CCC[N@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035895	0	54	0.0	-68.72	437.10	2.22	-66.50
CCC[N@@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035895	1	54	0.0	-68.78	437.09	2.22	-66.56
CCC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035898	0	51	0.0	-67.36	414.73	1.67	-65.69
CCC[N@@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035898	1	51	0.0	-67.37	414.72	1.66	-65.71
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C12CC[N@H+](C1)CCC2)C1CC1	REAL300025035911	0	53	0.0	-69.43	414.54	2.02	-67.41
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C12CC[N@@H+](C1)CCC2)C1CC1	REAL300025035911	1	53	0.0	-67.40	417.16	1.45	-65.95
CC1CC[NH+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025035936	0	55	0.0	-67.20	438.07	2.73	-64.47
C[NH+](C)CC1(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025035973	0	52	0.0	-67.17	426.14	1.95	-65.22
CC[N@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035990	0	51	0.0	-68.21	412.67	1.99	-66.22
CC[N@@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035990	1	51	0.0	-68.11	415.60	1.46	-66.65
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1C[NH+]2CCC1CC2)C1CC1	REAL300025036002	0	53	0.0	-69.87	416.87	2.04	-67.83
C[NH+]1CCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025036040	0	52	0.0	-69.45	420.10	1.91	-67.54
CC(C)[C@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025036055	0	54	0.0	-65.32	426.02	2.34	-62.98
C[NH+](C)C1(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCC1	REAL300025036118	0	52	0.0	-66.76	403.44	2.31	-64.45
CCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](CC)CC	REAL300025036145	0	57	0.0	-61.80	441.64	2.53	-59.27
CC1CCC[N@@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036154	0	52	0.0	-64.10	414.21	1.62	-62.48
CC1CCC[N@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036154	1	52	0.0	-64.52	420.67	2.02	-62.50
CC(C)[N@@H+]1CCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036181	0	55	0.0	-62.03	437.31	2.45	-59.58
CC(C)[N@H+]1CCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036181	1	55	0.0	-63.85	427.95	2.49	-61.36
CC(C)[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025036188	0	54	0.0	-65.43	423.57	2.38	-63.05
CC1CC[N@H+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025036198	0	52	0.0	-66.58	417.94	2.47	-64.11
CC1CC[N@@H+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025036198	1	52	0.0	-66.51	417.94	2.47	-64.04
CC1(C)CC[N@H+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025036200	0	55	0.0	-66.52	437.62	3.03	-63.49
CC1(C)CC[N@@H+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025036200	1	55	0.0	-66.64	438.16	3.04	-63.60
C[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)CC(C)(C)C	REAL300025036201	0	57	0.0	-67.12	443.34	2.66	-64.46
C[N@@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)CC(C)(C)C	REAL300025036201	1	57	0.0	-66.72	445.64	2.81	-63.91
CC[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025036208	0	51	0.0	-64.92	405.94	1.28	-63.64
CC1=[NH+]C=CN1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036288	1	47	0.0	-64.52	404.93	1.86	-62.66
CC[N@@H+]1CCOC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025036331	1	53	0.0	-71.84	427.78	1.87	-69.97
CC[N@H+]1CCOC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025036331	1	53	0.0	-68.55	420.64	1.71	-66.84
CC1=C[NH+]=CN1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036351	1	47	0.0	-67.02	404.22	2.55	-64.47
C[C@@H]1[C@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300025036356	0	52	0.0	-68.00	410.11	1.99	-66.01
C[C@@H]1[C@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300025036356	1	52	0.0	-67.25	414.67	2.28	-64.97
CC[C@@H]1[C@@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300025036358	0	55	0.0	-67.40	432.52	1.93	-65.47
CC[C@@H]1[C@@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300025036358	1	55	0.0	-66.15	433.65	2.99	-63.16
CC1CCC(C)[NH+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036363	0	55	0.0	-63.17	432.27	2.11	-61.06
O=C(CCC[NH+]1CCCC1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036365	0	55	0.0	-67.70	443.72	2.68	-65.02
O=C(CC[NH+]1CCCCC1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036369	0	55	0.0	-67.81	439.05	2.65	-65.16
CC[N@@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036372	0	55	0.0	-63.14	432.30	3.00	-60.14
CC[N@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036372	1	55	0.0	-62.94	435.30	2.48	-60.46
C[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300025036452	0	52	0.0	-65.50	421.72	2.23	-63.27
C[N@@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CCC1	REAL300025036452	1	52	0.0	-65.60	421.62	2.23	-63.37
C[NH+]1CCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025036476	0	52	0.0	-69.45	420.10	1.91	-67.54
C[N@@H+]1CCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036498	0	49	0.0	-66.00	395.46	0.78	-65.22
C[N@H+]1CCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036498	1	49	0.0	-64.40	398.64	1.82	-62.58
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036515	1	51	0.0	-64.71	422.11	2.01	-62.70
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036515	1	51	0.0	-65.01	426.89	2.53	-62.48
C[N@@H+]1CCCC1CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036520	0	55	0.0	-67.86	442.90	2.75	-65.11
C[N@H+]1CCCC1CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036520	1	55	0.0	-67.32	434.53	2.81	-64.51
C[N@@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036583	0	52	0.0	-64.97	408.16	1.66	-63.31
C[N@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036583	1	52	0.0	-65.21	405.23	2.21	-63.00
CC1C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300025036632	0	52	0.0	-66.84	414.81	2.21	-64.63
CC1C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300025036632	1	52	0.0	-68.86	409.31	1.80	-67.06
CC(C)(C)[N@@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036682	0	55	0.0	-63.25	436.84	1.93	-61.32
CC(C)(C)[N@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036682	1	55	0.0	-64.09	417.95	1.94	-62.15
C[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025036695	0	48	0.0	-65.76	393.68	0.66	-65.10
C=CCC(C)(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025036707	0	55	0.0	-63.30	430.88	2.30	-61.00
O=C(CC[NH+]1CCCC1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036719	0	52	0.0	-68.09	422.22	1.86	-66.23
C[N@H+](CCO)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036727	1	49	0.0	-67.69	403.58	-2.33	-70.02
C[N@@H+](CCO)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036727	1	49	0.0	-67.24	403.36	-2.32	-69.56
C[N@H+]1CC=C(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025036773	0	53	0.0	-68.12	434.65	2.58	-65.54
C[N@@H+]1CC=C(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025036773	1	53	0.0	-67.02	434.64	2.58	-64.44
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036791	0	53	0.0	-65.52	424.77	-1.63	-67.15
C[N@H+]1CC(O)CC1(C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036791	1	53	0.0	-69.85	423.07	-1.43	-71.28
CC1C[NH+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025036817	1	49	0.0	-67.41	405.59	1.40	-66.01
CC[N@@H+]1CCCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025036823	0	55	0.0	-66.04	434.84	3.06	-62.98
CC[N@H+]1CCCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025036823	1	55	0.0	-65.99	437.77	2.52	-63.47
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1CCC[N@@H+]1C1CC1)C1CC1	REAL300025036834	0	53	0.0	-61.87	425.19	3.10	-58.77
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1CCC[N@H+]1C1CC1)C1CC1	REAL300025036834	1	53	0.0	-61.95	428.61	3.28	-58.67
O=C(C=CC[NH+]1CCCC1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036855	0	53	0.0	-69.08	436.06	2.52	-66.56
CC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036892	0	48	0.0	-67.00	393.23	0.91	-66.09
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)CN1CC2C=CC1C2)C1CC1	REAL300025036921	0	51	0.0	-65.27	412.06	2.75	-62.52
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[N@@H+]1CC2C=CC1C2)C1CC1	REAL300025036921	1	51	0.0	-64.50	411.63	2.64	-61.86
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[N@H+]1CC2C=CC1C2)C1CC1	REAL300025036921	1	51	0.0	-64.50	411.63	2.64	-61.86
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1C[NH+]2CCN1CC2)C1CC1	REAL300025036965	0	52	0.0	-70.71	408.91	-0.75	-71.46
COCCN(C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036996	0	52	0.0	-67.12	425.61	0.08	-67.04
COCC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036996	1	52	0.0	-67.73	425.83	0.08	-67.65
COCC[N@@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036996	1	52	0.0	-67.73	425.83	0.08	-67.65
CC(CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025036999	0	54	0.0	-68.93	429.14	1.98	-66.95
CC[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300025037012	0	52	0.0	-64.51	421.55	2.26	-62.25
C[N@@H+]1CC2CC1(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C2	REAL300025037037	0	50	0.0	-66.06	405.31	1.86	-64.20
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[N@@H+]1CC2CCC1C2)C1CC1	REAL300025037044	0	53	0.0	-65.02	421.92	2.34	-62.68
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[N@H+]1CC2CCC1C2)C1CC1	REAL300025037044	1	53	0.0	-65.02	421.92	2.34	-62.68
CC(C[NH+](C)C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037057	0	51	0.0	-67.89	413.91	1.51	-66.38
CCN1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037085	0	49	0.0	-65.19	397.39	1.51	-63.68
CC[N@@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037085	1	49	0.0	-65.73	407.13	1.28	-64.45
CC[N@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037085	1	49	0.0	-65.73	407.13	1.28	-64.45
CCC(C)(C)[NH2+]C(C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037091	0	57	0.0	-64.12	440.11	0.89	-63.23
CCCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025037121	0	54	0.0	-66.05	429.62	2.16	-63.89
C[NH+](C)C(C)(C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037125	0	51	0.0	-66.38	403.20	1.36	-65.02
CC(CC[NH+](C)C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037138	0	54	0.0	-68.51	435.54	2.13	-66.38
C[N@@H+]1CC(C)(C)CC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037186	0	55	0.0	-65.70	432.47	2.49	-63.21
C[N@H+]1CC(C)(C)CC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037186	1	55	0.0	-65.94	432.96	2.40	-63.54
C[NH+](C)CCCCCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037188	0	57	0.0	-69.16	462.37	3.17	-65.99
C[NH+]1CCN(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025037195	1	54	0.0	-68.27	434.53	-0.24	-68.51
CC1C[N@H+](C)CC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300025037236	1	53	0.0	-74.24	423.94	1.53	-72.71
CC1C[N@@H+](C)CC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)O1	REAL300025037236	1	53	0.0	-69.92	424.03	1.82	-68.10
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[NH+]1CC2CC2C1)C1CC1	REAL300025037263	0	50	0.0	-67.05	410.83	2.13	-64.92
C[N@@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037280	0	52	0.0	-64.97	408.16	1.66	-63.31
C[N@H+]1CCCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037280	1	52	0.0	-65.21	405.23	2.21	-63.00
C[N@@H+]1CCC(=CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025037338	0	50	0.0	-70.63	414.35	1.79	-68.84
C[N@H+]1CCC(=CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025037338	1	50	0.0	-70.67	414.35	1.79	-68.88
O=C(CNC1=CC=[NH+]C=C1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037340	0	48	0.0	-66.10	411.22	-0.48	-66.58
[N-]=[N+]=NCC(=O)NCC(NC(=O)CSC1=NC(=O)NN1)C1CC1	REAL300025037363	0	39	0.0	-22.76	352.46	-4.16	-26.92
C[NH+](C)C1(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CCCC1	REAL300025037390	0	55	0.0	-67.01	424.04	3.06	-63.95
CCC1C[NH+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025037397	1	52	0.0	-67.95	428.17	2.10	-65.85
C[N@@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037406	0	49	0.0	-64.45	401.30	1.27	-63.18
C[N@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037406	1	49	0.0	-66.04	395.49	0.79	-65.25
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025037484	0	52	0.0	-68.05	422.32	2.50	-65.55
C[NH+](C)CCC1(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025037492	0	55	0.0	-60.55	453.97	2.88	-57.67
C[N@@H+]1CC=CCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037493	0	53	0.0	-62.91	418.76	2.78	-60.13
C[N@H+]1CC=CCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037493	1	53	0.0	-62.72	421.67	2.25	-60.47
C[NH+](C)CCOCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037521	0	52	0.0	-67.95	431.37	1.32	-66.63
[NH2+]=C1SC=CN1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037545	0	45	0.0	-63.91	402.57	0.43	-63.48
C[N@@H+]1CCCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025037601	0	52	0.0	-62.95	413.83	2.07	-60.88
C[N@H+]1CCCC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025037601	1	52	0.0	-62.95	413.83	2.07	-60.88
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[NH+]1CCCCCC1)C1CC1	REAL300025037602	0	55	0.0	-66.51	426.82	2.29	-64.22
CN1C=C[N+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1	REAL300025037605	0	47	0.0	-65.55	406.74	3.76	-61.79
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)CN1CCC(O)CC1)C1CC1	REAL300025037624	0	53	0.0	-70.96	428.70	-1.22	-72.18
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[NH+]1CCC(O)CC1)C1CC1	REAL300025037624	1	53	0.0	-70.96	428.70	-1.22	-72.18
C[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C1CC1	REAL300025037625	0	49	0.0	-64.75	404.76	1.65	-63.10
CC(CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300025037643	0	54	0.0	-70.13	432.64	2.23	-67.90
CN1CCOCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037660	0	53	0.0	-65.34	418.62	-0.07	-65.41
C[N@@H+]1CCOCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037660	1	53	0.0	-65.25	418.63	-0.07	-65.32
C[N@H+]1CCOCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037660	1	53	0.0	-65.25	418.63	-0.07	-65.32
CC1(O)CC[N@H+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025037721	0	53	0.0	-67.00	428.55	-0.81	-67.81
C[NH+]1CC(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025037742	0	49	0.0	-68.16	406.95	1.08	-67.08
C[N@H+](CCO)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037765	0	52	0.0	-67.93	425.93	-1.78	-69.71
C[N@@H+](CCO)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037765	1	52	0.0	-67.93	425.93	-1.78	-69.71
C[N@@H+]1CCCCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037780	0	55	0.0	-62.22	427.24	2.29	-59.93
C[N@H+]1CCCCC1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037780	1	55	0.0	-62.22	427.24	2.29	-59.93
CC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)N1CC(C)C1	REAL300025037790	0	52	0.0	-64.69	423.43	2.00	-62.69
CC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CC(C)C1	REAL300025037790	1	52	0.0	-64.69	423.43	2.00	-62.69
CC1CCN1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037792	0	49	0.0	-65.77	406.78	1.36	-64.41
CC1CC[N@@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037792	1	49	0.0	-65.96	406.85	1.33	-64.63
CC1CC[N@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037792	1	49	0.0	-65.96	406.85	1.33	-64.63
C[NH+](C)CC=CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037798	0	49	0.0	-70.66	412.73	1.49	-69.17
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[N@H+]1CCCC1CO)C1CC1	REAL300025037837	0	53	0.0	-65.73	428.70	-1.14	-66.87
CC[NH+](CC)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037839	0	51	0.0	-65.61	407.09	1.32	-64.29
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)CN1CCC1)C1CC1	REAL300025037848	0	46	0.0	-67.30	385.61	0.67	-66.63
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[NH+]1CCC1)C1CC1	REAL300025037848	1	46	0.0	-67.30	385.61	0.67	-66.63
CC[NH+](CC)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037876	0	54	0.0	-67.14	433.45	2.17	-64.97
CC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)N1CCC1	REAL300025037926	0	49	0.0	-65.18	405.86	1.25	-63.93
CC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+]1CCC1	REAL300025037926	1	49	0.0	-65.18	405.86	1.25	-63.93
CCC(CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)C[NH+](C)C	REAL300025037931	0	57	0.0	-69.09	446.53	2.73	-66.36
C[NH+](C)CC(C)(C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037936	0	54	0.0	-66.87	425.34	1.98	-64.89
C[N@@H+]1CCCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037965	0	52	0.0	-64.33	414.54	2.37	-61.96
C[NH+](C)CC(O)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025037984	0	52	0.0	-71.46	428.10	-0.72	-72.18
C=CCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1)[NH+](C)C	REAL300025038004	0	52	0.0	-64.18	418.55	1.70	-62.48
C[NH+]1CCC(C)(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025038015	0	55	0.0	-66.37	432.75	2.33	-64.04
NC(=[NH2+])SCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025038036	0	43	0.0	-69.67	380.50	-2.26	-71.93
C[NH+](C)CCC1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC1	REAL300025038059	0	55	0.0	-66.92	447.06	3.29	-63.63
C[N@@H+]1CC=CCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025038060	0	53	0.0	-63.70	418.76	2.76	-60.94
C[N@H+]1CC=CCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025038060	1	53	0.0	-63.70	418.76	2.76	-60.94
CCC1C[NH+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300025038141	1	52	0.0	-70.21	425.23	2.64	-67.57
C[N@H+]1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025038146	1	49	0.0	-66.65	395.52	0.80	-65.85
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C[NH+]1CCCCC1)C1CC1	REAL300025038163	0	52	0.0	-68.21	417.23	2.12	-66.09
CC1C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@@H+]1C	REAL300025038168	0	52	0.0	-67.39	415.67	1.38	-66.01
CC1C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)CC[N@H+]1C	REAL300025038168	1	52	0.0	-68.17	404.61	1.79	-66.38
C[N@@H+]1CCOCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025038196	1	53	0.0	-67.72	415.70	0.45	-67.27
C[N@H+]1CCOCC1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025038196	1	53	0.0	-67.26	418.64	-0.07	-67.33
CCOCC(N=[N+]=[N-])C(=O)NC(CNC(=O)CSC1=NC(=O)NN1)C1CC1	REAL300025038203	0	49	0.0	-22.59	428.68	-3.47	-26.06
CCC1CN(C(=O)C2CCC[N@@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038348	0	55	0.0	-66.87	429.75	3.17	-63.70
CCC1CN(C(=O)C2CCC[N@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038348	1	55	0.0	-71.16	430.12	3.16	-68.00
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(CC)C1)[NH+](C)C	REAL300025038448	0	57	0.0	-66.33	429.57	3.54	-62.79
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(CC)C1	REAL300025038453	0	57	0.0	-69.69	440.73	4.04	-65.65
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(CC)C1	REAL300025038453	1	57	0.0	-69.75	440.67	4.03	-65.72
CCC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038461	0	55	0.0	-67.15	426.89	3.13	-64.02
CCC1CN(C(=O)[C@H]2CCC[N@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038461	1	55	0.0	-68.41	419.89	3.18	-65.23
CCC1CN(C(=O)C[NH+](CC)CC)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038466	0	57	0.0	-67.66	437.54	3.98	-63.68
CCC1CN(C(=O)CC[N@H+](C)CC)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038522	0	57	0.0	-71.06	441.58	3.89	-67.17
CCC1CN(C(=O)CC[N@@H+](C)CC)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038522	1	57	0.0	-70.95	441.59	3.90	-67.05
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(CC)C1)[NH+](C)C	REAL300025038525	0	57	0.0	-67.47	431.97	3.68	-63.79
CCC1CN(C(=O)C[NH+](C)C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038543	0	51	0.0	-70.20	401.50	2.63	-67.57
CCC1CN(C(=O)C(C)[NH+]2CCC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038547	1	55	0.0	-66.95	420.35	3.16	-63.79
CCC1CN(C(=O)C[N@H+](C)C2CC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038553	0	55	0.0	-67.25	430.89	4.04	-63.21
CCC1CN(C(=O)C[N@@H+](C)C2CC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038553	1	55	0.0	-66.72	430.76	4.04	-62.68
CCC1CN(C(=O)CC2C[NH+](C)C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038559	0	55	0.0	-70.55	432.78	3.50	-67.05
CCC1CN(C(=O)[C@H](C)[NH+](C)C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038566	0	54	0.0	-67.52	418.20	3.03	-64.49
CCC1CN(C(=O)CN=[N+]=[N-])CCC1NC(=O)CSC1=NC(=O)NN1	REAL300025038569	0	45	0.0	-23.04	378.45	-1.78	-24.82
CCC1CN(C(=O)[C@H](C)[NH+](C)C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038587	0	54	0.0	-67.52	418.20	3.03	-64.49
CCC1CN(C(=O)C[NH+]2CCC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038605	1	52	0.0	-69.72	411.75	3.07	-66.65
CCC1CN(C(=O)[C@@H](C)[NH+](C)C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038616	0	54	0.0	-67.45	417.74	2.97	-64.48
CCC1CN(C(=O)C[NH+]2CC(C)C2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038622	1	55	0.0	-69.63	432.79	3.71	-65.92
CCC1CN(C(=O)C[N@H+](C)CC)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038639	0	54	0.0	-69.40	419.23	3.29	-66.11
CCC1CN(C(=O)C[N@@H+](C)CC)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038639	1	54	0.0	-69.30	419.18	3.29	-66.01
CCC1CN(C(=O)C=CC[NH+](C)C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038655	0	55	0.0	-73.38	437.62	3.89	-69.49
CCC1CN(C(=O)C2CC[N@@H+]2CC)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038661	1	55	0.0	-66.80	424.64	3.26	-63.54
CCC1CN(C(=O)C2CC[N@H+]2CC)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038661	1	55	0.0	-67.58	429.10	3.02	-64.56
CCC1CN(C(=O)C(C)(C)[NH+](C)C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038674	0	57	0.0	-67.62	422.52	3.13	-64.49
CCC1CN(C(=O)C2([NH+](C)C)CC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038696	0	55	0.0	-69.19	423.51	3.20	-65.99
CCC1CN(C(=O)C(C)C[NH+](C)C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038718	0	57	0.0	-67.49	437.79	3.74	-63.75
CCC1CN(C(=O)C[N@@H+]2CCC2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038727	1	55	0.0	-67.37	427.26	3.44	-63.93
CCC1CN(C(=O)C[N@H+]2CCC2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038727	1	55	0.0	-68.89	436.45	3.45	-65.44
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CCC[N@@H+]1C	REAL300025038836	0	55	0.0	-70.14	425.14	2.97	-67.17
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CCC[N@H+]1C	REAL300025038836	1	55	0.0	-72.06	421.51	3.29	-68.77
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CC)[NH+](C)C	REAL300025038907	0	57	0.0	-69.64	437.70	3.58	-66.06
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CC	REAL300025038911	0	57	0.0	-72.01	444.33	3.83	-68.18
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CC	REAL300025038911	1	57	0.0	-72.92	440.77	4.14	-68.78
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)CC[N@H+](C)CC	REAL300025038928	0	57	0.0	-73.30	441.60	3.95	-69.35
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)CC[N@@H+](C)CC	REAL300025038928	1	57	0.0	-72.67	445.27	3.63	-69.04
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CC)[NH+](C)C	REAL300025038968	0	57	0.0	-69.32	431.73	3.75	-65.57
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300025039014	0	55	0.0	-69.30	427.56	3.77	-65.53
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@H]1CCC[N@H+]1C	REAL300025039014	1	55	0.0	-71.55	425.13	2.97	-68.58
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@H](C)[NH+](C)C	REAL300025039068	0	54	0.0	-70.64	423.21	2.83	-67.81
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[NH+]1CC(C)C1	REAL300025039092	1	55	0.0	-71.83	436.06	3.51	-68.32
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N@H+](C)CC	REAL300025039110	0	54	0.0	-71.53	422.90	3.09	-68.44
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N@@H+](C)CC	REAL300025039110	1	54	0.0	-72.37	419.26	3.39	-68.98
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C(C)C[NH+](C)C	REAL300025039140	0	57	0.0	-72.51	443.50	3.68	-68.83
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1([NH+](C)C)CC1	REAL300025039143	0	55	0.0	-75.27	424.82	3.89	-71.38
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@@H](C)[NH+](C)C	REAL300025039147	0	54	0.0	-71.21	419.63	3.16	-68.05
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CC[N@@H+]1CC	REAL300025039150	1	55	0.0	-70.78	436.73	3.39	-67.39
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1CC[N@H+]1CC	REAL300025039150	1	55	0.0	-70.58	428.96	3.28	-67.30
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C(C)(C)[NH+](C)C	REAL300025039158	0	57	0.0	-75.55	428.13	3.79	-71.76
CCC1CN(C(=O)CSC2=NC(=O)NN2)CCC1NC(=O)CN=[N+]=[N-]	REAL300025039204	0	45	0.0	-22.38	382.05	-1.98	-24.36
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025039217	0	55	0.0	-71.07	421.49	3.29	-67.78
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300025039217	1	55	0.0	-68.81	430.92	3.44	-65.37
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N@H+](C)C1CC1	REAL300025039254	0	55	0.0	-70.58	430.91	4.15	-66.43
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N@@H+](C)C1CC1	REAL300025039254	1	55	0.0	-69.95	430.75	4.14	-65.81
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)CC1C[NH+](C)C1	REAL300025039282	0	55	0.0	-72.39	436.53	3.24	-69.15
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[NH+](C)C	REAL300025039285	0	51	0.0	-72.33	405.09	2.42	-69.91
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)[C@H](C)[NH+](C)C	REAL300025039288	0	54	0.0	-70.64	423.21	2.83	-67.81
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N@@H+]1CCC1C	REAL300025039295	1	55	0.0	-71.13	432.82	3.83	-67.30
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[N@H+]1CCC1C	REAL300025039295	1	55	0.0	-70.45	427.29	3.56	-66.89
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C=CC[NH+](C)C	REAL300025039296	0	55	0.0	-74.64	438.71	4.01	-70.63
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C[NH+](CC)CC	REAL300025039302	0	57	0.0	-69.87	441.19	3.79	-66.08
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C(C)[NH+]1CCC1	REAL300025039325	1	55	0.0	-69.57	429.25	3.79	-65.78
CCC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025039393	0	55	0.0	-68.44	423.56	2.85	-65.59
CCC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025039393	1	55	0.0	-66.00	423.34	3.39	-62.61
C[N@@H+]1CCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025039574	0	46	0.0	-75.01	376.97	0.48	-74.53
C[N@H+]1CCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025039574	1	46	0.0	-60.47	381.55	1.64	-58.83
C[N@@H+]1CCOC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025039598	1	47	0.0	-75.00	393.09	1.15	-73.85
C[N@H+]1CCOC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025039598	1	47	0.0	-91.59	394.58	0.40	-91.19
CC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300025039754	0	55	0.0	-71.88	425.95	2.40	-69.48
CC(C)[N@@H+]1CCCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025039756	0	55	0.0	-70.77	429.98	2.43	-68.34
CC(C)[N@H+]1CCCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025039756	1	55	0.0	-71.18	424.10	2.50	-68.68
CC(C)[N@@H+]1CCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025039776	0	52	0.0	-57.36	417.56	2.88	-54.48
CC(C)[N@H+]1CCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025039776	1	52	0.0	-55.27	403.56	2.74	-52.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300025039792	0	53	0.0	-80.10	424.38	2.69	-77.41
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300025039792	1	53	0.0	-66.51	423.16	3.37	-63.14
CC(C)C1=[NH+]C=CN1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025039810	1	50	0.0	-58.65	421.48	3.40	-55.25
CC1=[NH+]C=CN1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025039835	1	44	0.0	-60.68	384.64	2.21	-58.47
CC(C[NH+]1CCOCC1)C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025039836	0	53	0.0	-79.16	428.18	0.67	-78.49
O=C(CCC[NH+]1CCCCC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025039851	0	55	0.0	-65.33	440.77	3.87	-61.46
CC(C)(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300025039865	0	55	0.0	-56.09	417.00	3.35	-52.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1C[NH+]2CCC1CC2	REAL300025039873	0	50	0.0	-60.09	395.69	2.43	-57.66
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CCCC2CCC[N@@H+]21	REAL300025039908	0	53	0.0	-72.53	413.21	2.49	-70.04
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CCCC2CCC[N@H+]21	REAL300025039908	1	53	0.0	-69.61	421.44	2.77	-66.84
C[C@@H]1[C@H](C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025039918	0	49	0.0	-82.56	393.63	0.90	-81.66
C[C@@H]1[C@H](C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025039918	1	49	0.0	-60.30	393.53	2.08	-58.22
CC[C@@H]1[C@@H](C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025039922	0	52	0.0	-79.84	414.13	1.66	-78.18
CC[C@@H]1[C@@H](C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025039922	1	52	0.0	-77.31	417.70	2.18	-75.13
CC[N@@H+]1CCOC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025039931	1	50	0.0	-82.33	404.90	0.89	-81.44
CC[N@H+]1CCOC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025039931	1	50	0.0	-89.45	412.07	1.05	-88.40
CC[NH+](CC)CC(F)C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025039970	0	51	0.0	-79.19	418.59	1.83	-77.36
CC1CCC(C)[NH+]1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040029	0	52	0.0	-58.65	402.93	2.23	-56.42
O=C(CCC[NH+]1CCCC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040035	0	52	0.0	-65.15	423.94	3.10	-62.05
C#CC[NH+]1CCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025040039	0	51	0.0	-83.44	426.08	2.75	-80.69
O=C(CC[NH+]1CCCCC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040040	0	52	0.0	-63.16	419.74	3.10	-60.06
CC[N@@H+]1CCCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040044	0	52	0.0	-72.33	407.61	2.03	-70.30
CC[N@H+]1CCCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040044	1	52	0.0	-57.07	405.42	2.71	-54.36
CC(C)C[N@@H+]1CCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025040056	0	55	0.0	-76.42	441.29	2.93	-73.49
CC(C)C[N@H+]1CCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025040056	1	55	0.0	-61.91	440.65	3.64	-58.27
C[NH+](C)C1(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025040059	0	49	0.0	-65.12	387.01	2.89	-62.23
CC(C)[N@@H+]1CCCC1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040061	0	55	0.0	-61.84	437.71	3.25	-58.59
CC(C)[N@H+]1CCCC1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040061	1	55	0.0	-70.04	425.51	2.00	-68.04
CC(C)[C@@H](C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025040072	0	51	0.0	-57.96	403.54	2.89	-55.07
C[N@H+](CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025040109	0	49	0.0	-59.77	401.43	2.58	-57.19
C[N@@H+](CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025040109	1	49	0.0	-74.01	402.97	1.91	-72.10
CC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300025040153	0	55	0.0	-70.23	427.31	2.31	-67.92
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040204	1	48	0.0	-56.18	401.86	2.37	-53.81
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040204	1	48	0.0	-57.98	408.27	2.97	-55.01
C[N@@H+]1CCCC1CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040209	0	52	0.0	-82.01	420.43	2.29	-79.72
C[N@H+]1CCCC1CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040209	1	52	0.0	-77.45	418.58	1.96	-75.49
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C12CCC[NH+](CCC1)C2	REAL300025040216	0	53	0.0	-66.51	412.63	2.80	-63.71
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CCC2CCCC[N@@H+]21	REAL300025040219	0	53	0.0	-57.44	422.15	3.60	-53.84
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CCC2CCCC[N@H+]21	REAL300025040219	1	53	0.0	-73.74	417.84	2.41	-71.33
O=C(CCCC[NH+]1CCCC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040234	0	55	0.0	-67.72	445.44	3.89	-63.83
C[NH+]1CCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025040245	0	49	0.0	-83.47	401.40	1.60	-81.87
C[NH+](C)CC1=CC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300025040274	1	48	0.0	-84.47	415.96	0.97	-83.50
C[N@@H+]1CCCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040298	0	49	0.0	-73.41	389.81	1.37	-72.04
C[N@H+]1CCCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040298	1	49	0.0	-73.27	398.66	1.54	-71.73
CC(C)C[N@@H+]1CCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040317	0	55	0.0	-73.15	441.78	3.11	-70.04
CC(C)C[N@H+]1CCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040317	1	55	0.0	-73.33	441.83	3.14	-70.19
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300025040402	0	44	0.0	-67.04	385.90	4.17	-62.87
CC1=[NH+]C=CN1CCCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040408	1	50	0.0	-64.22	426.70	3.59	-60.63
O=C(CC[NH+]1CCOCC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040412	1	50	0.0	-81.37	412.11	-0.06	-81.43
CC1=C[NH+]=CN1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040437	1	44	0.0	-60.30	384.44	2.97	-57.33
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C12CCC[NH+]1CCC2	REAL300025040469	0	50	0.0	-64.40	398.24	2.59	-61.81
C[NH+](C)C1CCCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025040489	0	55	0.0	-63.28	427.50	3.27	-60.01
C[N@@H+]1CCC(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025040491	0	49	0.0	-65.67	401.65	2.20	-63.47
C[N@H+]1CCC(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025040491	1	49	0.0	-79.60	403.04	1.56	-78.04
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040502	0	48	0.0	-68.00	406.45	1.49	-66.51
CCC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025040507	0	48	0.0	-72.61	386.70	0.96	-71.65
C[NH+](C)C1(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025040517	0	55	0.0	-65.09	419.05	3.04	-62.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300025040551	1	44	0.0	-84.25	387.28	3.45	-80.80
C[NH+](C)CCCCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040596	0	51	0.0	-80.87	422.21	2.08	-78.79
CC(C)C(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025040614	0	51	0.0	-62.24	400.36	2.15	-60.09
CCC[N@H+](C)CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040616	0	51	0.0	-64.52	417.32	2.63	-61.89
CCC[N@@H+](C)CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040616	1	51	0.0	-64.83	417.32	2.63	-62.20
CCC[N@H+](C)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040621	0	48	0.0	-61.08	394.44	2.02	-59.06
CCC[N@@H+](C)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040621	1	48	0.0	-60.89	394.96	2.10	-58.79
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300025040641	0	50	0.0	-78.66	399.13	1.13	-77.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300025040641	1	50	0.0	-64.18	397.68	1.88	-62.30
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040673	0	46	0.0	-63.08	374.84	1.19	-61.89
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040673	1	46	0.0	-60.53	380.24	1.71	-58.82
CCCCCC[N@H+](C)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040720	0	57	0.0	-62.07	458.94	4.36	-57.71
CCCCCC[N@@H+](C)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040720	1	57	0.0	-61.84	459.45	4.42	-57.42
CC[NH+](CC)C(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025040723	0	57	0.0	-71.12	425.24	1.98	-69.14
CC[NH+](CC)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040731	0	48	0.0	-74.66	392.91	1.30	-73.36
CCC[N@@H+]1CCCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025040762	0	55	0.0	-64.11	439.51	3.70	-60.41
CCC[N@H+]1CCCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025040762	1	55	0.0	-68.86	434.39	3.17	-65.69
CC(C)[N@@H+]1CCOC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025040776	0	53	0.0	-85.00	428.84	1.56	-83.44
CC(C)[N@H+]1CCOC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025040776	1	53	0.0	-80.11	421.72	1.41	-78.70
CC1CC[NH+](CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025040803	0	52	0.0	-60.93	418.97	3.14	-57.79
C[NH+]1CCC(OCC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025040826	0	53	0.0	-85.47	436.80	2.03	-83.44
C[NH+](C)CC1(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025040836	0	49	0.0	-67.91	404.09	2.56	-65.35
CC(C)[NH+]1CCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025040899	0	55	0.0	-66.60	430.43	3.23	-63.37
C[NH+]1CCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025040915	0	49	0.0	-83.47	401.40	1.60	-81.87
CC(C)[C@H](C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025040933	0	51	0.0	-63.09	401.17	2.13	-60.96
CCC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025040963	0	54	0.0	-56.95	420.82	2.96	-53.99
CC[N@H+](C)CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041013	0	48	0.0	-63.99	395.82	1.88	-62.11
CC[N@@H+](C)CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041013	1	48	0.0	-64.16	395.82	1.89	-62.27
CC1CCC[N@@H+]1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041062	0	49	0.0	-72.95	403.24	1.59	-71.36
CC1CCC[N@H+]1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041062	1	49	0.0	-57.97	400.88	2.45	-55.52
CC1CC[N@H+](CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041064	0	49	0.0	-59.84	401.79	2.42	-57.42
CC1CC[N@@H+](CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041064	1	49	0.0	-60.00	401.10	2.43	-57.57
CC1(C)CC[N@H+](CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041068	0	52	0.0	-59.73	420.74	2.93	-56.80
CC1(C)CC[N@@H+](CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041068	1	52	0.0	-75.73	422.13	2.18	-73.55
C[N@H+](CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025041069	0	54	0.0	-60.70	422.48	3.01	-57.69
C[N@@H+](CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025041069	1	54	0.0	-75.78	427.43	2.52	-73.26
CC[C@@H](C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025041077	0	48	0.0	-58.05	385.05	1.68	-56.37
C[NH+]1CCC(O)(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025041219	0	53	0.0	-69.51	426.10	1.03	-68.48
C[NH+](C)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041230	0	42	0.0	-76.54	356.84	-0.07	-76.61
O=C(C[NH+]1CCC(CO)CC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041234	1	53	0.0	-64.39	429.13	-0.15	-64.54
O=C(C[NH+]1CCCCCC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041235	0	52	0.0	-61.27	406.80	2.74	-58.53
CN1C=C[N+](CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025041239	0	44	0.0	-74.65	388.08	3.44	-71.21
C[N@@H+]1CCCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041245	0	49	0.0	-78.10	401.41	1.55	-76.55
C[N@H+]1CCCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041245	1	49	0.0	-69.71	395.54	1.77	-67.94
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300025041250	0	50	0.0	-70.89	412.69	2.44	-68.45
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300025041250	1	50	0.0	-57.32	410.94	3.16	-54.16
CC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025041274	1	46	0.0	-61.92	385.84	1.66	-60.26
CCC(CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025041278	0	54	0.0	-71.37	431.59	2.55	-68.82
C[NH+](C)CC(C)(C)C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041285	0	51	0.0	-75.99	405.60	1.77	-74.22
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300025041300	0	51	0.0	-62.47	413.45	3.31	-59.16
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300025041300	1	51	0.0	-62.20	412.99	4.18	-58.02
O=C(C[NH+]1CCC(O)CC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041308	1	50	0.0	-64.39	408.45	-0.85	-65.24
C[N@H+](CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025041309	0	46	0.0	-59.03	384.99	2.08	-56.95
C[N@@H+](CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025041309	1	46	0.0	-58.67	385.14	2.08	-56.59
CC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300025041310	1	54	0.0	-67.34	429.04	0.50	-66.84
C[NH+]1CC(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041328	0	46	0.0	-77.67	388.29	0.76	-76.91
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CC[N@@H+]1C1CCCC1	REAL300025041332	0	53	0.0	-77.28	429.29	2.91	-74.37
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CC[N@H+]1C1CCCC1	REAL300025041332	1	53	0.0	-75.06	420.39	2.37	-72.69
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041340	0	52	0.0	-55.46	398.32	2.39	-53.07
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041340	1	52	0.0	-56.91	399.64	1.59	-55.32
C[C@@H](C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025041351	0	45	0.0	-58.86	373.40	1.00	-57.86
[N-]=[N+]=NCC(=O)NCC1CCN1C(=O)CSC1=NC(=O)NN1	REAL300025041358	0	36	0.0	-27.99	333.81	-4.47	-32.46
CCC1CCC[N@H+](CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041383	0	55	0.0	-60.42	436.70	3.79	-56.63
CCC1CCC[N@@H+](CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041383	1	55	0.0	-60.44	436.69	3.80	-56.64
C[NH+](C)CC1=CC=C(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025041390	0	50	0.0	-75.56	422.58	1.84	-73.72
[NH2+]=C1SC=CN1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041432	0	42	0.0	-59.79	382.28	0.78	-59.01
C[N@H+](CCO)CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041442	0	49	0.0	-65.33	406.17	-1.33	-66.66
C[N@@H+](CCO)CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041442	1	49	0.0	-63.14	406.05	-1.32	-64.46
C[C@@H](C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025041443	0	45	0.0	-58.86	373.40	1.00	-57.86
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041447	0	49	0.0	-73.38	389.83	1.37	-72.01
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041447	1	49	0.0	-71.84	398.66	1.54	-70.30
CC1CN2CC[N@@H+]1CC2C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041455	0	52	0.0	-85.36	409.79	-1.08	-86.44
CC1CN2CC[N@H+]1CC2C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041455	1	52	0.0	-71.03	408.54	-0.34	-71.37
O=C(C[NH+]1CCC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041517	1	43	0.0	-61.89	365.82	1.10	-60.79
C[N@@H+]1CCC(=CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041542	0	47	0.0	-69.46	393.61	2.24	-67.22
C[N@H+]1CCC(=CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041542	1	47	0.0	-69.73	394.06	2.15	-67.58
C[NH+](C)CCOCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041573	0	49	0.0	-77.95	412.72	0.99	-76.96
CCCCC[N@H+](C)CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041578	0	57	0.0	-65.31	460.32	4.19	-61.12
CCCCC[N@@H+](C)CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041578	1	57	0.0	-65.62	460.32	4.19	-61.43
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025041587	0	53	0.0	-79.27	434.12	2.16	-77.11
C=CCC(C)(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025041594	0	52	0.0	-69.61	411.69	2.02	-67.59
C[S+](C)CCC(O)C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041598	0	48	0.0	-72.95	420.58	0.33	-72.62
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041623	0	50	0.0	-68.26	403.36	-1.23	-69.49
CN1CC[N@H+](C)CC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041633	0	54	0.0	-74.02	428.14	-0.31	-74.33
CN1CC[N@@H+](C)CC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041633	1	54	0.0	-74.02	428.14	-0.31	-74.33
CC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(O)C1	REAL300025041634	0	53	0.0	-61.16	426.54	-0.42	-61.58
O=C(CN1CCC(CO)CC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041642	0	53	0.0	-64.39	429.13	-0.15	-64.54
O=C(C[NH+]1CCC(CO)CC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041642	1	53	0.0	-64.39	429.13	-0.15	-64.54
C[N@@H+]1CCCC(O)(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041651	0	53	0.0	-58.06	426.26	1.05	-57.01
C[N@H+]1CCCC(O)(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041651	1	53	0.0	-58.06	426.26	1.05	-57.01
CC1CN(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041654	0	46	0.0	-61.03	385.82	1.83	-59.20
CC1C[NH+](CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041654	1	46	0.0	-61.03	385.82	1.83	-59.20
CN(CCO)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041677	0	46	0.0	-60.84	383.81	-1.90	-62.74
C[N@H+](CCO)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041677	1	46	0.0	-62.02	383.35	-1.94	-63.96
C[N@@H+](CCO)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041677	1	46	0.0	-62.02	383.35	-1.94	-63.96
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1C[N@@H+]2CCN1CCC2	REAL300025041698	0	52	0.0	-86.73	403.59	-0.26	-86.99
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1C[N@H+]2CCN1CCC2	REAL300025041698	1	52	0.0	-86.73	403.59	-0.26	-86.99
CC[N@@H+]1CCCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041703	0	52	0.0	-62.34	417.95	2.96	-59.38
CC[N@H+]1CCCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041703	1	52	0.0	-62.34	417.95	2.96	-59.38
CC(CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025041705	0	51	0.0	-79.95	413.92	1.93	-78.02
CC[N@H+](C)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041712	0	45	0.0	-75.88	374.58	0.61	-75.27
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C12CCC[N@@H+]1CCCC2	REAL300025041731	0	53	0.0	-56.60	408.82	3.10	-53.50
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C12CCC[N@H+]1CCCC2	REAL300025041731	1	53	0.0	-56.60	408.82	3.10	-53.50
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C12CCC[N@@H+]1CC=CC2	REAL300025041736	0	51	0.0	-58.20	403.87	2.84	-55.36
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C12CCC[N@H+]1CC=CC2	REAL300025041736	1	51	0.0	-58.20	403.87	2.84	-55.36
CC[N@H+](CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025041755	0	49	0.0	-58.04	400.46	2.36	-55.68
CC[NH+](CC)CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041768	0	51	0.0	-77.74	414.42	1.86	-75.88
CC1(O)CC[N@H+](CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041812	0	50	0.0	-74.85	413.08	-1.66	-76.51
C[NH+](C)CC=CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041819	0	46	0.0	-81.85	392.81	1.15	-80.70
CC(OCC[NH+](C)C)C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041837	0	52	0.0	-78.13	432.41	1.69	-76.44
C[NH+](C)CCOCCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041844	0	52	0.0	-78.05	433.57	0.74	-77.31
COCCN(C)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041845	0	49	0.0	-62.25	405.59	0.45	-61.80
COCC[N@H+](C)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041845	1	49	0.0	-60.71	406.06	0.52	-60.19
COCC[N@@H+](C)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041845	1	49	0.0	-60.71	406.06	0.52	-60.19
C[NH+](C)C1(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025041872	0	52	0.0	-53.07	398.96	3.21	-49.86
CC(CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025041875	0	51	0.0	-82.01	410.29	1.67	-80.34
CCN1CCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041881	0	46	0.0	-75.44	380.87	0.79	-74.65
CC[N@@H+]1CCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041881	1	46	0.0	-60.60	387.36	1.71	-58.89
CC[N@H+]1CCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041881	1	46	0.0	-60.60	387.36	1.71	-58.89
CC(C)[N@@H+]1CCCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041889	0	55	0.0	-55.03	428.20	3.67	-51.36
CC(C)[N@H+]1CCCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025041889	1	55	0.0	-55.03	428.20	3.67	-51.36
O=C(C[N@H+]1CCCC1CO)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041900	0	50	0.0	-75.14	406.85	-2.00	-77.14
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300025041922	0	53	0.0	-66.51	423.16	3.37	-63.14
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CC2CCCC[N@H+]2C1	REAL300025041922	1	53	0.0	-66.51	423.16	3.37	-63.14
C[NH+]1CCC(C)(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025041928	0	52	0.0	-77.58	414.16	2.01	-75.57
C[NH+](C)CC1=CNC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025041934	0	50	0.0	-83.68	423.60	1.26	-82.42
CC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)N1CCC(O)CC1	REAL300025041948	0	53	0.0	-63.78	426.53	-0.42	-64.20
CC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300025041948	1	53	0.0	-63.78	426.53	-0.42	-64.20
C=CCC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025041954	0	49	0.0	-76.59	404.26	1.57	-75.02
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041964	0	52	0.0	-72.59	418.50	1.98	-70.61
C[NH+](C)CCCCCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041967	0	54	0.0	-80.12	443.71	2.85	-77.27
CC1C[N@@H+]2CCN1C(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025042000	0	52	0.0	-87.95	410.08	-0.98	-88.93
CC1C[N@H+]2CCN1C(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025042000	1	52	0.0	-87.95	410.08	-0.98	-88.93
CCCC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025042001	0	51	0.0	-76.44	411.87	1.84	-74.60
C[NH+](C)C(C)(C)C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042005	0	48	0.0	-80.98	384.64	0.92	-80.06
C[N@@H+]1CCCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042039	0	49	0.0	-73.27	398.66	1.54	-71.73
C[N@H+]1CC=C(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025042071	0	50	0.0	-73.46	416.03	2.26	-71.20
C[N@@H+]1CC=C(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025042071	1	50	0.0	-73.46	416.03	2.26	-71.20
O=C(CC1([NH+]2CCCC2)CC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042079	0	53	0.0	-60.24	420.13	3.36	-56.88
CN(C)CC1=CC=C(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025042118	0	49	0.0	-73.10	419.75	2.41	-70.69
C[NH+](C)CC1=CC=C(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025042118	1	49	0.0	-73.10	419.75	2.41	-70.69
O=C(C=CC[NH+]1CCCC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042132	0	50	0.0	-65.86	416.28	2.94	-62.92
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CC[NH+](C2CC2)CC1	REAL300025042151	0	53	0.0	-66.50	424.63	3.48	-63.02
C[NH+](C)C1(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025042169	0	46	0.0	-62.65	382.99	1.47	-61.18
O=C(CC[NH+]1CCCC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042171	0	49	0.0	-64.16	403.32	2.35	-61.81
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1C[NH+]2CCN1CC2	REAL300025042204	0	49	0.0	-87.01	393.24	-1.59	-88.60
C[N@@H+]1CC2CC1(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025042213	0	47	0.0	-80.13	387.82	1.09	-79.04
C[N@H+]1CC2CC1(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025042213	1	47	0.0	-80.65	388.05	1.04	-79.61
O=C(C[N@@H+]1CC2CCC1C2)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042224	0	50	0.0	-59.93	399.02	2.54	-57.39
O=C(C[N@H+]1CC2CCC1C2)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042224	1	50	0.0	-74.29	403.44	2.03	-72.26
O=C(C=C1C[NH+]2CCC1CC2)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042261	0	51	0.0	-64.06	411.86	3.05	-61.01
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042271	1	48	0.0	-72.56	395.67	1.80	-70.76
O=C(C[N@H+]1CC2C=CC1C2)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042271	1	48	0.0	-57.52	394.30	2.49	-55.03
CC[NH+]1CCN(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025042299	0	54	0.0	-63.33	432.11	0.85	-62.48
CC(C[NH+](C)C)C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042313	0	48	0.0	-69.58	394.73	1.30	-68.28
C[N@@H+]1CCCCC1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042376	0	52	0.0	-69.61	408.92	1.98	-67.63
C[N@H+]1CCCCC1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042376	1	52	0.0	-69.81	408.59	1.99	-67.82
CC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025042390	1	49	0.0	-58.89	404.92	2.37	-56.52
CC1CC[N@@H+]1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042393	1	46	0.0	-74.15	382.96	0.75	-73.40
CC1CC[N@H+]1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042393	1	46	0.0	-75.10	388.17	1.02	-74.08
C[NH+](C)CC(O)CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042396	0	49	0.0	-83.26	409.37	-1.03	-84.29
CC1C[N@H+](C)CC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025042420	1	50	0.0	-72.27	407.20	1.71	-70.56
CC1C[N@@H+](C)CC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025042420	1	50	0.0	-89.90	415.49	1.12	-88.78
O=C(CC[NH+]1CCC(O)CC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042428	0	53	0.0	-67.13	430.36	-0.27	-67.40
CCC[N@@H+]1CCCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042430	0	55	0.0	-55.85	436.09	3.66	-52.19
CCC[N@H+]1CCCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042430	1	55	0.0	-72.07	438.14	2.91	-69.16
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025042490	0	49	0.0	-77.32	406.59	1.66	-75.66
CC(CC[NH+](C)C)C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042497	0	51	0.0	-78.66	416.88	1.82	-76.84
C[N@H+](CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300025042515	0	53	0.0	-59.12	426.73	-0.10	-59.22
C[N@@H+](CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300025042515	1	53	0.0	-59.53	426.61	0.08	-59.45
C#CC[N@H+]1CCCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042520	1	51	0.0	-57.47	413.29	3.25	-54.22
C#CC[N@@H+]1CCCCC1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042520	1	51	0.0	-60.02	413.06	3.24	-56.78
C[NH+]1CCN(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025042523	1	51	0.0	-65.63	414.23	0.12	-65.51
CC[NH+]1CCN(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025042531	0	54	0.0	-63.33	432.11	0.85	-62.48
C[N@@H+]1CCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025042701	0	46	0.0	-72.52	376.21	0.40	-72.12
C[N@H+]1CCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025042701	1	46	0.0	-70.41	381.82	0.93	-69.48
C[N@@H+]1CCOC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025042727	1	47	0.0	-88.83	392.44	0.25	-88.58
C[N@H+]1CCOC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025042727	1	47	0.0	-76.14	382.56	0.01	-76.13
CC1=[NH+]C=CN1CCCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025042884	1	50	0.0	-66.88	426.18	3.49	-63.39
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CC[NH+]1CCOCC1	REAL300025042888	1	50	0.0	-73.40	410.48	0.59	-72.81
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C12CCC[NH+]1CCC2	REAL300025042908	0	50	0.0	-65.38	396.61	2.27	-63.11
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300025042916	1	44	0.0	-77.36	378.09	4.04	-73.32
C[NH+](C)C1CCCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025042964	0	55	0.0	-74.37	433.39	2.53	-71.84
C[N@@H+]1CCC(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025042966	0	49	0.0	-78.20	403.65	1.53	-76.67
C[N@H+]1CCC(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025042966	1	49	0.0	-76.30	403.01	1.54	-74.76
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025042977	0	48	0.0	-80.46	401.75	0.96	-79.50
CCC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025042982	0	48	0.0	-66.21	383.79	1.60	-64.61
C[NH+](C)CCCCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043034	0	51	0.0	-78.05	422.21	2.07	-75.98
CC(C)C(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025043054	0	51	0.0	-68.39	397.51	2.46	-65.93
CCC[N@H+](C)CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043056	0	51	0.0	-76.45	418.44	1.89	-74.56
CCC[N@@H+](C)CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043056	1	51	0.0	-76.51	418.44	1.90	-74.61
CCC[N@H+](C)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043061	0	48	0.0	-73.05	396.07	1.34	-71.71
CCC[N@@H+](C)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043061	1	48	0.0	-73.00	396.07	1.35	-71.65
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300025043081	0	50	0.0	-76.42	393.91	0.89	-75.53
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300025043081	1	50	0.0	-71.14	391.94	1.56	-69.58
CCCCCC[N@H+](C)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043104	0	57	0.0	-74.31	460.56	3.69	-70.62
CCCCCC[N@@H+](C)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043104	1	57	0.0	-74.22	460.57	3.70	-70.52
CC[NH+](CC)C(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025043107	0	57	0.0	-64.94	437.83	3.63	-61.31
CC1CC[NH+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025043136	0	52	0.0	-73.58	419.41	2.41	-71.17
C[NH+]1CCC(OCC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025043159	0	53	0.0	-77.50	435.16	2.64	-74.86
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300025043198	0	53	0.0	-72.92	422.17	2.51	-70.41
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300025043198	1	53	0.0	-71.75	424.01	2.66	-69.09
C[NH+](C)CC1(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025043207	0	49	0.0	-79.99	393.90	2.24	-77.75
CC(C)[NH+]1CCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025043217	0	55	0.0	-77.83	430.07	2.37	-75.46
CC[N@H+](C)CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043233	0	48	0.0	-70.46	395.82	1.88	-68.58
CC[N@@H+](C)CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043233	1	48	0.0	-75.71	396.94	1.16	-74.55
CC(C)(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300025043254	0	55	0.0	-75.09	421.84	2.87	-72.22
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300025043262	0	50	0.0	-80.63	394.51	1.53	-79.10
C[NH+]1CCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025043325	0	49	0.0	-79.93	396.66	1.34	-78.59
CC(C)[C@H](C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025043343	0	51	0.0	-66.37	398.99	2.89	-63.48
CC[NH+](CC)CC(F)C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043426	0	51	0.0	-69.75	413.21	2.25	-67.50
CC(C)C[N@@H+]1CCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025043454	0	55	0.0	-69.09	437.11	3.53	-65.56
CC(C)C[N@H+]1CCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025043454	1	55	0.0	-73.12	438.86	2.81	-70.31
C[NH+](C)C1(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025043457	0	49	0.0	-73.68	383.34	2.04	-71.64
CCC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025043487	0	54	0.0	-62.70	414.02	3.11	-59.59
CC1CCC[N@@H+]1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043504	0	49	0.0	-69.20	395.91	1.31	-67.89
CC1CCC[N@H+]1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043504	1	49	0.0	-69.43	395.91	1.30	-68.13
CC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300025043552	0	55	0.0	-65.52	425.69	3.04	-62.48
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043554	0	55	0.0	-68.04	421.79	2.30	-65.74
CC(C)[N@H+]1CCCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043554	1	55	0.0	-64.53	415.35	3.09	-61.44
CC(C)[N@@H+]1CCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043574	0	52	0.0	-68.88	416.18	2.04	-66.84
CC(C)[N@H+]1CCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043574	1	52	0.0	-69.38	415.10	2.03	-67.35
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043580	0	55	0.0	-61.91	422.65	3.11	-58.80
CC(C)[N@H+]1CCCC1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043580	1	55	0.0	-62.66	424.49	2.72	-59.94
CC(C)[C@@H](C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025043591	0	51	0.0	-73.44	401.76	1.63	-71.81
CC1CC[N@H+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025043609	0	49	0.0	-72.28	402.95	1.68	-70.60
CC1CC[N@@H+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025043609	1	49	0.0	-72.26	402.73	1.66	-70.60
CC1(C)CC[N@H+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025043613	0	52	0.0	-72.01	422.26	2.19	-69.82
CC1(C)CC[N@@H+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025043613	1	52	0.0	-72.40	422.48	2.19	-70.21
C[N@H+](CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025043614	0	54	0.0	-73.13	424.10	2.34	-70.79
C[N@@H+](CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025043614	1	54	0.0	-72.55	427.19	2.48	-70.07
CC[C@@H](C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025043622	0	48	0.0	-67.86	382.82	2.01	-65.85
CC1=[NH+]C=CN1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043792	1	44	0.0	-69.76	386.30	1.55	-68.21
CC(C[NH+]1CCOCC1)C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043793	0	53	0.0	-72.90	427.48	1.30	-71.60
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CCC[NH+]1CCCCC1	REAL300025043808	0	55	0.0	-70.20	440.71	3.82	-66.38
C[NH+](C)CC1=CC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300025043820	1	48	0.0	-77.08	410.47	1.69	-75.39
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043849	1	50	0.0	-68.91	422.60	2.67	-66.24
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300025043877	0	53	0.0	-69.82	410.46	2.14	-67.68
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300025043877	1	53	0.0	-69.55	409.13	2.17	-67.38
CC[N@@H+]1CCOC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025043891	1	50	0.0	-71.04	399.76	1.38	-69.66
CC[N@H+]1CCOC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025043891	1	50	0.0	-87.02	409.78	0.86	-86.16
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300025043931	0	44	0.0	-70.81	377.82	4.03	-66.78
CC1=C[NH+]=CN1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043936	1	44	0.0	-72.34	386.61	2.27	-70.07
C[C@@H]1[C@H](C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025043945	0	49	0.0	-75.12	394.26	1.16	-73.96
C[C@@H]1[C@H](C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025043945	1	49	0.0	-72.10	398.40	1.84	-70.26
CC[C@@H]1[C@@H](C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025043949	0	52	0.0	-70.53	410.02	2.20	-68.33
CC[C@@H]1[C@@H](C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025043949	1	52	0.0	-76.31	422.66	2.14	-74.17
CC1CCC(C)[NH+]1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043960	0	52	0.0	-65.08	413.03	2.52	-62.56
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CCC[NH+]1CCCC1	REAL300025043966	0	52	0.0	-69.83	425.04	3.12	-66.71
C#CC[NH+]1CCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025043971	0	51	0.0	-81.06	424.58	2.61	-78.45
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CC[NH+]1CCCCC1	REAL300025043972	0	52	0.0	-74.87	420.85	2.36	-72.51
CC[N@@H+]1CCCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043977	0	52	0.0	-65.81	403.32	2.44	-63.37
CC[N@H+]1CCCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025043977	1	52	0.0	-65.89	402.04	2.49	-63.40
C[NH+](C)C1(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025044010	0	55	0.0	-77.85	420.45	2.39	-75.46
C[N@H+](CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025044131	0	49	0.0	-66.39	401.96	2.63	-63.76
C[N@@H+](CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025044131	1	49	0.0	-70.97	402.96	1.90	-69.07
CC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300025044148	0	55	0.0	-63.53	420.64	3.06	-60.47
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CCCC[NH+]1CCCC1	REAL300025044160	0	55	0.0	-70.75	446.54	3.89	-66.86
C[NH+]1CCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025044171	0	49	0.0	-79.93	396.66	1.34	-78.59
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044206	0	46	0.0	-73.76	376.18	0.40	-73.36
C[N@H+]1CCC[C@@H]1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044206	1	46	0.0	-70.44	379.68	0.84	-69.60
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044227	1	48	0.0	-69.87	402.81	1.63	-68.24
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044227	1	48	0.0	-71.48	408.71	2.20	-69.28
C[N@@H+]1CCCC1CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044232	0	52	0.0	-73.22	423.11	3.15	-70.07
C[N@H+]1CCCC1CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044232	1	52	0.0	-67.76	417.40	2.68	-65.08
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C12CCC[NH+](CCC1)C2	REAL300025044239	0	53	0.0	-75.37	407.46	1.72	-73.65
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300025044242	0	53	0.0	-68.68	424.25	2.86	-65.82
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300025044242	1	53	0.0	-64.44	422.56	3.52	-60.92
CCC[N@@H+]1CCCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025044304	0	55	0.0	-61.98	425.66	3.83	-58.15
CCC[N@H+]1CCCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025044304	1	55	0.0	-61.56	429.68	3.63	-57.93
CC(C)[N@@H+]1CCOC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025044318	1	53	0.0	-83.09	425.22	1.38	-81.71
CC(C)[N@H+]1CCOC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025044318	1	53	0.0	-73.53	418.42	1.22	-72.31
C[N@@H+]1CCCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044339	0	49	0.0	-64.61	397.10	2.21	-62.40
C[N@H+]1CCCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044339	1	49	0.0	-66.29	393.87	2.42	-63.87
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044359	0	55	0.0	-70.63	441.78	3.11	-67.52
CC(C)C[N@H+]1CCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044359	1	55	0.0	-72.30	435.20	2.54	-69.76
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300025044372	0	53	0.0	-75.82	430.98	-0.90	-76.72
CC1C(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025044413	0	49	0.0	-75.97	403.24	1.33	-74.64
CC1C(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025044413	1	49	0.0	-79.80	393.92	0.99	-78.81
C[N@@H+]1CCCCC1CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044415	0	55	0.0	-74.94	429.17	3.33	-71.61
C[N@H+]1CCCCC1CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044415	1	55	0.0	-73.44	429.70	3.39	-70.05
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044493	0	52	0.0	-70.55	397.38	1.19	-69.36
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044493	1	52	0.0	-71.54	419.16	1.67	-69.87
C[C@@H](C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025044511	0	45	0.0	-66.40	372.99	1.07	-65.33
C=CCC(C)(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025044525	0	52	0.0	-62.51	400.57	2.62	-59.89
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CC[NH+]1CCCC1	REAL300025044545	0	49	0.0	-70.34	403.54	2.31	-68.03
C[N@H+](CCO)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044555	1	46	0.0	-73.72	384.93	-2.63	-76.35
C[N@@H+](CCO)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044555	1	46	0.0	-73.62	385.10	-2.64	-76.26
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1C[N@@H+]2CCN1CCC2	REAL300025044588	0	52	0.0	-83.56	399.93	0.12	-83.44
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1C[N@H+]2CCN1CCC2	REAL300025044588	1	52	0.0	-84.81	399.78	-0.57	-85.38
C[N@H+]1CC=C(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025044634	0	50	0.0	-72.94	416.00	2.25	-70.69
C[N@@H+]1CC=C(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025044634	1	50	0.0	-70.80	416.05	2.25	-68.55
C[S+](C)CCC(O)C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044648	0	48	0.0	-80.37	417.44	-0.01	-80.38
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044666	0	50	0.0	-81.52	400.34	-2.27	-83.79
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044666	1	50	0.0	-84.92	397.92	-2.22	-87.14
CN1CC[N@H+](C)CC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025044676	0	54	0.0	-68.94	429.65	0.69	-68.25
CN1CC[N@@H+](C)CC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025044676	1	54	0.0	-71.92	422.05	-0.24	-72.16
CC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(O)C1	REAL300025044677	0	53	0.0	-67.60	423.99	-0.34	-67.94
CC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCCC(O)C1	REAL300025044677	1	53	0.0	-71.67	425.26	-0.96	-72.63
C[N@@H+]1CCCC(O)(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025044705	0	53	0.0	-70.16	417.72	0.07	-70.09
C[N@H+]1CCCC(O)(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025044705	1	53	0.0	-74.39	414.51	0.18	-74.21
CC1C[NH+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025044709	1	46	0.0	-74.02	387.23	1.08	-72.94
CC[N@@H+]1CCCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025044715	0	52	0.0	-62.30	408.92	2.87	-59.43
CC[N@H+]1CCCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025044715	1	52	0.0	-67.09	410.65	2.15	-64.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300025044731	0	50	0.0	-72.67	408.96	1.87	-70.80
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300025044731	1	50	0.0	-67.85	403.05	2.36	-65.49
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C=CC[NH+]1CCCC1	REAL300025044766	0	50	0.0	-72.53	416.88	3.09	-69.44
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300025044784	0	53	0.0	-77.16	421.51	2.54	-74.62
CC[N@H+](C)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044822	0	45	0.0	-72.76	374.59	0.62	-72.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CN1CC2C=CC1C2	REAL300025044867	0	48	0.0	-69.22	395.68	1.80	-67.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025044867	1	48	0.0	-64.36	394.81	2.53	-61.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300025044867	1	48	0.0	-64.36	394.81	2.53	-61.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C12CCC[N@@H+]1CCCC2	REAL300025044973	0	53	0.0	-62.87	401.97	3.00	-59.87
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C12CCC[N@H+]1CCCC2	REAL300025044973	1	53	0.0	-62.87	401.97	3.00	-59.87
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C12CCC[N@@H+]1CC=CC2	REAL300025044979	0	51	0.0	-64.37	399.53	2.52	-61.85
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C12CCC[N@H+]1CC=CC2	REAL300025044979	1	51	0.0	-64.37	399.53	2.52	-61.85
CC(OCC[NH+](C)C)C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044988	0	52	0.0	-75.86	429.55	1.54	-74.32
C[NH+](C)CCOCCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044996	0	52	0.0	-70.66	432.04	1.38	-69.28
COCCN(C)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044998	0	49	0.0	-73.51	407.35	-0.24	-73.75
COCC[N@H+](C)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044998	1	49	0.0	-73.88	407.18	-0.23	-74.11
COCC[N@@H+](C)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025044998	1	49	0.0	-73.88	407.18	-0.23	-74.11
CC(CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025045003	0	51	0.0	-74.28	408.65	2.32	-71.96
CC[N@H+](CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025045025	0	49	0.0	-66.47	400.96	2.57	-63.90
CC1C[N@@H+]2CCN1C(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025045040	0	52	0.0	-73.56	400.31	-0.24	-73.80
C[N@@H+]1CC2CC1(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025045062	0	47	0.0	-75.03	374.37	2.15	-72.88
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300025045075	0	50	0.0	-71.02	403.31	2.03	-68.99
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300025045075	1	50	0.0	-71.02	403.31	2.03	-68.99
CC(C[NH+](C)C)C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045094	0	48	0.0	-67.47	394.44	1.90	-65.57
CCN1CCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045138	0	46	0.0	-72.84	378.84	0.60	-72.24
CC[N@@H+]1CCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045138	1	46	0.0	-73.39	388.79	0.89	-72.50
CC[N@H+]1CCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045138	1	46	0.0	-73.39	388.79	0.89	-72.50
CC(C)[N@@H+]1CCCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025045148	0	55	0.0	-66.79	427.27	2.66	-64.13
CC(C)[N@H+]1CCCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025045148	1	55	0.0	-66.79	427.27	2.66	-64.13
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045160	0	54	0.0	-68.20	421.66	1.33	-66.87
C#CC[N@H+]1CCCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045199	1	51	0.0	-70.17	412.58	2.29	-67.88
C#CC[N@@H+]1CCCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045199	1	51	0.0	-68.93	423.81	2.71	-66.22
NC1=CC=[NH+]C=C1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045201	0	42	0.0	-73.12	358.97	-1.02	-74.14
CCCC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025045210	0	51	0.0	-66.90	405.31	2.38	-64.52
C[NH+](C)C(C)(C)C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045217	0	48	0.0	-74.57	373.04	1.90	-72.67
CC(CC[NH+](C)C)C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045235	0	51	0.0	-72.10	416.44	2.50	-69.60
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300025045292	0	51	0.0	-65.34	410.31	2.64	-62.70
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300025045292	1	51	0.0	-72.08	402.01	4.07	-68.01
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045321	0	52	0.0	-71.00	415.55	1.58	-69.42
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045321	1	52	0.0	-66.28	419.33	2.78	-63.50
C[NH+](C)CCCCCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045324	0	54	0.0	-71.52	442.59	3.57	-67.95
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CC[NH+]1CCC(O)CC1	REAL300025045328	0	53	0.0	-78.21	431.49	-1.02	-79.23
CCC[N@@H+]1CCCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045332	0	55	0.0	-66.72	424.07	3.20	-63.52
CCC[N@H+]1CCCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045332	1	55	0.0	-66.69	436.83	3.54	-63.15
C[NH+]1CCN(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025045341	1	51	0.0	-74.88	415.61	-0.59	-75.47
CC1C[N@H+](C)CC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025045423	1	50	0.0	-90.35	406.38	0.55	-89.80
CC1C[N@@H+](C)CC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025045423	1	50	0.0	-88.04	404.64	0.54	-87.50
CCC1CCC[N@H+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025045452	0	55	0.0	-69.80	436.20	3.71	-66.09
CCC1CCC[N@@H+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025045452	1	55	0.0	-73.19	437.84	3.05	-70.14
C[NH+](C)CC1=CC=C(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025045460	0	50	0.0	-90.75	419.29	1.35	-89.40
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[NH+]1CC2CC2C1	REAL300025045473	0	47	0.0	-73.15	391.39	1.76	-71.39
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CC1([NH+]2CCCC2)CC1	REAL300025045484	0	53	0.0	-71.12	422.07	2.67	-68.45
C[N@@H+]1CCCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045517	0	49	0.0	-64.61	397.10	2.21	-62.40
C[N@H+]1CCCCC1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045517	1	49	0.0	-66.29	393.87	2.42	-63.87
C[N@@H+]1CCC(=CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025045616	0	47	0.0	-72.09	392.29	2.21	-69.88
C[N@H+]1CCC(=CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025045616	1	47	0.0	-71.93	392.07	2.25	-69.68
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300025045621	0	45	0.0	-70.69	390.93	-0.14	-70.83
[N-]=[N+]=NCC(=O)N1CCC1CNC(=O)CSC1=NC(=O)NN1	REAL300025045665	0	36	0.0	-23.21	331.28	-3.72	-26.93
CC[NH+]1CCN(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025045672	0	54	0.0	-73.11	433.12	0.07	-73.04
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C=C1C[NH+]2CCC1CC2	REAL300025045675	0	51	0.0	-62.25	411.07	3.10	-59.15
C[NH+](C)C1(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025045708	0	52	0.0	-78.05	398.22	3.08	-74.97
C[N@H+](CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300025045716	0	53	0.0	-63.69	426.33	0.04	-63.65
C[N@@H+](CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300025045716	1	53	0.0	-70.58	427.47	-0.81	-71.39
CCC1C[NH+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025045719	0	49	0.0	-74.02	409.80	1.81	-72.21
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1([NH+]2CCCC2)CCC1	REAL300025045722	0	53	0.0	-70.86	412.49	2.93	-67.93
C[N@@H+]1CCC[C@H]1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045734	0	46	0.0	-66.05	380.25	1.54	-64.51
C[N@H+]1CCC[C@H]1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045734	1	46	0.0	-67.04	374.73	1.10	-65.94
CCN1CCOCC1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045756	0	53	0.0	-74.99	421.04	0.24	-74.75
CC[N@@H+]1CCOCC1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045756	1	53	0.0	-75.54	420.66	0.28	-75.26
CC[N@H+]1CCOCC1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045756	1	53	0.0	-75.54	420.66	0.28	-75.26
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025045860	0	49	0.0	-76.69	406.78	1.65	-75.04
C[NH+](C)C1CCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025045871	0	55	0.0	-72.77	427.10	2.44	-70.33
C[NH+](C)CCC1(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025045872	0	52	0.0	-70.58	433.04	2.92	-67.66
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025045873	0	55	0.0	-60.86	420.02	3.40	-57.46
C[N@@H+]1CC=CCC1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045874	0	50	0.0	-67.24	403.08	1.93	-65.31
C[N@H+]1CC=CCC1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045874	1	50	0.0	-67.24	403.08	1.93	-65.31
C[NH+](C)CCOCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045926	0	49	0.0	-75.17	412.72	0.98	-74.19
CCCCC[N@H+](C)CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045931	0	57	0.0	-77.44	461.44	3.45	-73.99
CCCCC[N@@H+](C)CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045931	1	57	0.0	-77.44	461.44	3.45	-73.99
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025045942	0	53	0.0	-70.33	433.17	2.51	-67.82
[NH2+]=C1SC=CN1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045965	0	42	0.0	-70.02	383.92	0.12	-69.90
C[C@@H](OCC[NH+](C)C)C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046030	0	52	0.0	-71.64	430.28	1.51	-70.13
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CC[NH+]1CCCCCC1	REAL300025046061	0	55	0.0	-72.23	429.23	3.21	-69.02
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[NH+]1CCCCC1	REAL300025046064	0	49	0.0	-68.75	397.46	2.51	-66.24
C[N@@H+]1CCCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025046066	0	49	0.0	-60.77	386.53	2.45	-58.32
C[N@H+]1CCCC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025046066	1	49	0.0	-69.67	397.52	2.03	-67.64
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300025046067	0	53	0.0	-75.82	430.98	-0.90	-76.72
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[NH+]1CCCCCC1	REAL300025046068	0	52	0.0	-68.23	406.70	2.69	-65.54
CN1C=C[N+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025046073	0	44	0.0	-70.79	388.09	3.45	-67.34
C[NH+](C)CC1=CC=C(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025046088	1	49	0.0	-82.43	416.85	2.45	-79.98
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[NH+]1CCC(O)CC1	REAL300025046103	1	50	0.0	-76.68	409.65	-1.55	-78.23
C[N@@H+](CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025046107	1	46	0.0	-66.42	384.62	1.99	-64.43
CC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300025046109	1	54	0.0	-74.30	425.51	-0.50	-74.80
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CC[N@@H+]1CCC(F)C1	REAL300025046111	1	49	0.0	-80.37	411.10	1.74	-78.63
COC1C[N@@H+](C)C(C)(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025046120	1	53	0.0	-76.15	418.49	0.63	-75.52
CCOCC(N=[N+]=[N-])C(=O)N1CCC1CNC(=O)CSC1=NC(=O)NN1	REAL300025046128	0	46	0.0	-23.38	407.17	-2.95	-26.33
CC(CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025046136	0	51	0.0	-71.20	412.40	2.59	-68.61
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CC[N@@H+]2CCOCC12	REAL300025046148	0	51	0.0	-66.90	409.41	0.87	-66.03
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CC[N@H+]2CCOCC12	REAL300025046148	1	51	0.0	-65.18	408.17	0.85	-64.33
C[N@@H+]1CCOCC1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046165	1	50	0.0	-80.99	407.34	-0.23	-81.22
C[N@H+]1CCOCC1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046165	1	50	0.0	-62.32	398.91	0.32	-62.00
CC[NH+]1CCN(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025046173	0	54	0.0	-73.11	433.12	0.07	-73.04
CC1(O)CC[N@H+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025046262	0	50	0.0	-73.34	413.27	-1.67	-75.01
CC1(O)CC[N@@H+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025046262	1	50	0.0	-73.36	413.42	-1.65	-75.01
C[NH+]1CC(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025046294	0	46	0.0	-69.14	386.66	1.41	-67.73
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CC[N@@H+]1C1CCCC1	REAL300025046298	0	53	0.0	-74.73	429.22	2.91	-71.82
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CC[N@H+]1C1CCCC1	REAL300025046298	1	53	0.0	-74.14	427.77	2.69	-71.45
C[NH+](C)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046306	0	42	0.0	-69.07	355.21	0.58	-68.49
C[N@H+](CCO)CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046332	0	49	0.0	-75.72	407.29	-2.08	-77.80
C[N@@H+](CCO)CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046332	1	49	0.0	-74.93	407.19	-2.09	-77.02
C[C@@H](C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025046333	0	45	0.0	-66.40	372.99	1.07	-65.33
C[N@@H+]1CCCCC1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046350	0	52	0.0	-77.03	416.44	2.12	-74.91
C[N@H+]1CCCCC1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046350	1	52	0.0	-62.85	407.46	2.71	-60.14
CC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025046367	0	49	0.0	-66.76	399.57	2.48	-64.28
CC1CC[N@@H+]1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046371	1	46	0.0	-72.04	388.20	1.01	-71.03
CC1CC[N@H+]1CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046371	1	46	0.0	-72.29	388.54	1.01	-71.28
C[NH+](C)CC=CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046382	0	46	0.0	-73.69	391.80	1.92	-71.77
CC1(C)C[NH+](CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025046393	1	49	0.0	-69.75	406.33	2.30	-67.45
CC1=C(C)[NH+]=C(CCC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025046408	1	50	0.0	-65.00	425.96	1.94	-63.06
C[NH+](C)CCSCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046425	0	49	0.0	-81.81	423.74	1.87	-79.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[N@H+]1CCCC1CO	REAL300025046448	0	50	0.0	-70.40	402.52	-1.53	-71.93
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[N@@H+]1CCCC1CO	REAL300025046448	1	50	0.0	-72.06	406.50	-1.99	-74.05
CC[NH+](CC)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046452	0	48	0.0	-67.20	386.29	1.66	-65.54
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[NH+]1CCC1	REAL300025046463	1	43	0.0	-68.61	366.02	1.13	-67.48
CC[NH+](CC)CCC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046503	0	51	0.0	-70.00	412.81	2.50	-67.50
C[NH+](C)CC1=CNC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025046560	0	50	0.0	-82.26	419.05	1.24	-81.02
CC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300025046577	0	53	0.0	-73.58	419.33	-1.49	-75.07
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CC2COCC[N@@H+]2C1	REAL300025046581	0	51	0.0	-76.69	415.04	0.28	-76.41
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CC2COCC[N@H+]2C1	REAL300025046581	1	51	0.0	-68.72	413.25	0.97	-67.75
CC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025046592	1	46	0.0	-67.94	382.66	1.91	-66.03
CCC(CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025046597	0	54	0.0	-77.07	431.59	3.24	-73.83
C[NH+](C)CC(C)(C)C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046605	0	51	0.0	-69.04	395.77	2.27	-66.77
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046657	0	49	0.0	-70.71	387.43	1.14	-69.57
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046657	1	49	0.0	-69.85	398.23	1.51	-68.34
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046671	0	52	0.0	-79.84	406.26	-1.35	-81.19
CC1CN2CC[N@H+]1CC2C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046671	1	52	0.0	-82.62	408.40	-1.17	-83.79
C[NH+](C)CC(O)CC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025046691	0	49	0.0	-74.11	407.77	-0.47	-74.58
C[NH+]1C2CCC1CC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025046693	0	53	0.0	-75.80	393.55	2.02	-73.78
C=CCC(C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025046723	0	49	0.0	-65.74	396.85	2.09	-63.65
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CC2CCCC[N@@H+]2C1	REAL300025046730	0	53	0.0	-72.92	422.17	2.51	-70.41
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1CC2CCCC[N@H+]2C1	REAL300025046730	1	53	0.0	-71.75	424.01	2.66	-69.09
C[NH+]1CCC(C)(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025046741	0	52	0.0	-65.84	405.88	2.23	-63.61
C[NH+]1CCC(O)(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025046743	0	53	0.0	-76.11	427.39	0.24	-75.87
NC(=[NH2+])SCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025046767	0	40	0.0	-79.62	364.76	-3.12	-82.74
CC[N@@H+]1CCOCC1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025046794	0	53	0.0	-78.48	420.14	0.30	-78.18
C[NH+](C)C1CCC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025046807	0	55	0.0	-75.30	429.14	2.62	-72.68
C[NH+](C)CCC1(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025046808	0	52	0.0	-64.21	426.98	3.23	-60.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025046809	0	55	0.0	-70.62	429.16	2.62	-68.00
C[N@@H+]1CC=CCC1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025046810	0	50	0.0	-68.14	403.03	1.93	-66.21
C[N@H+]1CC=CCC1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025046810	1	50	0.0	-68.14	403.03	1.93	-66.21
C[C@@H](OCC[NH+](C)C)C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025046831	0	52	0.0	-67.56	431.39	2.41	-65.15
C[NH+]1C2CCC1CC(C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025046855	0	53	0.0	-76.01	399.67	2.48	-73.53
CCC1C[NH+](CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025046947	1	49	0.0	-62.00	408.05	2.51	-59.49
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1([NH+]2CCCC2)CCC1	REAL300025046949	0	53	0.0	-61.67	415.14	3.32	-58.35
C[N@H+]1CCC[C@H]1C(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025046956	1	46	0.0	-76.64	377.07	0.49	-76.15
O=C(CC[N@@H+]1CCC(F)C1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025046963	1	49	0.0	-81.54	411.07	1.76	-79.78
COC1C[N@@H+](C)C(C)(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025046971	1	53	0.0	-67.37	425.49	1.35	-66.02
O=C(CC[NH+]1CCCCCC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025046978	0	55	0.0	-63.91	429.40	3.27	-60.64
O=C(C[NH+]1CCCCC1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025046980	0	49	0.0	-59.98	397.45	2.55	-57.43
CC1C(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025046989	0	49	0.0	-77.47	399.42	1.29	-76.18
CC1C(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025046989	1	49	0.0	-78.31	394.76	1.05	-77.26
C[N@@H+]1CCCCC1CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025046991	0	55	0.0	-76.66	438.09	2.85	-73.81
C[N@H+]1CCCCC1CCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025046991	1	55	0.0	-75.75	437.90	2.87	-72.88
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CC[N@@H+]2CCOCC12	REAL300025047013	0	51	0.0	-73.78	411.75	0.25	-73.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CC[N@H+]2CCOCC12	REAL300025047013	1	51	0.0	-62.19	410.02	0.83	-61.36
CN1CCOCC1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025047030	0	50	0.0	-73.02	399.97	-0.39	-73.41
C[N@@H+]1CCOCC1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025047030	1	50	0.0	-72.89	400.29	-0.39	-73.28
C[N@H+]1CCOCC1CC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025047030	1	50	0.0	-73.02	399.97	-0.39	-73.41
CC1=C(C)[NH+]=C(CCC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025047037	1	50	0.0	-59.27	425.96	1.96	-57.31
CCOCC(N=[N+]=[N-])C(=O)NCC1CCN1C(=O)CSC1=NC(=O)NN1	REAL300025047041	0	46	0.0	-27.01	408.79	-3.60	-30.61
C[NH+](C)CCSCC(=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025047111	0	49	0.0	-84.28	423.74	1.86	-82.42
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CC2COCC[N@@H+]2C1	REAL300025047117	0	51	0.0	-64.63	414.58	0.99	-63.64
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1CC2COCC[N@H+]2C1	REAL300025047117	1	51	0.0	-76.44	415.31	0.30	-76.14
C[N@@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047278	0	46	0.0	-68.70	385.57	0.02	-68.68
C[N@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047278	1	46	0.0	-63.63	386.61	0.70	-62.93
C[N@@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025047302	1	47	0.0	-86.73	397.93	-0.50	-87.23
C[N@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025047302	1	47	0.0	-80.10	390.81	-0.69	-80.79
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCCCCC1	REAL300025047458	0	55	0.0	-63.30	429.27	2.05	-61.25
CC(C)[N@@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047460	0	55	0.0	-56.83	433.14	2.01	-54.82
CC(C)[N@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047460	1	55	0.0	-59.93	426.56	2.25	-57.68
CC(C)[N@@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047480	0	52	0.0	-67.09	419.50	1.13	-65.96
CC(C)[N@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047480	1	52	0.0	-67.74	419.14	1.17	-66.57
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300025047496	0	53	0.0	-70.88	428.01	2.35	-68.53
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300025047496	1	53	0.0	-71.70	427.89	1.80	-69.90
CC(C)C1=[NH+]C=CN1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047514	1	50	0.0	-67.70	426.00	1.77	-65.93
CC1=[NH+]C=CN1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047539	1	44	0.0	-62.30	388.27	1.20	-61.10
CC(C[NH+]1CCOCC1)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047540	0	53	0.0	-66.03	430.22	0.34	-65.69
O=C(CCC[NH+]1CCCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047555	0	55	0.0	-74.04	445.40	2.24	-71.80
CC(C)(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCCCC1	REAL300025047569	0	55	0.0	-72.81	429.45	2.00	-70.81
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2C[NH+]3CCC2CC3)CC1	REAL300025047577	0	50	0.0	-72.11	398.53	0.85	-71.26
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300025047612	0	53	0.0	-65.46	424.70	1.90	-63.56
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300025047612	1	53	0.0	-60.03	416.19	2.25	-57.78
C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025047622	0	49	0.0	-72.82	397.52	0.28	-72.54
C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025047622	1	49	0.0	-66.85	403.38	0.84	-66.01
CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025047626	0	52	0.0	-67.01	416.61	1.31	-65.70
CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025047626	1	52	0.0	-59.84	419.88	1.80	-58.04
CC[N@@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025047635	1	50	0.0	-77.65	412.35	0.16	-77.49
CC[N@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025047635	1	50	0.0	-79.18	408.40	-0.02	-79.20
CC[NH+](CC)CC(F)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047674	0	51	0.0	-77.24	415.67	0.68	-76.56
CC1CCC(C)[NH+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047733	0	52	0.0	-67.77	417.31	1.11	-66.66
O=C(CCC[NH+]1CCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047739	0	52	0.0	-73.61	428.57	1.47	-72.14
C#CC[NH+]1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025047743	0	51	0.0	-73.34	429.72	2.42	-70.92
O=C(CC[NH+]1CCCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047744	0	52	0.0	-73.80	423.90	1.45	-72.35
CC[N@@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047748	0	52	0.0	-64.60	418.72	1.29	-63.31
CC[N@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047748	1	52	0.0	-67.62	410.15	1.15	-66.47
CC(C)C[N@@H+]1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025047760	0	55	0.0	-66.61	445.52	2.56	-64.05
CC(C)C[N@H+]1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025047760	1	55	0.0	-72.41	445.46	1.99	-70.42
C[NH+](C)C1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300025047763	0	49	0.0	-78.56	394.77	1.04	-77.52
CC(C)[N@@H+]1CCCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047765	0	55	0.0	-71.37	438.97	1.72	-69.65
CC(C)[N@H+]1CCCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047765	1	55	0.0	-67.50	427.82	1.11	-66.39
CC(C)[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025047776	0	51	0.0	-72.16	409.73	1.10	-71.06
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025047813	0	49	0.0	-70.05	406.47	1.04	-69.01
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025047813	1	49	0.0	-69.71	406.59	1.04	-68.67
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1C(C)CCC1C	REAL300025047857	0	55	0.0	-57.41	431.30	2.02	-55.39
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047908	1	48	0.0	-63.42	406.29	1.39	-62.03
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047908	1	48	0.0	-68.75	412.95	1.31	-67.44
C[N@@H+]1CCCC1CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047913	0	52	0.0	-75.07	424.13	1.36	-73.71
C[N@H+]1CCCC1CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047913	1	52	0.0	-72.36	421.47	1.08	-71.28
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300025047920	0	53	0.0	-73.07	417.96	1.23	-71.84
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300025047923	0	53	0.0	-67.11	421.94	1.54	-65.57
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300025047923	1	53	0.0	-66.36	428.07	1.91	-64.45
O=C(CCCC[NH+]1CCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025047938	0	55	0.0	-74.62	451.70	2.37	-72.25
C[NH+]1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025047949	0	49	0.0	-79.08	404.93	0.71	-78.37
C[NH+](C)CC1=CC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=NO1	REAL300025047978	1	48	0.0	-80.52	419.68	0.06	-80.46
C[N@@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048002	0	49	0.0	-64.21	401.73	1.23	-62.98
C[N@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048002	1	49	0.0	-68.86	392.48	0.50	-68.36
CC(C)C[N@@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048021	0	55	0.0	-68.56	443.84	2.21	-66.35
CC(C)C[N@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048021	1	55	0.0	-68.73	442.37	2.25	-66.48
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300025048106	0	44	0.0	-73.36	389.03	2.56	-70.80
CC1=[NH+]C=CN1CCCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048112	1	50	0.0	-71.57	431.32	1.96	-69.61
O=C(CC[NH+]1CCOCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048116	1	50	0.0	-76.79	415.62	-0.95	-77.74
CC1=C[NH+]=CN1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048141	1	44	0.0	-70.73	389.06	1.35	-69.38
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CCC[NH+]2CCC3)CC1	REAL300025048173	0	50	0.0	-74.97	405.61	0.96	-74.01
C[NH+](C)C1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048193	0	55	0.0	-67.69	432.65	1.71	-65.98
C[N@@H+]1CCC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048195	0	49	0.0	-75.61	407.55	0.59	-75.02
C[N@H+]1CCC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048195	1	49	0.0	-74.21	404.00	0.61	-73.60
CN(C)C1=CC=[NH+]C=C1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048206	0	48	0.0	-80.13	409.81	-0.12	-80.25
CCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025048211	0	48	0.0	-67.41	389.21	0.11	-67.30
C[NH+](C)C1(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300025048221	0	55	0.0	-75.92	424.40	1.45	-74.47
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300025048255	1	44	0.0	-79.55	390.15	2.53	-77.02
C[NH+](C)CCCCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048300	0	51	0.0	-76.12	425.73	1.20	-74.92
CC(C)C(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025048318	0	51	0.0	-71.51	408.99	1.26	-70.25
CCC[N@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048320	0	51	0.0	-74.98	421.94	1.01	-73.97
CCC[N@@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048320	1	51	0.0	-75.13	421.95	1.01	-74.12
CCC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048325	0	48	0.0	-72.07	399.58	0.46	-71.61
CCC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048325	1	48	0.0	-71.87	399.58	0.46	-71.41
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300025048345	0	50	0.0	-67.74	400.83	0.80	-66.94
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300025048345	1	50	0.0	-73.79	402.22	0.28	-73.51
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048377	0	46	0.0	-72.82	379.95	-0.40	-73.22
C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048377	1	46	0.0	-68.74	386.06	0.00	-68.74
CCCCCC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048424	0	57	0.0	-73.27	464.08	2.80	-70.47
CCCCCC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048424	1	57	0.0	-73.14	464.07	2.80	-70.34
CC[NH+](CC)C(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C(C)C	REAL300025048427	0	57	0.0	-67.18	440.00	2.28	-64.90
CC[NH+](CC)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048435	0	48	0.0	-69.27	391.00	0.12	-69.15
CCC[N@@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048466	0	55	0.0	-66.62	437.83	2.27	-64.35
CCC[N@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048466	1	55	0.0	-64.38	438.05	2.25	-62.13
CC(C)[N@@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048480	0	53	0.0	-73.06	430.81	1.20	-71.86
CC(C)[N@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048480	1	53	0.0	-76.97	425.24	0.51	-76.46
CC1CC[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025048507	0	52	0.0	-70.98	422.10	1.52	-69.46
C[NH+]1CCC(OCC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025048530	0	53	0.0	-73.74	438.79	1.68	-72.06
C[NH+](C)CC1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025048540	0	49	0.0	-77.55	413.16	0.80	-76.75
CC(C)[NH+]1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025048603	0	55	0.0	-76.38	439.28	1.90	-74.48
C[NH+]1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025048619	0	49	0.0	-79.08	404.93	0.71	-78.37
CC(C)[C@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025048637	0	51	0.0	-72.31	410.23	1.11	-71.20
CCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](CC)CC	REAL300025048667	0	54	0.0	-64.79	425.74	1.45	-63.34
CC[N@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048717	0	48	0.0	-65.40	398.94	0.79	-64.61
CC[N@@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048717	1	48	0.0	-74.34	400.45	0.25	-74.09
CC1CCC[N@@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048766	0	49	0.0	-68.03	399.23	0.39	-67.64
CC1CCC[N@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048766	1	49	0.0	-69.13	404.89	0.80	-68.33
CC1CC[N@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048768	0	49	0.0	-70.93	406.13	0.76	-70.17
CC1CC[N@@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048768	1	49	0.0	-71.45	405.91	0.79	-70.66
CC1(C)CC[N@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048772	0	52	0.0	-71.04	425.39	1.31	-69.73
CC1(C)CC[N@@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048772	1	52	0.0	-62.54	424.45	1.93	-60.61
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300025048773	0	54	0.0	-72.50	429.53	1.61	-70.89
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300025048773	1	54	0.0	-61.83	429.36	2.21	-59.62
CC[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025048781	0	48	0.0	-66.98	389.36	0.07	-66.91
C[NH+]1CCC(O)(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025048923	0	53	0.0	-70.24	429.40	-0.11	-70.35
C[NH+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048934	0	42	0.0	-72.31	360.37	-0.95	-73.26
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300025048938	1	53	0.0	-71.85	432.94	-1.79	-73.64
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[NH+]2CCCCCC2)CC1	REAL300025048939	0	52	0.0	-63.40	409.92	1.64	-61.76
CN1C=C[N+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300025048943	0	44	0.0	-70.74	391.60	2.57	-68.17
C[N@@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048949	0	49	0.0	-74.03	404.91	0.66	-73.37
C[N@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025048949	1	49	0.0	-60.48	398.83	1.44	-59.04
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300025048954	0	50	0.0	-67.49	417.82	1.57	-65.92
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300025048954	1	50	0.0	-66.80	413.06	1.38	-65.42
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025048978	1	46	0.0	-65.20	390.50	0.51	-64.69
CCC(CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025048982	0	54	0.0	-74.32	430.92	1.50	-72.82
C[NH+](C)CC(C)(C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025048989	0	51	0.0	-66.22	406.73	0.74	-65.48
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300025049004	0	51	0.0	-73.05	418.04	1.68	-71.37
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300025049004	1	51	0.0	-72.19	415.39	2.30	-69.89
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[NH+]2CCC(O)CC2)CC1	REAL300025049012	1	50	0.0	-74.69	412.35	-2.43	-77.12
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025049013	0	46	0.0	-69.14	389.61	0.45	-68.69
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025049013	1	46	0.0	-68.72	389.63	0.45	-68.27
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)N1CC[NH+](C)CC1	REAL300025049014	1	54	0.0	-64.52	429.81	-0.61	-65.13
C[NH+]1CC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049032	0	46	0.0	-72.88	391.81	-0.12	-73.00
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CC[N@@H+]2C2CCCC2)CC1	REAL300025049036	0	53	0.0	-71.74	433.29	1.91	-69.83
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CC[N@H+]2C2CCCC2)CC1	REAL300025049036	1	53	0.0	-70.73	425.49	1.47	-69.26
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049044	0	52	0.0	-59.78	404.37	0.66	-59.12
CC(C)(C)[N@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049044	1	52	0.0	-68.57	406.57	-0.13	-68.70
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025049055	0	45	0.0	-61.45	378.46	-0.02	-61.47
[N-]=[N+]=NCC(=O)NCC1(NC(=O)CSC2=NC(=O)NN2)CC1	REAL300025049062	0	36	0.0	-24.67	335.81	-4.82	-29.49
CCC1CCC[N@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049087	0	55	0.0	-70.94	433.36	1.74	-69.20
CCC1CCC[N@@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049087	1	55	0.0	-72.07	441.32	2.16	-69.91
C[NH+](C)CC1=CC=C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)N1	REAL300025049094	0	50	0.0	-84.62	428.12	0.40	-84.22
[NH2+]=C1SC=CN1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049136	0	42	0.0	-61.55	385.91	-0.24	-61.79
C[N@H+](CCO)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049146	0	49	0.0	-74.68	410.80	-2.96	-77.64
C[N@@H+](CCO)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049146	1	49	0.0	-73.01	409.84	-2.98	-75.99
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025049147	0	45	0.0	-61.45	378.46	-0.02	-61.47
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049151	0	49	0.0	-64.81	390.32	0.43	-64.38
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049151	1	49	0.0	-70.44	402.17	0.63	-69.81
CC1CN2CC[N@@H+]1CC2C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049159	0	52	0.0	-73.96	413.04	-1.98	-75.94
CC1CN2CC[N@H+]1CC2C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049159	1	52	0.0	-79.85	412.78	-1.97	-81.82
C[N@@H+]1CCC(=CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049246	0	47	0.0	-76.29	399.19	0.59	-75.70
C[N@H+]1CCC(=CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049246	1	47	0.0	-74.28	396.01	0.59	-73.69
C[NH+](C)CCOCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049277	0	49	0.0	-73.75	415.21	0.11	-73.64
CCCCC[N@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049282	0	57	0.0	-75.95	464.94	2.57	-73.38
CCCCC[N@@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049282	1	57	0.0	-76.05	464.95	2.56	-73.49
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025049291	0	53	0.0	-74.39	438.38	1.02	-73.37
C=CCC(C)(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025049298	0	52	0.0	-66.62	414.86	1.18	-65.44
C[S+](C)CCC(O)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049302	0	48	0.0	-82.85	423.60	-1.33	-84.18
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049327	0	50	0.0	-78.66	406.63	-2.90	-81.56
CN1CC[N@H+](C)CC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049337	0	54	0.0	-68.80	431.73	-1.02	-69.82
CN1CC[N@@H+](C)CC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049337	1	54	0.0	-68.80	431.73	-1.02	-69.82
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)N1CCCC(O)C1	REAL300025049338	0	53	0.0	-67.35	431.48	-2.08	-69.43
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[N@@H+]1CCCC(O)C1	REAL300025049338	1	53	0.0	-70.97	429.81	-2.03	-73.00
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[N@H+]1CCCC(O)C1	REAL300025049338	1	53	0.0	-70.97	429.81	-2.03	-73.00
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)CN2CCC(CO)CC2)CC1	REAL300025049346	0	53	0.0	-71.85	432.94	-1.79	-73.64
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300025049346	1	53	0.0	-71.85	432.94	-1.79	-73.64
C[N@@H+]1CCCC(O)(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049355	0	53	0.0	-73.28	417.52	-0.67	-73.95
C[N@H+]1CCCC(O)(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049355	1	53	0.0	-73.28	417.52	-0.67	-73.95
CC1CN(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049358	0	46	0.0	-62.96	388.92	0.74	-62.22
CC1C[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049358	1	46	0.0	-62.96	388.92	0.74	-62.22
CN(CCO)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049381	0	46	0.0	-72.23	388.43	-3.52	-75.75
C[N@H+](CCO)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049381	1	46	0.0	-71.76	386.95	-3.53	-75.29
C[N@@H+](CCO)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049381	1	46	0.0	-71.76	386.95	-3.53	-75.29
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2C[N@@H+]3CCN2CCC3)CC1	REAL300025049402	0	52	0.0	-79.78	407.31	-0.60	-80.38
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2C[N@H+]3CCN2CCC3)CC1	REAL300025049402	1	52	0.0	-79.78	407.31	-0.60	-80.38
CC[N@@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049407	0	52	0.0	-64.63	416.34	1.52	-63.11
CC[N@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049407	1	52	0.0	-64.63	416.34	1.52	-63.11
CC(CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025049409	0	51	0.0	-74.47	416.79	1.04	-73.43
CC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049416	0	45	0.0	-62.66	376.57	0.25	-62.41
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CCC[N@@H+]2CCCC3)CC1	REAL300025049435	0	53	0.0	-66.01	413.42	1.63	-64.38
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CCC[N@H+]2CCCC3)CC1	REAL300025049435	1	53	0.0	-66.01	413.42	1.63	-64.38
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CCC[N@@H+]2CC=CC3)CC1	REAL300025049440	0	51	0.0	-71.70	405.00	2.06	-69.64
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CCC[N@H+]2CC=CC3)CC1	REAL300025049440	1	51	0.0	-71.70	405.00	2.06	-69.64
CC[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025049459	0	49	0.0	-68.54	405.89	1.00	-67.54
CC[NH+](CC)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049472	0	51	0.0	-73.46	413.36	0.66	-72.80
CC1(O)CC[N@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049516	0	50	0.0	-64.92	416.11	-1.89	-66.81
C[NH+](C)CC=CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049523	0	46	0.0	-76.81	396.33	0.26	-76.55
CC(OCC[NH+](C)C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049541	0	52	0.0	-72.46	435.21	0.80	-71.66
C[NH+](C)CCOCCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049548	0	52	0.0	-73.04	436.17	-0.16	-73.20
COCCN(C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049549	0	49	0.0	-71.76	409.20	-1.12	-72.88
COCC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049549	1	49	0.0	-72.33	410.69	-1.12	-73.45
COCC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049549	1	49	0.0	-72.33	410.69	-1.12	-73.45
C[NH+](C)C1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300025049576	0	52	0.0	-71.26	412.79	1.66	-69.60
CC(CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025049579	0	51	0.0	-76.17	412.92	0.78	-75.39
CCN1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049585	0	46	0.0	-69.66	384.44	-0.08	-69.74
CC[N@@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049585	1	46	0.0	-65.95	392.13	0.63	-65.32
CC[N@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049585	1	46	0.0	-65.95	392.13	0.63	-65.32
CC(C)[N@@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049593	0	55	0.0	-60.48	432.49	2.58	-57.90
CC(C)[N@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025049593	1	55	0.0	-60.48	432.49	2.58	-57.90
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[N@H+]2CCCC2CO)CC1	REAL300025049604	0	50	0.0	-70.98	413.55	-2.33	-73.31
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300025049626	0	53	0.0	-71.70	427.89	1.80	-69.90
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300025049626	1	53	0.0	-71.70	427.89	1.80	-69.90
C[NH+]1CCC(C)(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025049632	0	52	0.0	-66.86	418.04	1.10	-65.76
C[NH+](C)CC1=CNC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300025049638	0	50	0.0	-77.89	426.94	0.34	-77.55
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)N1CCC(O)CC1	REAL300025049652	0	53	0.0	-71.02	429.85	-2.03	-73.05
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC(O)CC1	REAL300025049652	1	53	0.0	-71.02	429.85	-2.03	-73.05
C=CCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025049658	0	49	0.0	-72.10	406.76	0.68	-71.42
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049668	0	52	0.0	-67.94	419.72	0.76	-67.18
C[NH+](C)CCCCCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049671	0	54	0.0	-75.52	447.23	1.97	-73.55
CC1C[N@@H+]2CCN1C(C(=O)NCC1(NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025049704	0	52	0.0	-76.64	413.22	-1.91	-78.55
CC1C[N@H+]2CCN1C(C(=O)NCC1(NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025049704	1	52	0.0	-76.64	413.22	-1.91	-78.55
CCCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025049705	0	51	0.0	-72.04	411.46	0.85	-71.19
C[NH+](C)C(C)(C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049709	0	48	0.0	-72.43	387.58	0.20	-72.23
C[N@@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049743	0	49	0.0	-68.86	392.48	0.50	-68.36
C[N@H+]1CC=C(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025049775	0	50	0.0	-69.97	419.52	1.38	-68.59
C[N@@H+]1CC=C(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025049775	1	50	0.0	-69.97	419.52	1.38	-68.59
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)CC2([NH+]3CCCC3)CC2)CC1	REAL300025049783	0	53	0.0	-70.35	424.01	1.73	-68.62
CN(C)CC1=CC=C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025049822	0	49	0.0	-81.54	423.63	0.87	-80.67
C[NH+](C)CC1=CC=C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025049822	1	49	0.0	-81.54	423.63	0.87	-80.67
O=C(C=CC[NH+]1CCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049836	0	50	0.0	-75.99	422.65	1.47	-74.52
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300025049855	0	53	0.0	-68.31	428.26	2.46	-65.85
O=C(CC[NH+]1CCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049875	0	49	0.0	-74.53	407.94	0.73	-73.80
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2C[NH+]3CCN2CC3)CC1	REAL300025049908	0	49	0.0	-83.34	396.30	-2.46	-85.80
C[N@@H+]1CC2CC1(C(=O)NCC1(NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025049917	0	47	0.0	-72.02	383.57	0.22	-71.80
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300025049928	0	50	0.0	-62.33	403.94	1.60	-60.73
O=C(C=C1C[NH+]2CCC1CC2)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025049965	0	51	0.0	-65.87	416.63	1.98	-63.89
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)CN2CC3C=CC2C3)CC1	REAL300025049975	0	48	0.0	-69.03	399.21	0.90	-68.13
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300025049975	1	48	0.0	-61.01	398.19	1.55	-59.46
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300025049975	1	48	0.0	-61.01	398.19	1.55	-59.46
CC(C[NH+](C)C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050017	0	48	0.0	-74.56	398.78	0.31	-74.25
C[N@@H+]1CCCCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050080	0	52	0.0	-75.61	418.92	1.27	-74.34
C[N@H+]1CCCCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050080	1	52	0.0	-75.61	418.92	1.27	-74.34
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)N1CC(C)C1	REAL300025050094	0	49	0.0	-69.46	409.76	0.71	-68.75
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300025050094	1	49	0.0	-69.46	409.76	0.71	-68.75
CC1CCN1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050097	0	46	0.0	-66.37	385.64	0.40	-65.97
CC1CC[N@@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050097	1	46	0.0	-66.50	391.18	0.66	-65.84
CC1CC[N@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050097	1	46	0.0	-66.50	391.18	0.66	-65.84
C[NH+](C)CC(O)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050100	0	49	0.0	-78.22	412.60	-1.92	-80.14
CC1CN(C)CC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025050124	0	50	0.0	-81.78	412.22	0.21	-81.57
CC1C[N@H+](C)CC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025050124	1	50	0.0	-87.39	418.94	0.23	-87.16
CC1C[N@@H+](C)CC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025050124	1	50	0.0	-87.39	418.94	0.23	-87.16
O=C(CC[NH+]1CCC(O)CC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050132	0	53	0.0	-77.55	434.99	-1.90	-79.45
CCC[N@@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050134	0	55	0.0	-65.42	441.89	2.53	-62.89
CCC[N@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050134	1	55	0.0	-65.42	441.89	2.53	-62.89
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025050194	0	49	0.0	-75.66	409.89	0.78	-74.88
CC(CC[NH+](C)C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050201	0	51	0.0	-74.84	420.42	0.94	-73.90
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300025050219	0	53	0.0	-67.31	431.08	-1.57	-68.88
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300025050219	1	53	0.0	-70.59	431.35	-1.74	-72.33
C[NH+]1CCN(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025050227	1	51	0.0	-71.93	419.58	-1.48	-73.41
CC[NH+]1CCN(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025050235	0	54	0.0	-72.44	437.32	-0.81	-73.25
C[N@@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050405	0	46	0.0	-66.91	383.26	-0.02	-66.93
C[N@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050405	1	46	0.0	-71.21	379.22	0.09	-71.12
CC1=[NH+]C=CN1CCCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050586	1	50	0.0	-68.13	431.32	1.96	-66.17
O=C(CC[NH+]1CCOCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050590	1	50	0.0	-73.53	415.59	-0.44	-73.97
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300025050610	1	44	0.0	-76.58	390.84	2.57	-74.01
C[NH+](C)C1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025050650	0	55	0.0	-67.41	439.11	2.44	-64.97
C[N@@H+]1CCC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025050652	0	49	0.0	-71.09	404.35	0.59	-70.50
C[N@H+]1CCC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025050652	1	49	0.0	-69.53	406.94	1.21	-68.32
CCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025050666	0	48	0.0	-66.36	390.03	0.64	-65.72
C[NH+](C)CCCCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050714	0	51	0.0	-74.03	425.24	1.20	-72.83
CCC[N@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050732	0	51	0.0	-70.58	420.44	1.54	-69.04
CCC[N@@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050732	1	51	0.0	-70.53	420.44	1.53	-69.00
CCC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050736	0	48	0.0	-68.58	398.07	1.00	-67.58
CCC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050736	1	48	0.0	-70.74	399.58	0.47	-70.27
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300025050752	0	50	0.0	-70.81	398.85	0.24	-70.57
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300025050752	1	50	0.0	-72.64	400.69	0.80	-71.84
CCCCCC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050770	0	57	0.0	-72.55	463.61	2.82	-69.73
CCCCCC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050770	1	57	0.0	-71.43	462.39	3.32	-68.11
CC1CC[NH+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025050799	0	52	0.0	-69.58	421.41	2.07	-67.51
C[NH+]1CCC(OCC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025050817	0	53	0.0	-78.67	439.84	1.11	-77.56
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300025050850	0	53	0.0	-68.19	427.42	2.29	-65.90
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300025050850	1	53	0.0	-71.47	427.78	1.77	-69.70
C[NH+](C)CC1(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025050858	0	49	0.0	-63.81	412.63	0.83	-62.98
CC(C)[NH+]1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025050867	0	55	0.0	-74.21	439.06	1.91	-72.30
CC[N@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050881	0	48	0.0	-72.18	400.44	0.27	-71.91
CC[N@@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025050881	1	48	0.0	-69.73	398.94	0.79	-68.94
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2C[NH+]3CCC2CC3)CC1	REAL300025050905	0	50	0.0	-79.19	398.63	0.80	-78.39
C[NH+]1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025050959	0	49	0.0	-74.99	404.24	0.73	-74.26
CC[NH+](CC)CC(F)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051038	0	51	0.0	-69.56	418.16	0.69	-68.87
CC(C)C[N@@H+]1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025051058	0	55	0.0	-70.65	444.82	2.05	-68.60
CC(C)C[N@H+]1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025051058	1	55	0.0	-67.68	445.25	2.55	-65.13
CCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](CC)CC	REAL300025051081	0	54	0.0	-63.05	425.71	1.34	-61.71
CC1CCC[N@@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051095	0	49	0.0	-65.90	399.18	0.97	-64.93
CC1CCC[N@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051095	1	49	0.0	-66.39	398.26	1.08	-65.31
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCCCCC1	REAL300025051137	0	55	0.0	-65.40	428.39	2.06	-63.34
CC(C)[N@@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051155	0	52	0.0	-63.59	420.99	1.80	-61.79
CC(C)[N@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051155	1	52	0.0	-64.88	400.36	1.67	-63.21
CC(C)[N@@H+]1CCCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051160	0	55	0.0	-68.04	432.24	1.96	-66.08
CC(C)[N@H+]1CCCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051160	1	55	0.0	-67.37	439.34	2.27	-65.10
CC1CC[N@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025051184	0	49	0.0	-70.19	405.23	0.73	-69.46
CC1CC[N@@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025051184	1	49	0.0	-69.61	404.91	1.39	-68.22
CC1(C)CC[N@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025051187	0	52	0.0	-68.47	425.52	1.87	-66.60
CC1(C)CC[N@@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025051187	1	52	0.0	-69.62	424.79	1.84	-67.78
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300025051188	0	54	0.0	-71.45	427.41	1.49	-69.96
C[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300025051188	1	54	0.0	-70.06	430.89	1.66	-68.40
CC[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025051195	0	48	0.0	-67.58	390.92	0.05	-67.53
CC1=[NH+]C=CN1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051353	1	44	0.0	-66.56	389.78	0.66	-65.90
CC(C[NH+]1CCOCC1)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051354	1	53	0.0	-66.28	430.02	0.45	-65.83
O=C(CCC[NH+]1CCCCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051367	0	55	0.0	-72.22	445.40	2.30	-69.92
C[NH+](C)CC1=CC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=NO1	REAL300025051375	1	48	0.0	-77.41	419.50	0.08	-77.33
CC(C)C1=[NH+]C=CN1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051402	1	50	0.0	-63.22	422.40	2.36	-60.86
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300025051427	0	53	0.0	-61.81	424.56	2.44	-59.37
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300025051427	1	53	0.0	-65.46	413.52	1.54	-63.92
CC[N@@H+]1CCOC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025051439	1	50	0.0	-77.06	408.09	-0.03	-77.09
CC[N@H+]1CCOC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025051439	1	50	0.0	-81.80	415.20	0.13	-81.67
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300025051470	0	44	0.0	-71.98	390.57	2.58	-69.40
CC1=C[NH+]=CN1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051475	1	44	0.0	-68.63	388.74	1.93	-66.70
C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025051482	0	49	0.0	-71.57	396.47	-0.01	-71.58
C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025051482	1	49	0.0	-66.68	397.45	1.35	-65.33
CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025051485	0	52	0.0	-71.46	416.67	1.31	-70.15
CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025051485	1	52	0.0	-70.89	423.13	1.68	-69.21
CC1CCC(C)[NH+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051493	0	52	0.0	-65.12	417.08	1.55	-63.57
O=C(CCC[NH+]1CCCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051499	0	52	0.0	-71.27	430.18	1.58	-69.69
C#CC[NH+]1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025051503	0	51	0.0	-76.96	429.92	1.92	-75.04
O=C(CC[NH+]1CCCCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051504	0	52	0.0	-69.59	422.85	2.00	-67.59
C[NH+](C)C1(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300025051533	0	55	0.0	-72.47	419.78	1.91	-70.56
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025051630	0	49	0.0	-69.37	405.97	1.04	-68.33
C[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025051630	1	49	0.0	-69.07	406.59	1.05	-68.02
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1C(C)CCC1C	REAL300025051645	0	55	0.0	-63.66	418.59	2.15	-61.51
O=C(CCCC[NH+]1CCCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051657	0	55	0.0	-72.01	451.68	2.36	-69.65
C[NH+]1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025051668	0	49	0.0	-74.99	404.24	0.73	-74.26
C[N@@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051695	0	46	0.0	-67.03	379.05	0.18	-66.85
C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051695	1	46	0.0	-66.20	386.18	0.65	-65.55
C[N@@H+]1CCCC1CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051717	0	52	0.0	-74.89	427.80	1.54	-73.35
C[N@H+]1CCCC1CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051717	1	52	0.0	-70.33	422.15	1.07	-69.26
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300025051724	0	53	0.0	-64.13	427.69	2.56	-61.57
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300025051724	1	53	0.0	-64.72	420.74	2.05	-62.67
CCC[N@@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025051774	0	55	0.0	-60.49	435.09	3.13	-57.36
CCC[N@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025051774	1	55	0.0	-64.38	436.96	2.83	-61.55
CC(C)[N@@H+]1CCOC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025051784	1	53	0.0	-75.60	431.21	1.15	-74.45
CC(C)[N@H+]1CCOC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025051784	1	53	0.0	-79.06	432.23	0.63	-78.43
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300025051828	0	53	0.0	-71.83	433.08	-1.26	-73.09
CC1C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025051866	0	49	0.0	-69.63	405.48	1.27	-68.36
CC1C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025051866	1	49	0.0	-69.38	405.79	1.19	-68.19
C[N@@H+]1CCCCC1CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051868	0	55	0.0	-69.83	441.52	1.96	-67.87
C[N@H+]1CCCCC1CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051868	1	55	0.0	-68.68	441.43	1.91	-66.77
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051929	0	52	0.0	-66.35	392.00	1.39	-64.96
CC(C)(C)[N@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051929	1	52	0.0	-68.02	400.83	1.24	-66.78
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025051946	0	45	0.0	-69.63	377.26	-0.57	-70.20
C=CCC(C)(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025051960	0	52	0.0	-63.82	414.93	1.13	-62.69
O=C(CC[NH+]1CCCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051980	0	49	0.0	-69.49	405.58	1.19	-68.30
C[N@H+](CCO)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051989	1	46	0.0	-70.41	386.20	-2.97	-73.38
C[N@@H+](CCO)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025051989	1	46	0.0	-69.33	387.73	-3.51	-72.84
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2C[N@@H+]3CCN2CCC3)CC1	REAL300025052019	0	52	0.0	-81.50	407.68	-0.54	-82.04
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2C[N@H+]3CCN2CCC3)CC1	REAL300025052019	1	52	0.0	-79.25	408.47	-1.64	-80.89
C[N@H+]1CC=C(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025052059	0	50	0.0	-66.69	419.47	1.88	-64.81
C[N@@H+]1CC=C(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025052059	1	50	0.0	-68.01	419.49	1.37	-66.64
C[S+](C)CCC(O)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052070	0	48	0.0	-73.18	425.50	-1.32	-74.50
CN1CC[N@H+](C)CC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052095	0	54	0.0	-68.11	430.85	-0.86	-68.97
CN1CC[N@@H+](C)CC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052095	1	54	0.0	-66.16	430.63	-0.22	-66.38
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[N@@H+]1CCCC(O)C1	REAL300025052096	0	53	0.0	-68.47	426.54	-1.87	-70.34
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[N@H+]1CCCC(O)C1	REAL300025052096	1	53	0.0	-69.39	430.91	-1.47	-70.86
C[N@@H+]1CCCC(O)(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052123	0	53	0.0	-66.56	425.97	0.05	-66.51
C[N@H+]1CCCC(O)(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052123	1	53	0.0	-68.51	417.97	-0.06	-68.57
CC1C[NH+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052127	1	46	0.0	-69.80	390.57	0.77	-69.03
CC[N@@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052131	0	52	0.0	-67.18	422.51	1.87	-65.31
CC[N@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052131	1	52	0.0	-64.82	416.13	1.52	-63.30
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300025052145	0	50	0.0	-72.60	401.45	2.18	-70.42
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300025052145	1	50	0.0	-64.06	413.07	1.98	-62.08
O=C(C=CC[NH+]1CCCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052176	0	50	0.0	-74.22	422.69	1.47	-72.75
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300025052192	0	53	0.0	-71.56	430.08	1.93	-69.63
CC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052220	0	45	0.0	-69.66	376.40	0.24	-69.42
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)CN2CC3C=CC2C3)CC1	REAL300025052258	0	48	0.0	-64.70	399.58	1.49	-63.21
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300025052258	1	48	0.0	-67.67	397.94	1.54	-66.13
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300025052258	1	48	0.0	-67.67	397.94	1.54	-66.13
CC(OCC[NH+](C)C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052363	0	52	0.0	-71.19	435.45	0.82	-70.37
C[NH+](C)CCOCCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052371	0	52	0.0	-71.95	436.43	-0.16	-72.11
COCCN(C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052373	0	49	0.0	-68.85	409.98	-1.11	-69.96
COCC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052373	1	49	0.0	-71.74	409.00	-0.61	-72.35
COCC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052373	1	49	0.0	-71.74	409.00	-0.61	-72.35
CC(CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025052378	0	51	0.0	-72.67	413.80	0.78	-71.89
CC[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025052398	0	49	0.0	-67.72	399.97	1.58	-66.14
CC1C[N@@H+]2CCN1C(C(=O)NC1(CNC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025052408	0	52	0.0	-70.48	413.70	-1.38	-71.86
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300025052438	0	50	0.0	-67.39	407.43	1.71	-65.68
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300025052438	1	50	0.0	-67.39	407.43	1.71	-65.68
CC(C[NH+](C)C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052454	0	48	0.0	-72.86	398.08	0.34	-72.52
CCN1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052490	0	46	0.0	-67.81	383.99	0.11	-67.70
CC[N@@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052490	1	46	0.0	-68.42	384.75	-0.30	-68.72
CC[N@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052490	1	46	0.0	-68.42	384.75	-0.30	-68.72
CC(C)[N@@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052498	0	55	0.0	-66.23	438.05	2.37	-63.86
CC(C)[N@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052498	1	55	0.0	-66.23	438.05	2.37	-63.86
CCC(C)(C)[NH2+]C(C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052507	0	54	0.0	-66.30	423.63	-0.27	-66.57
C#CCN1CCCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052543	0	51	0.0	-68.18	415.17	2.25	-65.93
C#CC[N@H+]1CCCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052543	1	51	0.0	-68.39	427.26	2.41	-65.98
C#CC[N@@H+]1CCCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052543	1	51	0.0	-68.39	427.26	2.41	-65.98
CCCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025052554	0	51	0.0	-67.35	414.61	0.98	-66.37
CC(CC[NH+](C)C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052575	0	51	0.0	-72.83	419.72	0.95	-71.88
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052650	0	52	0.0	-71.06	420.18	1.21	-69.85
C[N@H+]1CC(C)(C)CC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052650	1	52	0.0	-71.06	420.18	1.21	-69.85
C[NH+](C)CCCCCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052653	0	54	0.0	-73.53	446.74	1.99	-71.54
O=C(CC[NH+]1CCC(O)CC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052657	0	53	0.0	-75.73	434.53	-1.88	-77.61
CCC[N@@H+]1CCCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052660	0	55	0.0	-67.43	432.58	2.45	-64.98
CCC[N@H+]1CCCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052660	1	55	0.0	-67.43	432.58	2.45	-64.98
CN1CCN(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025052668	0	51	0.0	-71.74	419.37	-1.45	-73.19
C[NH+]1CCN(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025052668	1	51	0.0	-71.74	419.37	-1.45	-73.19
CC1CN(C)CC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025052743	0	50	0.0	-84.43	418.58	0.21	-84.22
CC1C[N@H+](C)CC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025052743	1	50	0.0	-78.72	411.74	0.04	-78.68
CC1C[N@@H+](C)CC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025052743	1	50	0.0	-78.72	411.74	0.04	-78.68
CCC1CCC[N@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052770	0	55	0.0	-70.73	441.33	2.16	-68.57
CCC1CCC[N@@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052770	1	55	0.0	-70.73	441.33	2.16	-68.57
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)CC2([NH+]3CCCC3)CC2)CC1	REAL300025052801	0	53	0.0	-68.42	427.10	2.27	-66.15
C[N@@H+]1CCCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052828	0	49	0.0	-67.43	402.27	1.27	-66.16
C[N@@H+]1CCC(=CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052908	0	47	0.0	-74.02	398.29	0.64	-73.38
C[N@H+]1CCC(=CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025052908	1	47	0.0	-74.02	398.29	0.64	-73.38
O=C(CNC1=CC=[NH+]C=C1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052913	0	45	0.0	-71.02	396.07	-1.69	-72.71
O=C(C=C1C[NH+]2CCC1CC2)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025052957	0	51	0.0	-66.77	416.33	1.46	-65.31
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300025052990	0	53	0.0	-68.13	429.16	-1.18	-69.31
C[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053003	0	46	0.0	-71.10	379.30	0.10	-71.00
CCN1CCOCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053022	0	53	0.0	-74.31	427.09	-0.47	-74.78
CC[N@@H+]1CCOCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053022	1	53	0.0	-73.07	422.92	-0.67	-73.74
CC[N@H+]1CCOCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053022	1	53	0.0	-74.31	427.09	-0.47	-74.78
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025053110	0	49	0.0	-65.54	410.20	1.32	-64.22
C[NH+](C)C1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025053120	0	55	0.0	-75.71	438.50	1.90	-73.81
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025053121	0	55	0.0	-70.91	431.94	2.37	-68.54
C[N@@H+]1CC=CCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053122	0	50	0.0	-72.90	410.97	1.77	-71.13
C[N@H+]1CC=CCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053122	1	50	0.0	-64.93	405.75	1.68	-63.25
C[NH+](C)CCOCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053171	0	49	0.0	-69.82	416.23	0.09	-69.73
CCCCC[N@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053176	0	57	0.0	-73.87	464.94	2.56	-71.31
CCCCC[N@@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053176	1	57	0.0	-71.36	463.43	3.09	-68.27
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025053186	0	53	0.0	-68.04	437.69	1.48	-66.56
[NH2+]=C1SC=CN1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053202	0	42	0.0	-63.14	387.41	-0.26	-63.40
C[C@@H](OCC[NH+](C)C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053256	0	52	0.0	-67.83	435.49	1.38	-66.45
O=C(CC[NH+]1CCCCCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053280	0	55	0.0	-74.07	434.37	1.67	-72.40
C[N@@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025053285	0	49	0.0	-71.81	405.21	0.67	-71.14
C[N@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025053285	1	49	0.0	-71.81	405.21	0.67	-71.14
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[NH+]2CCCCCC2)CC1	REAL300025053287	0	52	0.0	-69.39	411.32	1.10	-68.29
CN1C=C[N+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300025053292	0	44	0.0	-67.45	391.58	2.56	-64.89
CN(C)CC1=CC=C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025053304	0	49	0.0	-77.47	423.89	0.76	-76.71
C[NH+](C)CC1=CC=C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025053304	1	49	0.0	-77.47	423.89	0.76	-76.71
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)CN2CCC(O)CC2)CC1	REAL300025053316	0	50	0.0	-74.43	412.45	-1.83	-76.26
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[NH+]2CCC(O)CC2)CC1	REAL300025053316	1	50	0.0	-74.43	412.45	-1.83	-76.26
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025053320	0	46	0.0	-68.51	389.75	0.46	-68.05
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)N1CCN(C)CC1	REAL300025053322	0	54	0.0	-69.76	428.26	-1.18	-70.94
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)N1CC[NH+](C)CC1	REAL300025053322	1	54	0.0	-69.76	428.26	-1.18	-70.94
O=C(CC[N@H+]1CCC(F)C1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053324	0	49	0.0	-76.29	411.77	0.84	-75.45
CC(CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025053346	0	51	0.0	-69.39	417.95	1.68	-67.71
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CC[N@@H+]3CCOCC23)CC1	REAL300025053358	0	51	0.0	-75.50	419.39	-0.61	-76.11
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CC[N@H+]3CCOCC23)CC1	REAL300025053358	1	51	0.0	-75.50	419.39	-0.61	-76.11
CN1CCOCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053375	0	50	0.0	-76.74	410.20	-0.54	-77.28
C[N@@H+]1CCOCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053375	1	50	0.0	-63.50	403.68	-1.30	-64.80
C[N@H+]1CCOCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053375	1	50	0.0	-63.50	403.68	-1.30	-64.80
CC1(O)CC[N@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025053452	0	50	0.0	-70.82	417.11	-2.55	-73.37
C[NH+]1CC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025053482	0	46	0.0	-70.25	391.77	0.38	-69.87
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CC[N@@H+]2C2CCCC2)CC1	REAL300025053486	0	53	0.0	-69.19	431.31	2.50	-66.69
C[N@H+](CCO)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053518	0	49	0.0	-69.60	409.08	-2.41	-72.01
C[N@@H+](CCO)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053518	1	49	0.0	-69.60	409.08	-2.41	-72.01
C[N@@H+]1CCCCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053532	0	52	0.0	-59.01	412.08	1.62	-57.39
C[N@H+]1CCCCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053532	1	52	0.0	-59.01	412.08	1.62	-57.39
CC1CCN1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053550	0	46	0.0	-66.20	384.57	0.40	-65.80
CC1CC[N@@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053550	1	46	0.0	-69.56	391.14	0.17	-69.39
CC1CC[N@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053550	1	46	0.0	-69.56	391.14	0.17	-69.39
C[NH+](C)CC=CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053558	0	46	0.0	-75.52	396.35	0.27	-75.25
CC1(C)CN(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025053568	0	49	0.0	-70.88	410.96	0.68	-70.20
CC1(C)C[NH+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025053568	1	49	0.0	-70.88	410.96	0.68	-70.20
CC1=C(C)NC(CCC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300025053582	0	50	0.0	-66.29	430.59	0.33	-65.96
CC1=C(C)[NH+]=C(CCC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)N1	REAL300025053582	1	50	0.0	-66.29	430.59	0.33	-65.96
C[NH+](C)CCSCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053598	0	49	0.0	-76.75	427.25	0.97	-75.78
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[N@H+]2CCCC2CO)CC1	REAL300025053619	0	50	0.0	-69.86	413.40	-2.41	-72.27
CC[NH+](CC)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053623	0	48	0.0	-68.31	391.57	0.14	-68.17
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)CN2CCC2)CC1	REAL300025053634	0	43	0.0	-70.95	370.65	-0.46	-71.41
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[NH+]2CCC2)CC1	REAL300025053634	1	43	0.0	-70.95	370.65	-0.46	-71.41
CC[NH+](CC)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053665	0	51	0.0	-70.56	413.75	0.69	-69.87
C[NH+](C)CC1=CNC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300025053711	0	50	0.0	-76.56	426.78	0.37	-76.19
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CC3COCC[N@@H+]3C2)CC1	REAL300025053727	0	51	0.0	-68.42	418.25	-0.05	-68.47
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CC3COCC[N@H+]3C2)CC1	REAL300025053727	1	51	0.0	-68.42	418.25	-0.05	-68.47
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)N1CCC1	REAL300025053736	0	46	0.0	-68.68	388.79	0.13	-68.55
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025053736	1	46	0.0	-68.68	388.79	0.13	-68.55
CCC(CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025053741	0	54	0.0	-71.51	429.77	1.53	-69.98
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053787	0	49	0.0	-68.75	402.88	0.62	-68.13
CC1CN2CC[N@@H+]1CC2C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053799	0	52	0.0	-70.82	412.99	-1.94	-72.76
C[NH+](C)CC(O)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053818	0	49	0.0	-75.67	412.07	-1.97	-77.64
C[NH+]1C2CCC1CC(C(=O)NC1(CNC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025053820	0	53	0.0	-70.90	394.75	1.85	-69.05
C=CCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025053850	0	49	0.0	-67.16	406.80	0.68	-66.48
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CC1	REAL300025053856	0	53	0.0	-71.47	427.78	1.77	-69.70
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2CC3CCCC[N@H+]3C2)CC1	REAL300025053856	1	53	0.0	-71.47	427.78	1.77	-69.70
C[NH+]1CCC(O)(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025053865	0	53	0.0	-69.99	430.64	-0.65	-70.64
NC(=[NH2+])SCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053886	0	40	0.0	-74.90	368.29	-3.99	-78.89
CC[N@H+]1CCOCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053913	1	53	0.0	-75.69	423.61	-0.60	-76.29
C[NH+](C)C1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025053926	0	55	0.0	-78.01	439.17	1.88	-76.13
C[NH+](C)CCC1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025053927	0	52	0.0	-76.79	433.89	1.43	-75.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025053928	0	55	0.0	-59.15	429.85	1.71	-57.44
C[N@@H+]1CC=CCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053929	0	50	0.0	-76.73	410.92	1.09	-75.64
C[N@H+]1CC=CCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053929	1	50	0.0	-64.31	403.73	1.02	-63.29
C[C@@H](OCC[NH+](C)C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025053950	0	52	0.0	-72.65	436.22	0.77	-71.88
C[NH+]1C2CCC1CC(C(=O)NCC1(NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025053974	0	53	0.0	-66.10	401.73	2.14	-63.96
CCC1C[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025054066	1	49	0.0	-72.74	413.13	0.91	-71.83
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2([NH+]3CCCC3)CCC2)CC1	REAL300025054068	0	53	0.0	-71.82	416.25	2.47	-69.35
C[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025054075	0	46	0.0	-68.00	386.62	0.05	-67.95
C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025054075	1	46	0.0	-68.03	379.00	-0.39	-68.42
O=C(CC[N@H+]1CCC(F)C1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025054082	0	49	0.0	-73.78	414.69	1.41	-72.37
O=C(CC[N@@H+]1CCC(F)C1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025054082	1	49	0.0	-69.34	412.88	1.34	-68.00
COC1C[N@H+](C)C(C)(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025054090	0	53	0.0	-78.15	425.15	-0.04	-78.19
COC1C[N@@H+](C)C(C)(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025054090	1	53	0.0	-71.61	427.09	-0.52	-72.13
O=C(CC[NH+]1CCCCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025054097	0	55	0.0	-74.27	433.20	1.72	-72.55
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[NH+]2CCCCC2)CC1	REAL300025054099	0	49	0.0	-71.48	402.07	0.91	-70.57
CC1C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025054108	0	49	0.0	-72.85	406.60	0.58	-72.27
CC1C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025054108	1	49	0.0	-64.01	406.05	1.20	-62.81
C[N@@H+]1CCCCC1CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025054110	0	55	0.0	-71.14	440.92	1.93	-69.21
C[N@H+]1CCCCC1CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025054110	1	55	0.0	-72.94	440.84	1.99	-70.95
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CC[N@@H+]3CCOCC23)CC1	REAL300025054132	0	51	0.0	-70.45	415.34	-0.66	-71.11
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CC[N@H+]3CCOCC23)CC1	REAL300025054132	1	51	0.0	-68.95	419.41	-0.11	-69.06
C[N@@H+]1CCOCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025054149	1	50	0.0	-61.56	400.68	-1.29	-62.85
C[N@H+]1CCOCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025054149	1	50	0.0	-79.13	409.66	-1.10	-80.23
CC1=C(C)[NH+]=C(CCC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)N1	REAL300025054156	1	50	0.0	-60.04	429.08	0.87	-59.17
CCOCC(N=[N+]=[N-])C(=O)NCC1(NC(=O)CSC2=NC(=O)NN2)CC1	REAL300025054160	0	46	0.0	-23.62	412.02	-4.11	-27.73
C[NH+](C)CCSCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025054230	0	49	0.0	-79.26	427.27	0.99	-78.27
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CC3COCC[N@@H+]3C2)CC1	REAL300025054236	0	51	0.0	-74.87	419.23	-0.65	-75.52
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CC3COCC[N@H+]3C2)CC1	REAL300025054236	1	51	0.0	-68.21	418.90	-0.04	-68.25
C[NH+](C)CC(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025054272	0	55	0.0	-72.85	430.78	4.28	-68.57
[N-]=[N+]=NCC(=O)N1CCC(C2CCN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025054277	0	49	0.0	-25.80	407.71	-0.14	-25.94
[N-]=[N+]=NCC(=O)N1CCC(C2CCN(C(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025054341	0	49	0.0	-24.70	407.75	-0.08	-24.78
C[NH+](C)CC(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025054348	0	55	0.0	-73.88	430.80	4.32	-69.56
C[NH+](C)CC(=O)N1CCCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025054388	0	55	0.0	-69.07	414.65	3.90	-65.17
[N-]=[N+]=NCC(=O)N1CCCCC1C1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025054393	0	49	0.0	-20.44	391.63	-0.36	-20.80
[N-]=[N+]=NCC(=O)N1CCC(C2CCCCN2C(=O)CSC2=NC(=O)NN2)C1	REAL300025054455	0	49	0.0	-21.29	391.62	-0.33	-21.62
C[NH+](C)CC(=O)N1CCC(C2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025054462	0	55	0.0	-67.06	420.47	4.20	-62.86
C[NH+](C)CC(=O)N1C2CCCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025054570	0	52	0.0	-65.52	401.78	2.88	-62.64
C[C@@H](C(=O)N1C2CCCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025054575	0	55	0.0	-63.65	420.63	3.12	-60.53
[N-]=[N+]=NCC(=O)N1C2CCCC1CC(NC(=O)CSC1=NC(=O)NN1)C2	REAL300025054578	0	46	0.0	-22.44	379.70	-1.97	-24.41
C[C@@H](C(=O)N1C2CCCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025054588	0	55	0.0	-63.65	420.63	3.12	-60.53
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCCC(C1)N2C(=O)C[NH+]1CCC1	REAL300025054596	1	53	0.0	-70.69	412.83	2.85	-67.84
C[C@H](C(=O)N1C2CCCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025054601	0	55	0.0	-65.38	420.65	3.11	-62.27
CC[N@H+](C)CC(=O)N1C2CCCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025054613	0	55	0.0	-64.66	419.55	3.53	-61.13
CC[N@@H+](C)CC(=O)N1C2CCCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025054613	1	55	0.0	-64.54	419.57	3.56	-60.98
C[C@@H](C(=O)NC1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025054759	0	55	0.0	-69.46	420.85	2.92	-66.54
CC[N@H+](C)CC(=O)NC1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025054778	0	55	0.0	-70.03	420.47	3.19	-66.84
CC[N@@H+](C)CC(=O)NC1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025054778	1	55	0.0	-70.08	420.43	3.19	-66.89
C[C@H](C(=O)NC1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025054791	0	55	0.0	-68.23	420.76	2.93	-65.30
[N-]=[N+]=NCC(=O)NC1CC2CCCC(C1)N2C(=O)CSC1=NC(=O)NN1	REAL300025054816	0	46	0.0	-21.94	379.74	-1.88	-23.82
C[NH+](C)CC(=O)NC1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025054847	0	52	0.0	-70.82	402.69	2.52	-68.30
C[C@@H](C(=O)NC1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025054850	0	55	0.0	-69.46	420.85	2.92	-66.54
O=C(C[NH+]1CCC1)NC1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025054857	1	53	0.0	-71.06	413.32	2.99	-68.07
C[N@@H+]1CCCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055000	0	53	0.0	-60.68	397.79	3.35	-57.33
C[N@H+]1CCCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055000	1	53	0.0	-60.61	397.75	3.35	-57.26
CCC(C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025055103	0	55	0.0	-62.64	411.28	4.01	-58.63
CCC[N@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055108	0	55	0.0	-65.88	417.82	4.24	-61.64
CCC[N@@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055108	1	55	0.0	-73.81	414.57	5.14	-68.67
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055116	0	53	0.0	-60.20	397.83	3.38	-56.82
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055116	1	53	0.0	-62.85	400.29	3.74	-59.11
CC[NH+](CC)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055121	0	55	0.0	-63.76	409.71	3.90	-59.86
CC[N@H+](C)CCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055179	0	55	0.0	-69.19	418.37	4.07	-65.12
CC[N@@H+](C)CCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055179	1	55	0.0	-68.95	418.27	4.08	-64.87
CC[C@@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025055182	0	55	0.0	-60.23	405.91	3.72	-56.51
C[NH+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055200	0	49	0.0	-66.53	378.18	2.83	-63.70
CC(C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+]1CCC1	REAL300025055204	1	53	0.0	-65.01	402.99	3.53	-61.48
C[N@H+](CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300025055211	0	53	0.0	-70.38	404.59	5.14	-65.24
C[N@@H+](CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300025055211	1	53	0.0	-63.02	407.60	4.25	-58.77
C[NH+]1CC(CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300025055217	0	53	0.0	-74.44	406.77	4.57	-69.87
C[C@@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025055224	0	52	0.0	-64.77	398.38	3.31	-61.46
[N-]=[N+]=NCC(=O)N1C2CCC1CN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300025055227	0	43	0.0	-25.21	355.11	-1.58	-26.79
C[C@@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025055246	0	52	0.0	-64.77	398.38	3.31	-61.46
O=C(C[NH+]1CCC1)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055264	1	50	0.0	-67.02	388.44	3.29	-63.73
C[C@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025055275	0	52	0.0	-62.92	398.79	3.27	-59.65
CC1C[NH+](CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300025055282	1	53	0.0	-66.57	409.50	3.93	-62.64
C[N@H+](CCO)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055293	1	53	0.0	-74.04	403.42	1.15	-72.89
C[N@@H+](CCO)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055293	1	53	0.0	-65.57	406.13	0.26	-65.31
CC[N@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055300	0	52	0.0	-65.70	396.32	3.50	-62.20
CC[N@@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055300	1	52	0.0	-73.49	393.07	4.39	-69.10
C[NH+](C)CC=CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055318	0	53	0.0	-74.83	415.90	4.10	-70.73
CC[N@@H+]1CCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055324	1	53	0.0	-70.70	399.11	4.42	-66.28
CC[N@H+]1CCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055324	1	53	0.0	-62.56	403.08	3.45	-59.11
C[NH+](C)C(C)(C)C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055338	0	55	0.0	-67.10	393.50	3.08	-64.02
C[NH+](C)C1(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)CC3)CC1	REAL300025055361	0	53	0.0	-64.25	399.77	3.57	-60.68
CC(C[NH+](C)C)C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055383	0	55	0.0	-67.73	417.56	4.01	-63.72
CC1CC[N@@H+]1CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055394	1	53	0.0	-64.78	404.18	3.66	-61.12
CC1CC[N@H+]1CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025055394	1	53	0.0	-70.97	400.78	4.52	-66.45
C[N@@H+]1CCCC1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055509	0	53	0.0	-61.22	399.46	3.55	-57.67
C[N@H+]1CCCC1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055509	1	53	0.0	-76.41	397.52	3.26	-73.15
CCC(C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025055583	0	55	0.0	-65.96	406.08	3.66	-62.30
CCC[N@H+](C)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055587	0	55	0.0	-71.29	417.41	4.21	-67.08
CCC[N@@H+](C)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055587	1	55	0.0	-71.08	417.40	4.21	-66.87
CC[N@H+](C)CCC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055604	0	55	0.0	-74.57	418.28	4.05	-70.52
CC[N@@H+](C)CCC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055604	1	55	0.0	-75.11	418.37	4.06	-71.05
CC[C@@H](C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025055645	0	55	0.0	-74.57	405.11	3.79	-70.78
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055691	0	53	0.0	-69.86	393.80	4.19	-65.67
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055691	1	53	0.0	-56.12	403.50	3.74	-52.38
C[C@@H](C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025055746	0	52	0.0	-71.20	387.04	3.92	-67.28
C[N@H+](CCO)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055756	1	53	0.0	-71.16	406.25	0.23	-70.93
C[N@@H+](CCO)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055756	1	53	0.0	-72.93	406.04	0.23	-72.70
CC1C[NH+](CC(=O)N2CCC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025055772	1	53	0.0	-73.43	406.66	4.76	-68.67
CC[N@H+](C)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055790	0	52	0.0	-71.01	395.91	3.46	-67.55
CC[N@@H+](C)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055790	1	52	0.0	-71.57	395.96	3.44	-68.13
CC(C[NH+](C)C)C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055823	0	55	0.0	-59.97	417.46	3.97	-56.00
C[NH+](C)C1(C(=O)N2CCC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025055826	0	53	0.0	-71.42	393.37	4.33	-67.09
C[C@H](C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025055830	0	52	0.0	-56.76	394.69	3.16	-53.60
CC[N@@H+]1CCC1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055833	1	53	0.0	-69.46	402.41	3.46	-66.00
CC[N@H+]1CCC1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055833	1	53	0.0	-68.39	401.45	3.42	-64.97
C[NH+](C)C(C)(C)C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055842	0	55	0.0	-73.48	390.43	3.15	-70.33
[N-]=[N+]=NCC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NC(=O)NN1	REAL300025055891	0	43	0.0	-25.28	355.14	-1.60	-26.88
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055904	0	53	0.0	-68.22	402.84	3.62	-64.60
C[N@H+]1CCC[C@H]1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055904	1	53	0.0	-68.62	396.94	3.32	-65.30
C[N@H+](CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025055941	0	53	0.0	-68.42	407.45	4.21	-64.21
C[N@@H+](CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025055941	1	53	0.0	-68.36	407.57	4.21	-64.15
C[NH+]1CC(CC(=O)N2CCC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025055969	0	53	0.0	-76.15	409.56	3.65	-72.50
C[NH+](C)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055972	0	49	0.0	-71.53	378.18	2.80	-68.73
C[C@@H](C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025055975	0	52	0.0	-71.20	387.04	3.92	-67.28
CC1CC[N@@H+]1CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055984	1	53	0.0	-69.95	409.51	3.94	-66.01
CC1CC[N@H+]1CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055984	1	53	0.0	-70.16	409.54	3.85	-66.31
C[NH+](C)CC=CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055985	0	53	0.0	-80.63	414.62	4.06	-76.57
CC[NH+](CC)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025055991	0	55	0.0	-69.40	414.42	4.13	-65.27
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C[NH+]1CCC1)CC2	REAL300025055992	1	50	0.0	-72.78	388.50	3.27	-69.51
CC(C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025056015	1	53	0.0	-68.54	395.79	4.35	-64.19
NC(=[NH2+])SCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025056055	0	47	0.0	-70.39	386.71	-0.24	-70.63
C[N@@H+]1CCC[C@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025056087	0	53	0.0	-68.92	392.41	4.28	-64.64
C[N@H+]1CCC[C@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025056087	1	53	0.0	-60.52	398.22	3.37	-57.15
C[NH+](C)CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCCCC1	REAL300025056139	0	57	0.0	-72.66	436.56	3.51	-69.15
[N-]=[N+]=NCC(=O)NCCN(C(=O)CSC1=NC(=O)NN1)C1CCCCCC1	REAL300025056144	0	51	0.0	-23.73	413.52	-0.89	-24.62
[N-]=[N+]=NCC(=O)N(CCNC(=O)CSC1=NC(=O)NN1)C1CCCCCC1	REAL300025056199	0	51	0.0	-23.22	412.00	-0.96	-24.18
C[NH+](C)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCCC1	REAL300025056205	0	57	0.0	-69.42	436.73	3.55	-65.87
C[NH+](C)CC(=O)N1CCC(N(CC2CC2)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025056246	0	55	0.0	-68.97	432.19	5.23	-63.74
[N-]=[N+]=NCC(=O)N1CCC(N(CC2CC2)C(=O)CSC2=NC(=O)NN2)CC1	REAL300025056251	0	49	0.0	-24.20	406.79	0.76	-23.44
[N-]=[N+]=NCC(=O)N(CC1CC1)C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025056311	0	49	0.0	-23.54	406.80	0.79	-22.75
C[NH+](C)CC(=O)N(CC1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025056317	0	55	0.0	-71.54	432.13	5.26	-66.28
COCCN(C(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])CC1	REAL300025056355	0	49	0.0	-25.62	404.86	-1.35	-26.97
COCCN(C(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025056397	0	49	0.0	-24.56	404.84	-1.34	-25.90
C[N@@H+]1CCCC1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056513	0	53	0.0	-72.91	389.53	4.12	-68.79
C[N@H+]1CCCC1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056513	1	53	0.0	-72.00	393.66	4.18	-67.82
CCC(C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025056616	0	55	0.0	-70.58	392.06	4.19	-66.39
CCC[N@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056621	0	55	0.0	-76.00	414.91	5.01	-70.99
CCC[N@@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056621	1	55	0.0	-75.82	414.61	5.03	-70.79
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056629	0	53	0.0	-72.08	393.52	4.14	-67.94
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056629	1	53	0.0	-72.37	400.04	4.46	-67.91
CC[NH+](CC)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056634	0	55	0.0	-73.67	411.37	4.97	-68.70
CC[N@H+](C)CCC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056692	0	55	0.0	-76.90	415.42	4.89	-72.01
CC[N@@H+](C)CCC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056692	1	55	0.0	-76.88	415.43	4.89	-71.99
CC[C@@H](C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025056695	0	55	0.0	-72.58	404.98	4.58	-68.00
C[NH+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056713	0	49	0.0	-76.21	375.38	3.62	-72.59
CC(C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025056717	1	53	0.0	-72.25	393.68	4.31	-67.94
C[N@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025056724	0	53	0.0	-72.43	404.97	4.99	-67.44
C[N@@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025056724	1	53	0.0	-72.96	404.79	5.03	-67.93
C[NH+]1CC(CC(=O)N2CC3CCCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025056730	0	53	0.0	-75.54	406.61	4.51	-71.03
C[C@@H](C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025056737	0	52	0.0	-73.47	388.39	3.84	-69.63
[N-]=[N+]=NCC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NC(=O)NN1	REAL300025056740	0	43	0.0	-23.64	352.30	-0.79	-24.43
C[C@@H](C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025056759	0	52	0.0	-73.47	388.39	3.84	-69.63
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C[NH+]1CCC1)C2	REAL300025056777	1	50	0.0	-75.19	385.60	4.08	-71.11
C[C@H](C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025056788	0	52	0.0	-71.67	384.31	3.71	-67.96
CC1C[NH+](CC(=O)N2CC3CCCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025056795	1	53	0.0	-75.80	405.65	4.72	-71.08
C[N@H+](CCO)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056806	1	53	0.0	-75.82	403.46	1.04	-74.78
C[N@@H+](CCO)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056806	1	53	0.0	-75.53	403.56	1.02	-74.51
CC[N@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056813	0	52	0.0	-75.58	393.41	4.26	-71.32
CC[N@@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056813	1	52	0.0	-75.42	393.11	4.29	-71.13
C[NH+](C)CC=CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056831	0	53	0.0	-77.73	410.28	4.86	-72.87
CC[N@@H+]1CCC1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056837	1	53	0.0	-72.47	395.86	4.20	-68.27
CC[N@H+]1CCC1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056837	1	53	0.0	-73.20	406.61	4.60	-68.60
C[NH+](C)C(C)(C)C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056851	0	55	0.0	-71.61	390.05	4.06	-67.55
C[NH+](C)C1(C(=O)N2CC3CCCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025056874	0	53	0.0	-73.79	388.44	3.91	-69.88
CC(C[NH+](C)C)C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056896	0	55	0.0	-75.81	411.29	4.68	-71.13
CC1CC[N@@H+]1CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056907	1	53	0.0	-73.17	401.12	4.45	-68.72
CC1CC[N@H+]1CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025056907	1	53	0.0	-73.05	401.65	4.49	-68.56
C[N@@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057022	0	53	0.0	-69.44	397.02	4.40	-65.04
C[N@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057022	1	53	0.0	-72.47	393.79	4.14	-68.33
CCC(C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025057096	0	55	0.0	-71.24	403.05	4.56	-66.68
CCC[N@H+](C)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057100	0	55	0.0	-74.10	414.82	5.04	-69.06
CCC[N@@H+](C)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057100	1	55	0.0	-74.63	414.53	5.05	-69.58
CC[N@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057117	0	55	0.0	-75.67	415.42	4.89	-70.78
CC[N@@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057117	1	55	0.0	-75.60	415.42	4.90	-70.70
CC[C@@H](C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025057158	0	55	0.0	-71.62	405.74	4.65	-66.97
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057204	0	53	0.0	-71.57	393.73	4.15	-67.42
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057204	1	53	0.0	-69.88	394.15	4.29	-65.59
C[C@@H](C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025057259	0	52	0.0	-71.62	391.28	3.99	-67.63
C[N@H+](CCO)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057269	1	53	0.0	-75.00	403.46	1.05	-73.95
C[N@@H+](CCO)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057269	1	53	0.0	-74.09	403.45	1.06	-73.03
CC1C[NH+](CC(=O)N2C3CCCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025057285	1	53	0.0	-74.07	407.10	4.68	-69.39
CC[N@H+](C)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057303	0	52	0.0	-73.68	393.32	4.29	-69.39
CC[N@@H+](C)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057303	1	52	0.0	-74.31	393.03	4.30	-70.01
CC(C[NH+](C)C)C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057336	0	55	0.0	-70.65	411.45	4.69	-65.96
C[NH+](C)C1(C(=O)N2C3CCCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025057339	0	53	0.0	-72.86	391.28	3.82	-69.04
C[C@H](C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025057343	0	52	0.0	-72.03	391.74	3.97	-68.06
CC[N@@H+]1CCC1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057346	1	53	0.0	-72.81	406.43	4.60	-68.21
CC[N@H+]1CCC1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057346	1	53	0.0	-70.63	398.28	4.29	-66.34
C[NH+](C)C(C)(C)C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057355	0	55	0.0	-71.29	395.00	4.06	-67.23
[N-]=[N+]=NCC(=O)N1C2CCCC1CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025057404	0	43	0.0	-23.79	352.27	-0.79	-24.58
C[N@@H+]1CCC[C@H]1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057417	0	53	0.0	-70.17	397.33	4.45	-65.72
C[N@H+]1CCC[C@H]1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057417	1	53	0.0	-72.36	393.75	4.15	-68.21
C[N@H+](CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025057454	0	53	0.0	-70.78	405.08	5.00	-65.78
C[N@@H+](CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025057454	1	53	0.0	-71.96	404.73	5.04	-66.92
C[NH+]1CC(CC(=O)N2C3CCCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025057482	0	53	0.0	-74.81	406.59	4.48	-70.33
C[NH+](C)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057485	0	49	0.0	-74.98	375.65	3.60	-71.38
C[C@@H](C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025057488	0	52	0.0	-71.62	391.28	3.99	-67.63
CC1CC[N@@H+]1CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057497	1	53	0.0	-73.02	406.63	4.70	-68.32
CC1CC[N@H+]1CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057497	1	53	0.0	-71.95	401.07	4.43	-67.52
C[NH+](C)CC=CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057498	0	53	0.0	-77.13	411.61	4.86	-72.27
CC[NH+](CC)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057504	0	55	0.0	-72.01	406.88	4.68	-67.33
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C[NH+]1CCC1	REAL300025057505	1	50	0.0	-73.99	385.61	4.12	-69.87
CC(C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025057528	1	53	0.0	-70.47	393.11	4.15	-66.32
NC(=[NH2+])SCC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025057568	0	47	0.0	-76.25	383.30	0.66	-75.59
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025057600	0	53	0.0	-70.31	397.13	4.37	-65.94
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025057600	1	53	0.0	-71.94	393.80	4.17	-67.77
C[NH+](C)CC(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057723	0	52	0.0	-71.77	407.28	3.67	-68.10
C[C@@H](C(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025057728	0	55	0.0	-69.22	424.01	3.79	-65.43
[N-]=[N+]=NCC(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025057731	0	46	0.0	-25.66	384.08	-0.82	-26.48
C[C@@H](C(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025057741	0	55	0.0	-69.22	424.01	3.79	-65.43
O=C(C[NH+]1CCC1)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057749	1	53	0.0	-65.22	418.44	4.20	-61.02
C[C@H](C(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025057754	0	55	0.0	-62.18	424.79	4.06	-58.12
CC[N@H+](C)CC(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057766	0	55	0.0	-70.38	424.85	4.25	-66.13
CC[N@@H+](C)CC(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025057766	1	55	0.0	-70.35	424.85	4.25	-66.10
C[C@@H](C(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025057912	0	55	0.0	-72.59	422.62	3.84	-68.75
CC[N@H+](C)CC(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025057931	0	55	0.0	-74.19	424.37	4.15	-70.04
CC[N@@H+](C)CC(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025057931	1	55	0.0	-74.19	424.38	4.15	-70.04
C[C@H](C(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025057944	0	55	0.0	-67.65	423.29	3.98	-63.67
[N-]=[N+]=NCC(=O)N1CCCC2(CCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025057969	0	46	0.0	-27.01	384.25	-0.76	-27.77
C[NH+](C)CC(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058000	0	52	0.0	-70.85	407.28	3.65	-67.20
C[C@@H](C(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025058003	0	55	0.0	-72.59	422.62	3.84	-68.75
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(C1)CCCN(C(=O)C[NH+]1CCC1)C2	REAL300025058010	1	53	0.0	-71.58	416.14	3.86	-67.72
C[NH+](C)CC(=O)N1CCC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025058149	0	52	0.0	-74.38	406.12	3.35	-71.03
C[C@@H](C(=O)N1CCC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025058154	0	55	0.0	-72.54	420.81	3.59	-68.95
[N-]=[N+]=NCC(=O)N1CCC2(C1)CCN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300025058157	0	46	0.0	-25.53	383.11	-1.05	-26.58
C[C@@H](C(=O)N1CCC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025058167	0	55	0.0	-72.54	420.81	3.59	-68.95
O=C(C[NH+]1CCC1)N1CCC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025058175	1	53	0.0	-73.59	416.57	3.82	-69.77
C[C@H](C(=O)N1CCC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025058180	0	55	0.0	-72.97	420.36	3.56	-69.41
CC[N@H+](C)CC(=O)N1CCC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025058192	0	55	0.0	-74.03	423.91	4.03	-70.00
CC[N@@H+](C)CC(=O)N1CCC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025058192	1	55	0.0	-73.96	423.91	4.04	-69.92
C[C@@H](C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025058338	0	55	0.0	-70.43	422.52	3.69	-66.74
CC[N@H+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025058357	0	55	0.0	-74.96	423.96	3.95	-71.01
CC[N@@H+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025058357	1	55	0.0	-72.21	423.87	3.97	-68.24
C[C@H](C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025058370	0	55	0.0	-69.59	422.29	3.62	-65.97
[N-]=[N+]=NCC(=O)N1CCC2(CCN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025058395	0	46	0.0	-24.56	383.09	-1.11	-25.67
C[NH+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025058426	0	52	0.0	-75.80	406.23	3.27	-72.53
C[C@@H](C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025058429	0	55	0.0	-70.43	422.52	3.69	-66.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(C1)CCN(C(=O)C[NH+]1CCC1)CC2	REAL300025058436	1	53	0.0	-72.88	416.25	3.72	-69.16
C[N@@H+]1CCCC1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058579	0	53	0.0	-71.36	417.38	3.42	-67.94
C[N@H+]1CCCC1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058579	1	53	0.0	-70.53	416.40	3.48	-67.05
CCC(C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025058682	0	55	0.0	-73.66	424.94	3.73	-69.93
CCC[N@H+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058687	0	55	0.0	-70.41	436.57	4.13	-66.28
CCC[N@@H+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058687	1	55	0.0	-70.55	436.57	4.13	-66.42
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058695	0	53	0.0	-71.15	412.98	3.11	-68.04
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058695	1	53	0.0	-72.61	414.93	3.41	-69.20
CC[NH+](CC)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058700	0	55	0.0	-68.85	428.94	3.79	-65.06
CC[N@H+](C)CCC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058758	0	55	0.0	-75.58	434.68	3.89	-71.69
CC[N@@H+](C)CCC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058758	1	55	0.0	-75.47	434.68	3.87	-71.60
CC[C@@H](C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025058761	0	55	0.0	-72.11	424.90	3.71	-68.40
C[NH+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058779	0	49	0.0	-70.90	397.35	2.71	-68.19
CC(C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025058783	1	53	0.0	-73.63	422.22	3.50	-70.13
C[N@H+](CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025058790	0	53	0.0	-70.30	423.85	4.04	-66.26
C[N@@H+](CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025058790	1	53	0.0	-71.19	423.99	4.05	-67.14
C[NH+]1CC(CC(=O)N2CCC3(CCN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025058796	0	53	0.0	-75.88	427.46	3.51	-72.37
C[C@@H](C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025058803	0	52	0.0	-74.21	411.57	2.99	-71.22
[N-]=[N+]=NCC(=O)N1CCC2(CCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025058806	0	43	0.0	-25.91	372.89	-1.75	-27.66
C[C@@H](C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025058825	0	52	0.0	-74.21	411.57	2.99	-71.22
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCN(C(=O)C[NH+]3CCC3)C2)C1	REAL300025058843	1	50	0.0	-76.77	406.03	3.09	-73.68
C[C@H](C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025058854	0	52	0.0	-73.84	411.33	3.00	-70.84
CC1C[NH+](CC(=O)N2CCC3(CCN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025058861	1	53	0.0	-76.51	427.20	3.76	-72.75
C[N@H+](CCO)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058872	1	53	0.0	-71.61	425.42	0.16	-71.45
C[N@@H+](CCO)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058872	1	53	0.0	-70.41	425.22	0.15	-70.26
CC[N@H+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058879	0	52	0.0	-70.03	415.06	3.40	-66.63
CC[N@@H+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058879	1	52	0.0	-70.11	415.07	3.39	-66.72
C[NH+](C)CC=CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058897	0	53	0.0	-76.32	432.56	3.91	-72.41
CC[N@@H+]1CCC1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058903	1	53	0.0	-69.38	419.04	3.27	-66.11
CC[N@H+]1CCC1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058903	1	53	0.0	-71.89	427.56	3.66	-68.23
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058917	0	55	0.0	-68.70	416.69	3.15	-65.55
C[NH+](C)C1(C(=O)N2CCC3(CCN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025058940	0	53	0.0	-74.13	416.46	3.30	-70.83
CC(C[NH+](C)C)C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058962	0	55	0.0	-79.43	436.23	3.83	-75.60
CC1CC[N@@H+]1CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058973	1	53	0.0	-73.42	420.36	3.44	-69.98
CC1CC[N@H+]1CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025058973	1	53	0.0	-72.05	427.22	3.74	-68.31
C[N@@H+]1CCCC1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059088	0	53	0.0	-71.36	417.38	3.42	-67.94
C[N@H+]1CCCC1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059088	1	53	0.0	-70.53	416.40	3.48	-67.05
CCC(C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025059162	0	55	0.0	-73.66	424.94	3.73	-69.93
CCC[N@H+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059166	0	55	0.0	-70.41	436.57	4.13	-66.28
CCC[N@@H+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059166	1	55	0.0	-70.55	436.57	4.13	-66.42
CC[N@H+](C)CCC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059183	0	55	0.0	-75.58	434.68	3.89	-71.69
CC[N@@H+](C)CCC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059183	1	55	0.0	-75.47	434.68	3.87	-71.60
CC[C@@H](C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025059224	0	55	0.0	-72.11	424.90	3.71	-68.40
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059270	0	53	0.0	-71.15	412.98	3.11	-68.04
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059270	1	53	0.0	-72.61	414.93	3.41	-69.20
C[C@@H](C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025059325	0	52	0.0	-74.21	411.57	2.99	-71.22
C[N@H+](CCO)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059335	1	53	0.0	-71.61	425.42	0.16	-71.45
C[N@@H+](CCO)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059335	1	53	0.0	-70.41	425.22	0.15	-70.26
CC1C[NH+](CC(=O)N2CCC3(CCN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025059351	1	53	0.0	-76.51	427.20	3.76	-72.75
CC[N@H+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059369	0	52	0.0	-70.03	415.06	3.40	-66.63
CC[N@@H+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059369	1	52	0.0	-70.11	415.07	3.39	-66.72
CC(C[NH+](C)C)C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059402	0	55	0.0	-79.43	436.23	3.83	-75.60
C[NH+](C)C1(C(=O)N2CCC3(CCN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025059405	0	53	0.0	-74.13	416.46	3.30	-70.83
C[C@H](C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025059409	0	52	0.0	-73.84	411.33	3.00	-70.84
CC[N@@H+]1CCC1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059412	1	53	0.0	-69.38	419.04	3.27	-66.11
CC[N@H+]1CCC1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059412	1	53	0.0	-71.89	427.56	3.66	-68.23
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059421	0	55	0.0	-68.70	416.69	3.15	-65.55
[N-]=[N+]=NCC(=O)N1CCC2(CCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025059470	0	43	0.0	-25.91	372.89	-1.75	-27.66
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059483	0	53	0.0	-70.92	418.01	3.49	-67.43
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059483	1	53	0.0	-75.32	415.99	3.20	-72.12
C[N@H+](CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025059520	0	53	0.0	-70.30	423.85	4.04	-66.26
C[N@@H+](CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025059520	1	53	0.0	-71.19	423.99	4.05	-67.14
C[NH+]1CC(CC(=O)N2CCC3(CCN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025059548	0	53	0.0	-75.88	427.46	3.51	-72.37
C[NH+](C)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059551	0	49	0.0	-70.90	397.35	2.71	-68.19
C[C@@H](C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025059554	0	52	0.0	-74.21	411.57	2.99	-71.22
CC1CC[N@@H+]1CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059563	1	53	0.0	-73.42	420.36	3.44	-69.98
CC1CC[N@H+]1CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059563	1	53	0.0	-72.05	427.22	3.74	-68.31
C[NH+](C)CC=CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059564	0	53	0.0	-76.32	432.56	3.91	-72.41
CC[NH+](CC)CC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059570	0	55	0.0	-68.85	428.94	3.79	-65.06
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCN(C(=O)C[NH+]3CCC3)C2)C1	REAL300025059571	1	50	0.0	-76.77	406.03	3.09	-73.68
CC(C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025059594	1	53	0.0	-73.63	422.22	3.50	-70.13
NC(=[NH2+])SCC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059634	0	47	0.0	-78.35	402.81	-0.48	-78.83
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059666	0	53	0.0	-70.92	418.01	3.49	-67.43
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025059666	1	53	0.0	-75.32	415.99	3.20	-72.12
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300025059849	0	52	0.0	-65.82	401.06	2.72	-63.10
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C	REAL300025059849	1	52	0.0	-68.32	400.77	1.96	-66.36
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060009	1	50	0.0	-65.34	407.27	3.41	-61.93
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@@H+]1C	REAL300025060025	0	55	0.0	-72.55	417.95	2.41	-70.14
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@H+]1C	REAL300025060025	1	55	0.0	-72.19	424.81	2.65	-69.54
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300025060048	0	55	0.0	-67.18	424.08	3.79	-63.39
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300025060048	1	55	0.0	-67.50	428.09	3.40	-64.10
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025060071	0	55	0.0	-73.43	427.82	2.95	-70.48
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060086	1	50	0.0	-68.93	410.84	3.72	-65.21
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300025060093	0	55	0.0	-71.30	428.30	3.08	-68.22
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300025060093	1	55	0.0	-71.90	428.60	3.08	-68.82
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025060096	0	54	0.0	-68.45	413.37	2.38	-66.07
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCC[NH+](C)C	REAL300025060107	0	57	0.0	-72.61	448.87	3.55	-69.06
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060110	0	57	0.0	-70.75	439.37	3.82	-66.93
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060110	1	57	0.0	-70.81	439.37	3.85	-66.96
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060111	0	54	0.0	-69.02	417.07	3.21	-65.81
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060111	1	54	0.0	-69.73	421.22	2.82	-66.91
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300025060123	0	52	0.0	-66.40	401.79	2.18	-64.22
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300025060123	1	52	0.0	-68.27	400.74	1.96	-66.31
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060131	0	54	0.0	-68.33	419.50	2.73	-65.60
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300025060176	0	55	0.0	-66.05	425.05	3.49	-62.56
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025060190	0	55	0.0	-73.43	427.82	2.95	-70.48
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060215	0	54	0.0	-71.78	423.57	2.64	-69.14
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060215	1	54	0.0	-71.85	423.57	2.65	-69.20
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060223	0	55	0.0	-66.30	420.80	2.80	-63.50
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060223	1	55	0.0	-65.93	422.91	3.58	-62.35
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025060224	0	55	0.0	-68.17	423.91	3.54	-64.63
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025060224	1	55	0.0	-67.91	423.29	3.54	-64.37
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025060226	0	54	0.0	-67.55	411.65	2.47	-65.08
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+](C)C	REAL300025060254	0	48	0.0	-70.79	383.51	1.37	-69.42
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300025060255	0	50	0.0	-67.15	413.27	4.95	-62.20
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300025060258	0	55	0.0	-69.35	417.66	3.17	-66.18
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300025060258	1	55	0.0	-64.52	416.80	3.01	-61.51
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CCC1	REAL300025060264	0	52	0.0	-67.91	412.53	2.32	-65.59
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300025060273	0	52	0.0	-67.28	411.47	2.84	-64.44
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CC1	REAL300025060273	1	52	0.0	-66.08	407.04	3.22	-62.86
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1C[NH+](C)C1	REAL300025060282	0	52	0.0	-71.47	414.95	2.24	-69.23
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025060294	0	51	0.0	-67.28	393.02	2.11	-65.17
CC1CC(NC(=O)CSC2=NC(=O)NN2)CCN1C(=O)CN=[N+]=[N-]	REAL300025060301	0	42	0.0	-23.05	360.48	-3.03	-26.08
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025060327	0	51	0.0	-67.28	393.02	2.11	-65.17
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025060330	0	55	0.0	-65.80	422.69	3.00	-62.80
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300025060330	1	55	0.0	-68.18	414.36	2.68	-65.50
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC1	REAL300025060354	1	49	0.0	-70.42	393.81	1.84	-68.58
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300025060361	0	53	0.0	-73.11	418.98	3.04	-70.07
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300025060361	1	53	0.0	-74.01	420.19	2.97	-71.04
C[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025060376	0	51	0.0	-68.54	398.78	1.68	-66.86
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025060391	1	52	0.0	-70.21	414.73	2.46	-67.75
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CCO	REAL300025060403	1	52	0.0	-70.08	410.08	-1.16	-71.24
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CCO	REAL300025060403	1	52	0.0	-69.74	410.16	-1.13	-70.87
CC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300025060413	0	57	0.0	-73.31	439.01	3.47	-69.84
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060415	0	51	0.0	-69.29	399.73	2.07	-67.22
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060415	1	51	0.0	-69.42	399.87	2.09	-67.33
CC[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300025060424	0	55	0.0	-65.90	430.59	3.45	-62.45
CC[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300025060424	1	55	0.0	-66.62	427.89	3.44	-63.18
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060429	0	57	0.0	-71.14	437.11	3.07	-68.07
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300025060437	1	55	0.0	-69.56	432.44	3.02	-66.54
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+](C)C	REAL300025060442	0	52	0.0	-74.31	418.37	2.60	-71.71
CC(CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025060455	0	57	0.0	-73.68	437.15	3.14	-70.54
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060459	0	52	0.0	-68.50	413.29	2.38	-66.12
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060459	1	52	0.0	-68.24	412.23	2.37	-65.87
C=CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025060477	0	55	0.0	-67.26	424.38	2.83	-64.43
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300025060484	0	53	0.0	-68.53	412.43	3.63	-64.90
CCCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025060488	0	57	0.0	-67.78	432.91	3.08	-64.70
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300025060498	0	55	0.0	-66.87	406.91	2.87	-64.00
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300025060498	1	55	0.0	-66.91	410.15	3.04	-63.87
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCC1	REAL300025060530	0	55	0.0	-70.58	430.39	3.22	-67.36
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060564	0	54	0.0	-74.89	422.35	2.57	-72.32
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CC(C)C1	REAL300025060583	0	55	0.0	-67.29	424.42	2.56	-64.73
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060584	0	52	0.0	-66.61	403.60	2.63	-63.98
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060584	1	52	0.0	-67.79	409.14	2.89	-64.90
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025060611	0	55	0.0	-70.21	430.99	3.14	-67.07
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025060612	0	57	0.0	-75.35	443.99	3.18	-72.17
CC1CC(NC(=O)C2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025060777	0	52	0.0	-68.11	408.11	2.58	-65.53
CC1CC(NC(=O)C2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025060777	1	52	0.0	-69.46	402.05	2.08	-67.38
CC1CC(NC(=O)C2C[N@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025060803	1	53	0.0	-76.82	408.07	2.21	-74.61
CC1CC(NC(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025060803	1	53	0.0	-76.81	408.06	2.19	-74.62
CC1CC(NC(=O)CC2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025060953	0	55	0.0	-72.92	424.16	3.51	-69.41
CC1CC(NC(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025060953	1	55	0.0	-72.75	429.03	3.13	-69.62
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025060956	0	54	0.0	-67.80	411.63	2.58	-65.22
CC1CC(NC(=O)CCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025060966	0	57	0.0	-72.93	447.42	3.67	-69.26
CC(C)C(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025060969	0	57	0.0	-70.99	433.61	3.50	-67.49
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025060970	0	57	0.0	-73.50	439.37	3.87	-69.63
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025060970	1	57	0.0	-73.58	439.37	3.85	-69.73
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025060971	0	54	0.0	-71.36	421.29	2.95	-68.41
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025060971	1	54	0.0	-71.39	421.29	2.96	-68.43
CC1CC(NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061010	0	55	0.0	-71.35	434.11	3.19	-68.16
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061016	0	54	0.0	-72.76	417.87	3.13	-69.63
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061016	1	54	0.0	-72.25	422.17	2.75	-69.50
CC1CC(NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061038	0	55	0.0	-73.99	426.64	3.20	-70.79
CC(C)[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025061053	0	57	0.0	-70.76	423.76	3.83	-66.93
CC1CC(NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061075	0	55	0.0	-67.04	415.85	3.13	-63.91
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061099	0	55	0.0	-67.72	420.75	2.90	-64.82
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061099	1	55	0.0	-68.00	420.71	2.91	-65.09
CC(C)[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025061110	0	57	0.0	-69.28	427.01	4.15	-65.13
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025061118	0	55	0.0	-70.56	427.44	3.28	-67.28
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025061118	1	55	0.0	-71.64	423.90	3.66	-67.98
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025061120	0	54	0.0	-69.45	411.97	3.51	-65.94
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061157	1	50	0.0	-67.42	411.49	3.16	-64.26
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061175	1	50	0.0	-70.79	410.77	3.84	-66.95
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@@H+]1C	REAL300025061176	0	55	0.0	-71.40	419.55	2.73	-68.67
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@H+]1C	REAL300025061176	1	55	0.0	-72.23	419.95	3.17	-69.06
CC1CC(NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061206	0	55	0.0	-69.61	428.18	3.52	-66.09
CC1CC(NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061206	1	55	0.0	-69.14	428.28	3.51	-65.63
CC1CC(NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061212	0	55	0.0	-73.99	426.64	3.20	-70.79
CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061225	0	52	0.0	-68.39	409.75	2.55	-65.84
CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061225	1	52	0.0	-71.43	403.45	2.04	-69.39
CC1CC(NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061268	0	55	0.0	-69.23	419.76	3.53	-65.70
CC1CC(NC(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061268	1	55	0.0	-69.22	419.77	3.52	-65.70
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@@H+]1C	REAL300025061297	0	55	0.0	-72.23	425.59	2.96	-69.27
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@H+]1C	REAL300025061297	1	55	0.0	-70.77	429.32	3.07	-67.70
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025061338	0	51	0.0	-70.06	395.90	2.34	-67.72
CC1CC(NC(=O)CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061356	0	55	0.0	-72.19	431.81	3.20	-68.99
CC1CC(NC(=O)C[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061361	1	52	0.0	-72.02	410.15	-1.03	-73.05
CC1CC(NC(=O)C[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061361	1	52	0.0	-71.30	410.04	-1.07	-72.37
CC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025061404	1	52	0.0	-72.13	408.78	3.00	-69.13
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061436	0	51	0.0	-70.91	399.79	2.22	-68.69
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061436	1	51	0.0	-70.98	399.79	2.20	-68.78
CC(CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025061489	0	57	0.0	-70.79	439.51	3.27	-67.52
CC[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C1CC1	REAL300025061494	0	55	0.0	-68.44	428.14	3.55	-64.89
CC[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C1CC1	REAL300025061494	1	55	0.0	-69.39	423.87	3.92	-65.47
CC1CC(NC(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061507	0	53	0.0	-72.18	412.19	2.90	-69.28
CC1CC(NC(=O)C23CC(C2)C[N@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061507	1	53	0.0	-74.08	408.63	3.07	-71.01
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061516	0	54	0.0	-66.75	421.18	2.88	-63.87
CC1CC(NC(=O)C2([NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061522	0	52	0.0	-73.33	407.82	2.60	-70.73
C[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025061532	0	51	0.0	-69.23	400.07	1.96	-67.27
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061535	1	52	0.0	-70.31	413.69	2.50	-67.81
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061535	1	52	0.0	-69.99	413.63	2.54	-67.45
CC1CC(NC(=O)C2=C[NH+]=CC=C2N)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061546	0	48	0.0	-72.26	386.41	0.40	-71.86
CCCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025061550	0	57	0.0	-68.93	433.53	3.30	-65.63
CC1CC(NC(=O)C(C)(C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061553	0	54	0.0	-72.74	409.52	2.71	-70.03
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061562	0	57	0.0	-72.04	442.10	3.43	-68.61
CC1CC(NC(=O)C[NH+]2CC3CC3C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061621	0	53	0.0	-71.22	417.39	3.42	-67.80
CC1CC(NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061629	0	55	0.0	-69.23	419.76	3.53	-65.70
CC1CC(NC(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061629	1	55	0.0	-69.22	419.77	3.52	-65.70
CC1CC(NC(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061654	0	53	0.0	-74.01	416.71	3.45	-70.56
CC1CC(NC(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061654	1	53	0.0	-74.19	422.32	3.02	-71.17
CC1CC(NC(=O)CN=[N+]=[N-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300025061661	0	42	0.0	-22.39	359.06	-2.86	-25.25
CCC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025061677	1	55	0.0	-73.17	430.21	3.76	-69.41
CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061682	0	52	0.0	-70.92	402.10	2.08	-68.84
CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061682	1	52	0.0	-69.01	403.69	2.96	-66.05
CC1CC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061722	0	55	0.0	-70.55	431.78	3.26	-67.29
CC1CC(NC(=O)C[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061763	0	55	0.0	-70.79	424.26	3.41	-67.38
CC1CC(NC(=O)C2CCC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061764	0	55	0.0	-71.18	426.69	3.15	-68.03
CC1CC(NC(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061764	1	55	0.0	-65.10	420.46	3.37	-61.73
CC1CC(NC(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061765	0	50	0.0	-68.32	413.33	5.04	-63.28
CC1CC(NC(=O)C[N@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061775	0	52	0.0	-69.40	412.88	2.89	-66.51
CC1CC(NC(=O)C[N@@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061775	1	52	0.0	-69.36	407.04	3.32	-66.04
CC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C[NH+](C)C	REAL300025061783	0	57	0.0	-75.53	439.00	3.54	-71.99
CC1CC(NC(=O)CC2C[NH+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061832	0	52	0.0	-71.65	409.22	2.73	-68.92
CC1CC(NC(=O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061839	0	48	0.0	-71.63	382.06	1.54	-70.09
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025061847	0	51	0.0	-70.06	395.90	2.34	-67.72
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+]1CC(C)C1	REAL300025061861	1	55	0.0	-69.38	425.78	3.66	-65.72
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061862	1	52	0.0	-69.81	403.64	2.73	-67.08
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061862	1	52	0.0	-69.78	413.41	2.63	-67.15
CC1CC(NC(=O)C=CC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061864	0	52	0.0	-74.74	420.73	2.75	-71.99
CC1CC(NC(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061868	1	55	0.0	-72.19	428.38	3.54	-68.65
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061881	0	54	0.0	-69.32	417.76	2.89	-66.43
CC1CC(NC(=O)C[NH+]2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061886	1	49	0.0	-72.15	388.11	2.39	-69.76
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025061904	0	57	0.0	-71.57	435.76	3.18	-68.39
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+]1CCC1	REAL300025061932	1	52	0.0	-69.26	405.53	2.96	-66.30
CC1CC(NC(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061936	0	57	0.0	-69.54	429.26	3.22	-66.32
CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061956	0	55	0.0	-67.30	424.07	3.12	-64.18
CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061956	1	55	0.0	-69.05	416.11	2.91	-66.14
C=CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025061975	0	55	0.0	-68.51	425.42	3.06	-65.45
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CSC(N)=[NH2+]	REAL300025061998	0	46	0.0	-71.67	392.04	-1.67	-73.34
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025062048	0	52	0.0	-66.70	396.28	2.33	-64.37
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300025062048	1	52	0.0	-65.09	401.03	2.62	-62.47
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCCCC1	REAL300025062055	0	55	0.0	-68.26	419.55	3.67	-64.59
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@@H+]1C	REAL300025062058	0	55	0.0	-69.85	421.82	3.18	-66.67
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@H+]1C	REAL300025062058	1	55	0.0	-70.62	419.92	2.35	-68.27
C[N@@H+]1CCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062257	0	49	0.0	-69.18	395.80	1.73	-67.45
C[N@H+]1CCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062257	1	49	0.0	-72.48	389.72	1.27	-71.21
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062425	0	55	0.0	-62.56	407.60	3.75	-58.81
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062425	1	55	0.0	-64.39	412.98	3.62	-60.77
CC1=[NH+]C=CN1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062448	1	47	0.0	-68.82	400.76	2.42	-66.40
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1C[NH+]2CCC1CC2	REAL300025062468	0	53	0.0	-77.47	410.16	2.41	-75.06
C[C@@H]1[C@H](C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025062496	0	52	0.0	-77.34	406.91	1.75	-75.59
C[C@@H]1[C@H](C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025062496	1	52	0.0	-71.86	412.65	2.27	-69.59
CC[C@@H]1[C@@H](C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025062498	0	55	0.0	-75.54	423.62	2.30	-73.24
CC[C@@H]1[C@@H](C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025062498	1	55	0.0	-73.11	430.82	2.73	-70.38
CC[N@@H+]1CCOC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025062503	1	53	0.0	-72.62	414.64	1.46	-71.16
CC[N@H+]1CCOC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025062503	1	53	0.0	-82.52	421.55	1.62	-80.90
CC1CCC(C)[NH+]1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062548	0	55	0.0	-63.68	424.83	3.53	-60.15
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CCC[NH+]1CCCC1	REAL300025062550	0	55	0.0	-73.96	440.96	3.38	-70.58
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CC[NH+]1CCCCC1	REAL300025062553	0	55	0.0	-73.20	435.60	3.25	-69.95
CC[N@@H+]1CCCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062556	0	55	0.0	-64.62	416.92	3.59	-61.03
CC[N@H+]1CCCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062556	1	55	0.0	-69.27	417.51	2.52	-66.75
C[NH+](C)C1(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025062566	0	52	0.0	-71.77	395.43	2.67	-69.10
CC(C)[C@@H](C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025062572	0	54	0.0	-68.40	410.37	3.26	-65.14
C[N@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025062590	0	52	0.0	-69.47	417.55	2.79	-66.68
C[N@@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025062590	1	52	0.0	-70.10	417.45	2.77	-67.33
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062644	1	51	0.0	-67.96	417.12	2.53	-65.43
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062644	1	51	0.0	-69.69	421.61	2.94	-66.75
C[N@@H+]1CCCC1CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062649	0	55	0.0	-77.57	438.79	3.33	-74.24
C[N@H+]1CCCC1CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062649	1	55	0.0	-71.61	433.24	2.87	-68.74
C[NH+]1CCC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025062665	0	52	0.0	-72.90	408.82	3.15	-69.75
C[N@@H+]1CCCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062692	0	52	0.0	-61.83	407.75	3.14	-58.69
C[N@H+]1CCCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062692	1	52	0.0	-65.28	400.12	2.83	-62.45
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CC[NH+]1CCOCC1	REAL300025062745	1	53	0.0	-77.36	426.40	0.85	-76.51
CC1=C[NH+]=CN1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062757	1	47	0.0	-70.48	400.06	3.12	-67.36
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C12CCC[NH+]1CCC2	REAL300025062773	0	53	0.0	-61.16	404.76	2.92	-58.24
C[N@@H+]1CCC(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025062778	0	52	0.0	-74.13	418.36	2.43	-71.70
C[N@H+]1CCC(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025062778	1	52	0.0	-75.02	417.89	2.42	-72.60
CCC(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025062784	0	51	0.0	-63.20	397.17	2.68	-60.52
C[NH+](C)CCCCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062831	0	54	0.0	-76.10	436.71	2.99	-73.11
CC(C)C(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025062842	0	54	0.0	-70.22	416.45	2.31	-67.91
CCC[N@H+](C)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062843	0	54	0.0	-74.73	433.18	2.77	-71.96
CCC[N@@H+](C)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062843	1	54	0.0	-74.71	433.18	2.77	-71.94
CCC[N@H+](C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062846	0	51	0.0	-71.39	410.82	2.20	-69.19
CCC[N@@H+](C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062846	1	51	0.0	-71.44	410.82	2.20	-69.24
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300025062859	0	53	0.0	-75.04	404.65	1.62	-73.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300025062859	1	53	0.0	-67.18	400.69	2.43	-64.75
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062881	0	49	0.0	-70.05	389.54	1.27	-68.78
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062881	1	49	0.0	-63.05	389.00	2.47	-60.58
CC[NH+](CC)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025062908	0	51	0.0	-70.51	402.24	1.89	-68.62
CC1CC[NH+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025062961	0	55	0.0	-72.85	433.69	3.26	-69.59
C[NH+](C)CC1(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025062979	0	52	0.0	-67.45	412.30	3.24	-64.21
C[NH+]1CCC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025063025	0	52	0.0	-72.90	408.82	3.15	-69.75
CC(C)[C@H](C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025063040	0	54	0.0	-68.01	412.36	3.24	-64.77
CCC(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025063067	0	57	0.0	-60.80	428.35	3.64	-57.16
CC[N@H+](C)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063097	0	51	0.0	-74.03	411.72	2.03	-72.00
CC[N@@H+](C)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063097	1	51	0.0	-74.50	411.19	2.05	-72.45
CC1CCC[N@@H+]1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063120	0	52	0.0	-68.33	410.06	2.18	-66.15
CC1CCC[N@H+]1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063120	1	52	0.0	-68.93	416.76	2.57	-66.36
CC1CC[N@H+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063121	0	52	0.0	-71.32	416.88	2.54	-68.78
CC1CC[N@@H+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063121	1	52	0.0	-71.39	416.69	2.55	-68.84
CC1(C)CC[N@H+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063123	0	55	0.0	-71.06	436.21	3.05	-68.01
CC1(C)CC[N@@H+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063123	1	55	0.0	-71.67	436.64	3.07	-68.60
C[N@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025063124	0	57	0.0	-71.26	440.43	3.20	-68.06
C[N@@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025063124	1	57	0.0	-70.78	441.94	3.36	-67.42
CC[C@@H](C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025063131	0	51	0.0	-63.16	397.74	2.56	-60.60
C[NH+](C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063203	0	45	0.0	-72.48	371.13	0.81	-71.67
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[NH+]1CCCCCC1	REAL300025063206	0	55	0.0	-71.48	424.91	3.20	-68.28
CN1C=C[N+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025063209	0	47	0.0	-68.44	402.82	4.31	-64.13
C[N@@H+]1CCCC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063213	0	52	0.0	-58.10	402.54	3.24	-54.86
C[N@H+]1CCCC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063213	1	52	0.0	-73.96	411.18	2.13	-71.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300025063218	0	53	0.0	-72.37	422.08	2.75	-69.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300025063218	1	53	0.0	-64.86	409.36	3.36	-61.50
CC(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025063230	0	49	0.0	-70.17	394.82	1.56	-68.61
CCC(CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025063234	0	57	0.0	-77.36	446.60	3.42	-73.94
C[NH+](C)CC(C)(C)C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063239	0	54	0.0	-59.40	404.16	2.84	-56.56
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[NH+]1CCC(O)CC1	REAL300025063250	0	53	0.0	-75.52	424.39	-0.69	-76.21
C[N@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025063251	0	49	0.0	-68.39	401.07	2.20	-66.19
C[N@@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025063251	1	49	0.0	-68.52	400.85	2.19	-66.33
C[NH+]1CC(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063265	0	49	0.0	-74.43	402.58	1.66	-72.77
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063275	0	55	0.0	-67.55	407.44	2.45	-65.10
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063275	1	55	0.0	-68.03	432.98	2.52	-65.51
C[C@@H](C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025063285	0	48	0.0	-70.98	387.50	1.19	-69.79
[N-]=[N+]=NCC(=O)N1CCCC1CNC(=O)CSC1=NC(=O)NN1	REAL300025063292	0	39	0.0	-25.71	348.06	-3.58	-29.29
[NH2+]=C1SC=CN1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063334	0	45	0.0	-66.73	398.66	0.98	-65.75
C[N@H+](CCO)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063339	0	52	0.0	-73.33	422.03	-1.18	-74.51
C[N@@H+](CCO)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063339	1	52	0.0	-73.47	421.96	-1.18	-74.65
C[C@@H](C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025063340	0	48	0.0	-70.98	387.50	1.19	-69.79
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063343	0	52	0.0	-70.26	400.41	1.92	-68.34
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063343	1	52	0.0	-61.81	407.11	3.19	-58.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[NH+]1CCC1	REAL300025063388	1	46	0.0	-72.49	381.64	1.30	-71.19
C[N@@H+]1CCC(=CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063402	0	50	0.0	-76.59	408.05	2.37	-74.22
C[N@H+]1CCC(=CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063402	1	50	0.0	-76.37	408.82	2.38	-73.99
C[NH+](C)CCOCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063422	0	52	0.0	-72.39	427.01	1.89	-70.50
C=CCC(C)(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025063433	0	55	0.0	-66.95	411.09	3.01	-63.94
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063450	0	53	0.0	-60.81	405.05	-1.47	-62.28
CC1CN(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063467	0	49	0.0	-71.46	403.07	1.90	-69.56
CC1C[NH+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063467	1	49	0.0	-71.46	403.07	1.90	-69.56
CN(CCO)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063484	0	49	0.0	-72.72	399.67	-1.78	-74.50
C[N@H+](CCO)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063484	1	49	0.0	-71.72	399.68	-1.75	-73.47
C[N@@H+](CCO)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063484	1	49	0.0	-71.72	399.68	-1.75	-73.47
CC[N@@H+]1CCCC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063503	0	55	0.0	-64.24	423.81	3.00	-61.24
CC[N@H+]1CCCC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063503	1	55	0.0	-64.24	423.81	3.00	-61.24
CC(CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025063505	0	54	0.0	-75.51	428.32	2.85	-72.66
CC[N@H+](C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063508	0	48	0.0	-71.63	389.08	1.47	-70.16
CC[N@H+](CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025063532	0	52	0.0	-66.96	408.78	3.58	-63.38
CC[NH+](CC)CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063540	0	54	0.0	-73.96	424.68	2.49	-71.47
CC1(C)CN(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063554	0	52	0.0	-72.31	421.72	2.39	-69.92
CC1(C)C[NH+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063554	1	52	0.0	-72.31	421.72	2.39	-69.92
CC1(O)CC[N@H+](CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063570	0	53	0.0	-70.21	427.70	-0.76	-70.97
C[NH+](C)CC=CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063573	0	49	0.0	-76.52	408.35	2.05	-74.47
COCCN(C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063586	0	52	0.0	-71.83	421.46	0.65	-71.18
COCC[N@H+](C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063586	1	52	0.0	-73.04	421.92	0.62	-72.42
COCC[N@@H+](C)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063586	1	52	0.0	-73.04	421.92	0.62	-72.42
C[NH+](C)C1(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025063603	0	55	0.0	-73.68	407.22	3.28	-70.40
CC(CCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025063605	0	54	0.0	-78.82	424.50	2.60	-76.22
CCN1CCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063611	0	49	0.0	-71.26	403.07	1.79	-69.47
CC[N@@H+]1CCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063611	1	49	0.0	-68.98	395.07	1.37	-67.61
CC[N@H+]1CCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063611	1	49	0.0	-68.98	395.07	1.37	-67.61
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[N@H+]1CCCC1CO	REAL300025063621	0	53	0.0	-71.46	424.32	-0.62	-72.08
C[NH+]1CCC(C)(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025063637	0	55	0.0	-62.12	415.57	3.05	-59.07
C=CCC(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025063653	0	52	0.0	-66.07	410.93	2.16	-63.91
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063660	0	55	0.0	-72.00	430.16	2.36	-69.64
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063660	1	55	0.0	-72.00	430.16	2.36	-69.64
C[NH+](C)CCCCCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063662	0	57	0.0	-75.75	457.99	3.77	-71.98
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300025063667	0	50	0.0	-71.83	407.06	2.69	-69.14
CCCC(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025063679	0	54	0.0	-69.93	418.88	2.47	-67.46
C[NH+](C)C(C)(C)C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063682	0	51	0.0	-69.73	386.01	2.43	-67.30
C[N@@H+]1CCCCC1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063705	0	52	0.0	-65.28	400.12	2.83	-62.45
C[N@H+]1CC=C(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025063724	0	53	0.0	-69.09	430.49	3.17	-65.92
C[N@@H+]1CC=C(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025063724	1	53	0.0	-69.09	430.49	3.17	-65.92
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C=CC[NH+]1CCCC1	REAL300025063754	0	53	0.0	-75.52	433.43	3.21	-72.31
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CC[NH+]1CCCC1	REAL300025063781	0	52	0.0	-73.92	418.32	2.44	-71.48
C[N@@H+]1CC2CC1(C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025063806	0	50	0.0	-71.95	394.32	2.72	-69.23
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300025063811	0	53	0.0	-69.32	417.97	2.89	-66.43
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300025063811	1	53	0.0	-69.32	417.97	2.89	-66.43
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CN1CC2C=CC1C2	REAL300025063846	0	51	0.0	-67.04	410.99	2.68	-64.36
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025063846	1	51	0.0	-69.51	410.84	2.77	-66.74
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300025063846	1	51	0.0	-69.51	410.84	2.77	-66.74
CC(C[NH+](C)C)C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063876	0	51	0.0	-59.11	405.02	2.65	-56.46
C[N@@H+]1CCCCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063915	0	55	0.0	-62.80	423.31	2.87	-59.93
C[N@H+]1CCCCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063915	1	55	0.0	-62.80	423.31	2.87	-59.93
CC1CCN1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063926	0	49	0.0	-69.24	397.42	1.61	-67.63
CC1CC[N@@H+]1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063926	1	49	0.0	-70.41	402.65	1.93	-68.48
CC1CC[N@H+]1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063926	1	49	0.0	-70.41	402.65	1.93	-68.48
C[NH+](C)CC(O)CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063928	0	52	0.0	-78.89	423.61	-0.18	-79.07
CC1CN(C)CC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025063945	0	53	0.0	-82.40	414.63	1.98	-80.42
CC1C[N@H+](C)CC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025063945	1	53	0.0	-83.53	414.94	2.15	-81.38
CC1C[N@@H+](C)CC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025063945	1	53	0.0	-83.53	414.94	2.15	-81.38
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025063983	0	52	0.0	-72.66	420.44	2.55	-70.11
CC(CC[NH+](C)C)C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025063987	0	54	0.0	-64.72	425.49	3.26	-61.46
CN1CCN(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025064002	0	54	0.0	-71.35	430.89	0.29	-71.06
C[NH+]1CCN(CC(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025064002	1	54	0.0	-71.35	430.89	0.29	-71.06
C[N@@H+]1CCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064172	0	49	0.0	-69.15	397.46	1.82	-67.33
C[N@H+]1CCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064172	1	49	0.0	-69.77	397.40	1.92	-67.85
C[N@@H+]1CCOC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025064198	1	50	0.0	-72.50	401.60	1.16	-71.34
C[N@H+]1CCOC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025064198	1	50	0.0	-73.34	401.87	1.13	-72.21
O=C(CC[NH+]1CCOCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064346	1	53	0.0	-78.51	426.89	0.85	-77.66
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C12CCC[NH+]1CCC2	REAL300025064354	0	53	0.0	-75.51	415.80	2.86	-72.65
C[N@@H+]1CCC(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025064377	0	52	0.0	-78.76	417.54	2.47	-76.29
C[N@H+]1CCC(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025064377	1	52	0.0	-78.84	418.07	2.44	-76.40
CCC(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025064383	0	51	0.0	-71.09	405.46	2.04	-69.05
C[NH+](C)CCCCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064415	0	54	0.0	-78.26	436.46	3.00	-75.26
CC(C)C(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025064428	0	54	0.0	-73.11	420.96	3.05	-70.06
CCC[N@H+](C)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064429	0	54	0.0	-76.76	433.22	2.81	-73.95
CCC[N@@H+](C)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064429	1	54	0.0	-76.83	433.22	2.80	-74.03
CCC[N@H+](C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064432	0	51	0.0	-73.39	410.85	2.25	-71.14
CCC[N@@H+](C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064432	1	51	0.0	-73.23	410.32	2.29	-70.94
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300025064445	0	53	0.0	-75.71	413.13	2.08	-73.63
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300025064445	1	53	0.0	-76.60	413.58	2.04	-74.56
CC1CC[NH+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025064470	0	55	0.0	-73.82	434.19	3.33	-70.49
C[NH+](C)CC1(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025064507	0	52	0.0	-66.01	402.48	3.40	-62.61
CC[N@H+](C)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064524	0	51	0.0	-76.01	411.72	2.06	-73.95
CC[N@@H+](C)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064524	1	51	0.0	-76.07	411.72	2.06	-74.01
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1C[NH+]2CCC1CC2	REAL300025064536	0	53	0.0	-83.04	412.76	2.68	-80.36
C[NH+]1CCC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025064574	0	52	0.0	-79.34	415.65	2.55	-76.79
CC(C)[C@H](C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025064589	0	54	0.0	-50.88	416.13	4.03	-46.85
C[NH+](C)C1(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025064652	0	52	0.0	-54.81	392.69	4.00	-50.81
CCC(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025064679	0	57	0.0	-66.06	437.79	3.23	-62.83
CC1CCC[N@@H+]1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064688	0	52	0.0	-69.64	417.37	2.53	-67.11
CC1CCC[N@H+]1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064688	1	52	0.0	-70.36	416.48	2.66	-67.70
CC(C)[N@@H+]1CCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064715	0	55	0.0	-68.20	429.58	2.91	-65.29
CC(C)[N@H+]1CCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064715	1	55	0.0	-69.90	424.15	3.10	-66.80
CC(C)[C@@H](C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025064722	0	54	0.0	-69.58	417.21	2.37	-67.21
CC1CC[N@H+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025064732	0	52	0.0	-71.83	417.57	2.53	-69.30
CC1CC[N@@H+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025064732	1	52	0.0	-72.16	416.93	2.53	-69.63
CC1(C)CC[N@H+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025064734	0	55	0.0	-72.34	436.13	3.14	-69.20
CC1(C)CC[N@@H+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025064734	1	55	0.0	-71.91	436.23	3.12	-68.79
C[N@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025064735	0	57	0.0	-74.04	438.55	3.33	-70.71
C[N@@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025064735	1	57	0.0	-73.08	441.58	3.46	-69.62
CC[C@@H](C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025064742	0	51	0.0	-68.79	401.94	1.89	-66.90
CC1=[NH+]C=CN1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064822	1	47	0.0	-70.71	401.06	2.46	-68.25
CC[N@@H+]1CCOC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025064865	1	53	0.0	-86.85	426.78	1.94	-84.91
CC[N@H+]1CCOC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025064865	1	53	0.0	-72.93	419.65	1.77	-71.16
CC1=C[NH+]=CN1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064885	1	47	0.0	-73.68	400.86	3.22	-70.46
C[C@@H]1[C@H](C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025064890	0	52	0.0	-79.84	408.19	1.78	-78.06
C[C@@H]1[C@H](C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025064890	1	52	0.0	-75.96	414.47	2.11	-73.85
CC[C@@H]1[C@@H](C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025064892	0	55	0.0	-75.18	428.51	2.59	-72.59
CC[C@@H]1[C@@H](C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025064892	1	55	0.0	-74.62	432.17	3.11	-71.51
CC1CCC(C)[NH+]1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064897	0	55	0.0	-69.61	428.50	2.73	-66.88
O=C(CCC[NH+]1CCCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064899	0	55	0.0	-75.86	441.45	3.38	-72.48
O=C(CC[NH+]1CCCCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064903	0	55	0.0	-75.30	435.16	3.25	-72.05
CC[N@@H+]1CCCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064906	0	55	0.0	-67.62	430.92	3.14	-64.48
CC[N@H+]1CCCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064906	1	55	0.0	-67.34	431.08	3.08	-64.26
C[N@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025064986	0	52	0.0	-70.73	417.31	2.86	-67.87
C[N@@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025064986	1	52	0.0	-71.31	417.21	2.85	-68.46
C[NH+]1CCC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025065010	0	52	0.0	-79.34	415.65	2.55	-76.79
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065032	0	49	0.0	-74.16	391.85	1.41	-72.75
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065032	1	49	0.0	-70.71	397.94	1.90	-68.81
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065049	1	51	0.0	-71.60	417.91	2.63	-68.97
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065049	1	51	0.0	-71.68	423.51	3.17	-68.51
C[N@@H+]1CCCC1CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065054	0	55	0.0	-78.82	434.91	3.23	-75.59
C[N@H+]1CCCC1CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065054	1	55	0.0	-73.97	433.29	2.89	-71.08
C[N@@H+]1CCCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065117	0	52	0.0	-70.55	404.30	2.29	-68.26
C[N@H+]1CCCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065117	1	52	0.0	-71.53	404.48	2.29	-69.24
CC1C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025065166	0	52	0.0	-74.55	412.79	2.07	-72.48
CC1C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025065166	1	52	0.0	-77.96	409.10	2.16	-75.80
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065216	0	55	0.0	-73.33	415.52	2.48	-70.85
CC(C)(C)[N@H+]1CCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065216	1	55	0.0	-69.33	432.81	2.63	-66.70
C[C@@H](C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025065229	0	48	0.0	-71.17	389.66	1.26	-69.91
C=CCC(C)(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025065241	0	55	0.0	-81.16	426.34	3.19	-77.97
O=C(CC[NH+]1CCCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065253	0	52	0.0	-76.27	418.35	2.45	-73.82
C[N@H+](CCO)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065261	1	49	0.0	-73.78	399.70	-1.73	-75.51
C[N@@H+](CCO)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065261	1	49	0.0	-74.21	399.70	-1.68	-75.89
C[N@H+]1CC=C(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025065307	0	53	0.0	-73.28	430.22	3.22	-70.06
C[N@@H+]1CC=C(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025065307	1	53	0.0	-71.05	430.26	3.20	-67.85
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065325	0	53	0.0	-80.51	420.01	-0.83	-81.34
C[N@H+]1CC(O)CC1(C)C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065325	1	53	0.0	-59.03	410.08	-0.16	-59.19
CC1C[NH+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025065351	1	49	0.0	-74.52	401.21	2.03	-72.49
CC[N@@H+]1CCCC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025065357	0	55	0.0	-73.08	433.81	3.11	-69.97
CC[N@H+]1CCCC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025065357	1	55	0.0	-73.22	433.79	3.13	-70.09
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300025065368	0	53	0.0	-73.00	424.64	2.88	-70.12
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300025065368	1	53	0.0	-67.54	426.55	3.34	-64.20
O=C(C=CC[NH+]1CCCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065389	0	53	0.0	-77.94	432.19	3.11	-74.83
CC[N@H+](C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065426	0	48	0.0	-73.00	388.82	1.55	-71.45
O=C(CN1CC2C=CC1C2)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065455	0	51	0.0	-69.60	410.92	2.72	-66.88
O=C(C[N@@H+]1CC2C=CC1C2)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065455	1	51	0.0	-71.49	410.85	2.84	-68.65
O=C(C[N@H+]1CC2C=CC1C2)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065455	1	51	0.0	-71.49	410.85	2.84	-68.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1C[NH+]2CCN1CC2	REAL300025065499	0	52	0.0	-79.17	408.09	-0.76	-79.93
COCCN(C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065530	0	52	0.0	-74.10	421.95	0.73	-73.37
COCC[N@H+](C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065530	1	52	0.0	-74.02	421.95	0.68	-73.34
COCC[N@@H+](C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065530	1	52	0.0	-74.02	421.95	0.68	-73.34
CC(CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025065533	0	54	0.0	-78.35	424.17	2.60	-75.75
CC[N@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025065546	0	52	0.0	-70.54	416.76	2.89	-67.65
C[N@@H+]1CC2CC1(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025065571	0	50	0.0	-54.83	384.98	3.16	-51.67
O=C(C[N@@H+]1CC2CCC1C2)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065578	0	53	0.0	-70.70	417.75	2.96	-67.74
O=C(C[N@H+]1CC2CCC1C2)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065578	1	53	0.0	-70.70	417.75	2.96	-67.74
CC(C[NH+](C)C)C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065591	0	51	0.0	-66.52	409.43	2.28	-64.24
CCN1CCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065619	0	49	0.0	-70.77	395.05	1.74	-69.03
CC[N@@H+]1CCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065619	1	49	0.0	-73.00	402.73	1.90	-71.10
CC[N@H+]1CCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065619	1	49	0.0	-73.00	402.73	1.90	-71.10
CCC(C)(C)[NH2+]C(C)C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065625	0	57	0.0	-71.64	437.05	1.46	-70.18
CCCC(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025065655	0	54	0.0	-73.99	426.69	2.80	-71.19
C[NH+](C)C(C)(C)C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065659	0	51	0.0	-79.63	399.07	2.02	-77.61
CC(CC[NH+](C)C)C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065672	0	54	0.0	-76.13	431.65	2.74	-73.39
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065720	0	55	0.0	-70.40	431.89	2.47	-67.93
C[NH+](C)CCCCCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065722	0	57	0.0	-77.67	457.96	3.78	-73.89
CN1CCN(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025065729	0	54	0.0	-74.11	430.65	0.35	-73.76
C[NH+]1CCN(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025065729	1	54	0.0	-74.11	430.65	0.35	-73.76
CC1CN(C)CC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025065770	0	53	0.0	-81.70	422.78	1.90	-79.80
CC1C[N@H+](C)CC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025065770	1	53	0.0	-88.65	429.95	2.06	-86.59
CC1C[N@@H+](C)CC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025065770	1	53	0.0	-88.65	429.95	2.06	-86.59
C[N@@H+]1CCCCC1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065814	0	52	0.0	-71.53	404.48	2.29	-69.24
C[N@@H+]1CCC(=CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025065872	0	50	0.0	-78.19	410.44	2.38	-75.81
C[N@H+]1CCC(=CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025065872	1	50	0.0	-78.19	410.44	2.38	-75.81
O=C(CNC1=CC=[NH+]C=C1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065874	0	48	0.0	-75.26	407.34	0.11	-75.15
C[NH+](C)C1(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025065924	0	55	0.0	-57.83	409.31	4.25	-53.58
CCC1CN(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025065931	0	52	0.0	-74.54	423.95	2.68	-71.86
CCC1C[NH+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025065931	1	52	0.0	-74.54	423.95	2.68	-71.86
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065940	0	49	0.0	-74.19	391.19	1.42	-72.77
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025066018	0	52	0.0	-77.01	421.12	2.57	-74.44
C[NH+](C)CCC1(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025066026	0	55	0.0	-65.00	430.35	5.13	-59.87
C[N@@H+]1CC=CCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066027	0	53	0.0	-64.66	417.51	2.87	-61.79
C[N@H+]1CC=CCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066027	1	53	0.0	-64.66	417.51	2.87	-61.79
C[NH+](C)CCOCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066055	0	52	0.0	-75.52	427.50	1.90	-73.62
[NH2+]=C1SC=CN1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066079	0	45	0.0	-70.46	398.70	1.02	-69.44
O=C(C[NH+]1CCCCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066134	0	52	0.0	-73.10	413.35	2.71	-70.39
C[N@@H+]1CCCC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025066135	0	52	0.0	-74.85	415.63	2.50	-72.35
C[N@H+]1CCCC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025066135	1	52	0.0	-65.65	409.68	2.71	-62.94
O=C(C[NH+]1CCCCCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066136	0	55	0.0	-72.03	422.17	2.93	-69.10
CN1C=C[N+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025066139	0	47	0.0	-70.77	402.33	4.39	-66.38
O=C(C[NH+]1CCC(O)CC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066158	1	53	0.0	-77.56	425.13	-0.61	-78.17
C[N@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025066159	0	49	0.0	-71.00	401.03	2.25	-68.75
C[N@@H+](CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025066159	1	49	0.0	-70.69	401.03	2.25	-68.44
CCOCC(N=[N+]=[N-])C(=O)NCC1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025066174	0	49	0.0	-24.61	424.81	-2.87	-27.48
CC(CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025066177	0	54	0.0	-77.47	428.29	2.87	-74.60
C[N@@H+]1CCOCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066194	1	53	0.0	-81.31	421.95	0.71	-80.60
C[N@H+]1CCOCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066194	1	53	0.0	-81.04	422.03	0.67	-80.37
CC1(O)CC[N@H+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025066255	0	53	0.0	-73.31	427.48	-0.72	-74.03
CC1(O)CC[N@@H+](CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025066255	1	53	0.0	-74.01	427.80	-0.75	-74.76
C[NH+]1CC(CC(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025066276	0	49	0.0	-74.81	403.07	1.67	-73.14
C[NH+](C)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066285	0	45	0.0	-73.77	371.62	0.84	-72.93
C[N@H+](CCO)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066299	0	52	0.0	-75.38	421.54	-1.13	-76.51
C[N@@H+](CCO)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066299	1	52	0.0	-75.02	421.92	-1.15	-76.17
C[C@@H](C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025066300	0	48	0.0	-71.17	389.66	1.26	-69.91
C[N@@H+]1CCCCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066314	0	55	0.0	-64.12	423.06	2.92	-61.20
C[N@H+]1CCCCC1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066314	1	55	0.0	-67.54	423.30	2.90	-64.64
CC(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025066324	1	52	0.0	-70.60	420.82	2.53	-68.07
CC1CC[N@@H+]1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066326	1	49	0.0	-71.25	397.59	1.68	-69.57
CC1CC[N@H+]1CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066326	1	49	0.0	-71.61	402.66	1.95	-69.66
C[NH+](C)CC=CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066332	0	49	0.0	-79.22	408.86	2.09	-77.13
O=C(C[N@H+]1CCCC1CO)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066371	0	53	0.0	-71.73	420.94	-1.06	-72.79
O=C(C[N@@H+]1CCCC1CO)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066371	1	53	0.0	-71.70	420.97	-1.07	-72.77
CC[NH+](CC)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066373	0	51	0.0	-71.71	402.20	1.98	-69.73
O=C(C[NH+]1CCC1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066382	1	46	0.0	-74.05	381.73	1.27	-72.78
CC[NH+](CC)CCC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066410	0	54	0.0	-74.74	429.78	2.79	-71.95
CC(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025066460	1	49	0.0	-70.76	399.32	1.91	-68.85
CCC(CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025066465	0	57	0.0	-77.66	443.34	3.34	-74.32
C[NH+](C)CC(C)(C)C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066470	0	54	0.0	-67.51	418.62	2.54	-64.97
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066499	0	52	0.0	-71.52	403.91	2.32	-69.20
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066499	1	52	0.0	-70.46	413.15	2.45	-68.01
C[NH+](C)CC(O)CC(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025066518	0	52	0.0	-80.80	423.57	-0.09	-80.89
C=CCC(C(=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025066538	0	52	0.0	-68.04	414.94	2.31	-65.73
C[NH+]1CCC(C)(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025066549	0	55	0.0	-70.12	428.88	2.92	-67.20
NC(=[NH2+])SCC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025066570	0	43	0.0	-75.74	379.05	-2.18	-77.92
C[NH+](C)CCC1(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025066593	0	55	0.0	-73.35	439.60	4.00	-69.35
C[N@@H+]1CC=CCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025066594	0	53	0.0	-77.12	422.53	2.92	-74.20
C[N@H+]1CC=CCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025066594	1	53	0.0	-66.62	417.53	2.84	-63.78
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025066680	0	49	0.0	-69.31	390.41	1.32	-67.99
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025066680	1	49	0.0	-69.31	390.41	1.32	-67.99
CC1C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025066702	0	52	0.0	-70.63	414.13	2.19	-68.44
CC1C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025066702	1	52	0.0	-70.63	414.13	2.19	-68.44
CN1CCOCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025066730	0	53	0.0	-66.40	414.47	0.51	-65.89
C[N@@H+]1CCOCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025066730	1	53	0.0	-66.47	414.20	0.52	-65.95
C[N@H+]1CCOCC1CC(=O)N1CCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025066730	1	53	0.0	-66.47	414.20	0.52	-65.95
C[N@@H+]1CCCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025066943	0	52	0.0	-67.89	402.86	2.85	-65.04
CC1=NC=CN1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067103	0	50	0.0	-67.22	406.53	3.40	-63.82
CC1=[NH+]C=CN1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067103	1	50	0.0	-67.22	406.53	3.40	-63.82
C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025067119	0	55	0.0	-71.79	414.73	2.93	-68.86
C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025067119	1	55	0.0	-71.79	414.73	2.93	-68.86
C[N@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025067142	0	55	0.0	-70.06	423.30	3.76	-66.30
C[N@@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025067142	1	55	0.0	-70.06	423.30	3.76	-66.30
C[NH+]1CCC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025067165	0	55	0.0	-73.36	421.65	3.44	-69.92
CC1=C[NH+]=CN1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067180	1	50	0.0	-70.53	406.86	4.12	-66.41
C[N@@H+]1CCC(CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067187	0	55	0.0	-71.83	423.52	3.40	-68.43
C[N@H+]1CCC(CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067187	1	55	0.0	-71.70	423.38	3.38	-68.32
CCC(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025067190	0	54	0.0	-70.14	409.73	2.94	-67.20
C[NH+](C)CCCCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067201	0	57	0.0	-73.03	442.46	3.93	-69.10
CCC[N@H+](C)CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067204	0	57	0.0	-72.77	438.72	3.76	-69.01
CCC[N@@H+](C)CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067204	1	57	0.0	-72.82	438.66	3.74	-69.08
CCC[N@H+](C)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067205	0	54	0.0	-71.76	416.35	3.20	-68.56
CCC[N@@H+](C)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067205	1	54	0.0	-71.82	416.34	3.19	-68.63
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067217	0	52	0.0	-69.67	394.16	2.24	-67.43
C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067217	1	52	0.0	-67.96	403.47	2.85	-65.11
CC[NH+](CC)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067225	0	54	0.0	-70.61	408.68	2.87	-67.74
C[NH+](C)CC1(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025067270	0	55	0.0	-71.44	429.68	3.56	-67.88
C[NH+]1CCC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025067284	0	55	0.0	-73.36	421.65	3.44	-69.92
CC[N@H+](C)CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067309	0	54	0.0	-72.07	417.16	2.98	-69.09
CC[N@@H+](C)CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067309	1	54	0.0	-72.04	417.16	2.98	-69.06
CC1CCC[N@@H+]1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067317	0	55	0.0	-68.53	415.78	3.18	-65.35
CC1CCC[N@H+]1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067317	1	55	0.0	-69.09	422.25	3.57	-65.52
CC1CC[N@H+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067318	0	55	0.0	-71.00	423.16	3.54	-67.46
CC1CC[N@@H+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067318	1	55	0.0	-71.10	422.67	3.52	-67.58
CC[C@@H](C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025067320	0	54	0.0	-68.07	407.36	2.81	-65.26
C[NH+](C)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067348	0	48	0.0	-72.72	377.10	1.78	-70.94
CN1C=C[N+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300025067349	0	50	0.0	-69.39	408.34	5.30	-64.09
C[N@@H+]1CCCC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067352	0	55	0.0	-64.85	411.31	3.48	-61.37
C[N@H+]1CCCC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067352	1	55	0.0	-71.09	421.71	3.39	-67.70
CC(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025067358	1	52	0.0	-68.97	405.29	2.86	-66.11
C[N@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025067367	0	52	0.0	-69.64	406.36	3.19	-66.45
C[N@@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025067367	1	52	0.0	-69.44	406.46	3.18	-66.26
C[NH+]1CC(CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067376	0	52	0.0	-70.70	408.57	2.62	-68.08
C[C@@H](C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025067388	0	51	0.0	-69.49	395.22	2.19	-67.30
CC1(NC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025067395	0	42	0.0	-23.87	354.06	-2.62	-26.49
C[C@@H](C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025067421	0	51	0.0	-69.49	395.22	2.19	-67.30
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067424	0	55	0.0	-68.48	409.78	3.19	-65.29
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067424	1	55	0.0	-68.87	419.08	3.39	-65.48
CC1(NC(=O)C[NH+]2CCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067448	1	49	0.0	-71.60	387.40	2.27	-69.33
C[N@@H+]1CCC(=CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067455	0	53	0.0	-72.82	415.92	3.34	-69.48
C[N@H+]1CCC(=CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067455	1	53	0.0	-72.74	414.98	3.38	-69.36
C[C@H](C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025067470	0	51	0.0	-69.49	395.23	2.21	-67.28
CC1C[NH+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067485	1	52	0.0	-72.04	407.14	2.94	-69.10
C[N@H+](CCO)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067497	1	52	0.0	-72.33	405.14	-0.80	-73.13
C[N@@H+](CCO)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067497	1	52	0.0	-71.63	404.98	-0.79	-72.42
CC(CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025067507	0	57	0.0	-72.77	434.29	3.79	-68.98
CC[N@H+](C)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067509	0	51	0.0	-71.34	394.85	2.46	-68.88
CC[N@@H+](C)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067509	1	51	0.0	-71.39	394.79	2.44	-68.95
CC[N@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025067518	0	55	0.0	-68.29	425.72	3.82	-64.47
CC[N@@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025067518	1	55	0.0	-68.91	423.50	3.77	-65.14
CC[NH+](CC)CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067523	0	57	0.0	-72.07	435.05	3.71	-68.36
CC1(C)C[NH+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067531	1	55	0.0	-71.72	427.52	3.37	-68.35
C[NH+](C)CC=CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067536	0	52	0.0	-73.35	414.33	3.05	-70.30
CC(CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025067549	0	57	0.0	-74.20	430.74	3.51	-70.69
CC[N@@H+]1CCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067553	1	52	0.0	-69.35	400.40	2.34	-67.01
CC[N@H+]1CCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067553	1	52	0.0	-69.03	401.68	2.44	-66.59
C=CCC(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025067571	0	55	0.0	-70.57	423.70	3.45	-67.12
CC1(NC(=O)C[NH+]2CC3CC3C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067578	0	53	0.0	-71.73	412.44	3.68	-68.05
CCCC(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025067582	0	57	0.0	-71.13	431.24	3.70	-67.43
C[N@@H+]1CCCCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067592	0	55	0.0	-68.60	409.73	3.22	-65.38
C[N@H+]1CCCCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067592	1	55	0.0	-68.54	409.77	3.21	-65.33
CC1(NC(=O)CC[NH+]2CCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067624	0	55	0.0	-71.73	425.39	3.51	-68.22
CC(C[NH+](C)C)C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067658	0	54	0.0	-71.40	415.53	3.06	-68.34
CC(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300025067677	1	55	0.0	-68.83	425.09	3.52	-65.31
CC1CC[N@@H+]1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067678	1	52	0.0	-69.35	402.91	2.61	-66.74
CC1CC[N@H+]1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067678	1	52	0.0	-69.17	403.49	2.67	-66.50
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067705	0	55	0.0	-71.70	426.65	3.53	-68.17
CC(CC[NH+](C)C)C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067706	0	57	0.0	-70.83	437.16	3.68	-67.15
C[N@@H+]1CCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067871	0	52	0.0	-64.72	395.86	2.20	-62.52
C[N@H+]1CCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067871	1	52	0.0	-66.11	395.79	2.21	-63.90
C[N@@H+]1CCOC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067897	1	53	0.0	-76.69	403.13	1.78	-74.91
C[N@H+]1CCOC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025067897	1	53	0.0	-66.66	403.05	1.77	-64.89
C[N@@H+]1CCC(CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068047	0	55	0.0	-69.57	424.11	3.33	-66.24
C[N@H+]1CCC(CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068047	1	55	0.0	-69.39	423.50	3.36	-66.03
CCC(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025068050	0	54	0.0	-64.59	405.28	2.65	-61.94
C[NH+](C)CCCCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068060	0	57	0.0	-69.76	442.46	3.88	-65.88
CC(C)C(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025068063	0	57	0.0	-74.66	419.90	3.24	-71.42
CCC[N@H+](C)CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068064	0	57	0.0	-69.10	438.70	3.69	-65.41
CCC[N@@H+](C)CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068064	1	57	0.0	-78.67	438.69	3.70	-74.97
CCC[N@H+](C)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068065	0	54	0.0	-75.63	416.32	3.10	-72.53
CCC[N@@H+](C)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068065	1	54	0.0	-66.80	416.35	3.11	-63.69
C[NH+](C)CC1(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025068104	0	55	0.0	-69.64	411.71	3.23	-66.41
CC[N@H+](C)CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068110	0	54	0.0	-68.38	417.22	2.97	-65.41
CC[N@@H+](C)CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068110	1	54	0.0	-68.40	417.19	2.93	-65.47
C[NH+]1CCC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025068132	0	55	0.0	-69.61	421.02	3.26	-66.35
CC(C)[C@H](C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025068147	0	57	0.0	-64.16	416.82	3.10	-61.06
C[NH+](C)C1(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300025068169	0	55	0.0	-66.90	401.99	2.55	-64.35
CC1CCC[N@@H+]1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068193	0	55	0.0	-63.51	415.80	3.08	-60.43
CC1CCC[N@H+]1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068193	1	55	0.0	-63.82	422.02	3.38	-60.44
CC(C)[C@@H](C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025068204	0	57	0.0	-65.45	419.57	3.34	-62.11
CC1CC[N@H+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068212	0	55	0.0	-65.72	422.48	3.38	-62.34
CC1CC[N@@H+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068212	1	55	0.0	-65.88	422.50	3.45	-62.43
CC[C@@H](C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025068214	0	54	0.0	-65.32	406.72	2.66	-62.66
CC1=[NH+]C=CN1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068251	1	50	0.0	-63.72	406.49	3.28	-60.44
CC1=C[NH+]=CN1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068269	1	50	0.0	-74.06	406.85	4.03	-70.03
C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025068270	0	55	0.0	-69.17	410.54	2.95	-66.22
C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025068270	1	55	0.0	-69.03	418.40	2.89	-66.14
C[N@H+](CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025068300	0	55	0.0	-64.97	423.25	3.68	-61.29
C[N@@H+](CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025068300	1	55	0.0	-73.38	423.33	3.67	-69.71
C[NH+]1CCC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025068306	0	55	0.0	-69.61	421.02	3.26	-66.35
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068319	0	52	0.0	-64.90	396.02	2.20	-62.70
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068319	1	52	0.0	-64.14	398.56	2.48	-61.66
C[N@@H+]1CCCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068362	0	55	0.0	-64.50	409.73	2.92	-61.58
C[N@H+]1CCCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068362	1	55	0.0	-64.89	406.52	2.81	-62.08
CC1C(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025068391	0	55	0.0	-65.46	419.57	3.02	-62.44
CC1C(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025068391	1	55	0.0	-70.65	412.28	2.72	-67.93
C[C@@H](C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025068432	0	51	0.0	-64.86	393.75	2.09	-62.77
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300025068450	0	55	0.0	-67.94	425.44	3.45	-64.49
C[N@H+](CCO)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068455	1	52	0.0	-67.06	405.20	-0.87	-67.93
C[N@@H+](CCO)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068455	1	52	0.0	-76.28	404.96	-0.88	-77.16
CC1C[NH+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068498	1	52	0.0	-66.75	408.41	2.79	-63.96
CC[N@H+](C)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068530	0	51	0.0	-75.33	394.82	2.36	-72.97
CC[N@@H+](C)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068530	1	51	0.0	-66.48	394.85	2.37	-64.11
CC(CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025068583	0	57	0.0	-67.88	434.39	3.47	-64.41
CC[N@H+](CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025068588	0	55	0.0	-62.99	420.59	3.58	-59.41
CC[N@@H+](CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025068588	1	55	0.0	-72.69	423.49	3.71	-68.98
C[N@@H+]1CC2CC1(C(=O)N1CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025068601	0	53	0.0	-76.40	404.47	2.79	-73.61
C[N@H+]1CC2CC1(C(=O)N1CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025068601	1	53	0.0	-65.65	404.15	2.61	-63.04
CC(C[NH+](C)C)C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068610	0	54	0.0	-67.91	413.57	2.77	-65.14
C[NH+](C)C1(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025068616	0	52	0.0	-65.52	399.34	2.44	-63.08
C[C@H](C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025068626	0	51	0.0	-64.64	393.45	2.04	-62.60
CC[N@@H+]1CCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068629	0	52	0.0	-64.22	401.10	2.39	-61.83
CC[N@H+]1CCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068629	1	52	0.0	-65.52	408.23	2.66	-62.86
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=C[NH+]=CC=C2N)CC1	REAL300025068640	0	48	0.0	-65.31	389.23	-0.34	-65.65
CCCC(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025068644	0	57	0.0	-64.89	428.05	3.48	-61.41
C[NH+](C)C(C)(C)C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068647	0	54	0.0	-76.25	397.44	2.16	-74.09
CC(CC[NH+](C)C)C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068656	0	57	0.0	-68.55	436.31	3.43	-65.12
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300025068715	0	53	0.0	-75.76	412.56	3.58	-72.18
C[N@@H+]1CCCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068723	0	55	0.0	-64.50	409.73	2.92	-61.58
C[N@H+]1CCCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068723	1	55	0.0	-64.89	406.52	2.81	-62.08
C[N@@H+]1CCC(=CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068748	0	53	0.0	-71.12	414.91	3.23	-67.89
C[N@H+]1CCC(=CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068748	1	53	0.0	-71.23	414.91	3.26	-67.97
CC1(NC(=O)CSC2=NC(=O)NN2)CCN(C(=O)CN=[N+]=[N-])CC1	REAL300025068755	0	42	0.0	-25.45	354.06	-2.72	-28.17
CCC1C[NH+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068771	0	55	0.0	-67.47	429.75	3.54	-63.93
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068776	0	52	0.0	-72.34	399.00	2.54	-69.80
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068776	1	52	0.0	-73.53	395.56	2.23	-71.30
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068816	0	55	0.0	-69.33	426.16	3.43	-65.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300025068857	0	55	0.0	-65.96	418.86	3.56	-62.40
C[N@@H+]1CCCC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068858	0	55	0.0	-67.53	421.54	3.24	-64.29
C[N@H+]1CCCC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068858	1	55	0.0	-66.26	413.24	3.37	-62.89
CN1C=C[N+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300025068859	0	50	0.0	-72.66	408.33	5.20	-67.46
C[N@H+](CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025068869	0	52	0.0	-64.01	406.38	3.08	-60.93
C[N@@H+](CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025068869	1	52	0.0	-64.63	406.52	3.09	-61.54
CC(CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025068877	0	57	0.0	-77.59	434.29	3.74	-73.85
C[NH+]1CC(CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068926	0	52	0.0	-77.44	408.38	2.56	-74.88
C[NH+](C)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068933	0	48	0.0	-76.12	377.11	1.69	-74.43
C[C@@H](C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025068941	0	51	0.0	-64.86	393.75	2.09	-62.77
CC(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300025068955	0	55	0.0	-63.71	426.11	3.20	-60.51
CC1CC[N@@H+]1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068956	0	52	0.0	-65.78	408.43	2.77	-63.01
CC1CC[N@H+]1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068956	1	52	0.0	-64.74	403.38	2.57	-62.17
C[NH+](C)CC=CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068958	0	52	0.0	-71.37	411.99	2.91	-68.46
CC1(C)C[NH+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025068962	1	55	0.0	-66.53	427.47	3.26	-63.27
CC[NH+](CC)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068975	0	54	0.0	-65.00	408.69	2.77	-62.23
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025068980	1	49	0.0	-66.96	387.19	2.11	-64.85
CC[NH+](CC)CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025068998	0	57	0.0	-67.78	430.70	3.39	-64.39
CC(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025069026	0	52	0.0	-73.83	405.08	2.58	-71.25
C[NH+](C)CC(C)(C)C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069030	0	57	0.0	-63.03	415.92	2.93	-60.10
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069050	0	55	0.0	-65.30	406.47	2.73	-62.57
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069050	1	55	0.0	-64.32	416.41	3.22	-61.10
C=CCC(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025069069	0	55	0.0	-70.32	418.39	3.07	-67.25
CC1(NC(=O)CSC(N)=[NH2+])CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069092	0	46	0.0	-73.32	385.63	-1.34	-74.66
C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069142	0	52	0.0	-68.28	403.15	2.84	-65.44
C[N@H+]1CCC[C@H]1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069142	1	52	0.0	-71.12	397.08	2.35	-68.77
CC1(NC(=O)C[NH+]2CCCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069149	0	55	0.0	-71.29	418.84	3.65	-67.64
CC1C(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025069152	0	55	0.0	-69.42	413.61	2.95	-66.47
CC1C(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025069152	1	55	0.0	-70.96	422.97	3.36	-67.60
C#CCN(C(=O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069315	0	50	0.0	-72.01	406.07	3.99	-68.02
C#CCN(C(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069321	0	53	0.0	-71.10	418.09	4.16	-66.94
C#CCN(C(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025069324	0	44	0.0	-24.15	383.10	-0.18	-24.33
C#CCN(C(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069331	0	53	0.0	-71.10	418.09	4.16	-66.94
C#CCN(C(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069338	1	51	0.0	-72.03	416.28	4.42	-67.61
C#CCN(C(=O)[C@@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069343	0	53	0.0	-70.24	418.93	4.20	-66.04
C#CCN(C(=O)C[N@@H+](C)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069352	0	53	0.0	-71.28	423.88	4.69	-66.59
C#CCN(C(=O)C[N@H+](C)CC)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069352	1	53	0.0	-71.13	423.84	4.69	-66.44
C#CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300025069492	0	53	0.0	-69.48	422.82	4.59	-64.89
C#CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CC)CC1	REAL300025069511	0	53	0.0	-70.01	423.80	4.86	-65.15
C#CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CC)CC1	REAL300025069511	1	53	0.0	-69.86	423.80	4.87	-64.99
C#CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1	REAL300025069524	0	53	0.0	-66.29	422.00	4.57	-61.72
C#CCN(C(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])CC1	REAL300025069549	0	44	0.0	-23.25	383.08	-0.42	-23.67
C#CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)CC1	REAL300025069581	0	50	0.0	-69.14	406.18	4.19	-64.95
C#CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300025069584	0	53	0.0	-69.48	422.82	4.59	-64.89
C#CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025069591	1	51	0.0	-68.63	416.24	4.62	-64.01
C[N@@H+]1CCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025069734	0	55	0.0	-67.46	424.69	2.15	-65.31
C[N@H+]1CCCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025069734	1	55	0.0	-65.19	438.34	2.45	-62.74
CCC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)[NH+](C)C	REAL300025069834	0	57	0.0	-66.90	438.79	2.37	-64.53
CCC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025069839	0	57	0.0	-68.98	447.84	3.08	-65.90
CCC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025069839	1	57	0.0	-68.27	447.33	3.10	-65.17
C[N@@H+]1CCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025069847	0	55	0.0	-66.06	426.52	2.24	-63.82
C[N@H+]1CCC[C@@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025069847	1	55	0.0	-65.74	433.25	2.46	-63.28
CC[NH+](CC)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025069852	0	57	0.0	-67.78	439.23	2.47	-65.31
CC[N@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025069908	0	57	0.0	-68.63	448.46	2.99	-65.64
CC[N@@H+](C)CCC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025069908	1	57	0.0	-69.32	451.95	2.68	-66.64
CC[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)[NH+](C)C	REAL300025069911	0	57	0.0	-64.88	438.92	2.78	-62.10
C[NH+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025069929	0	51	0.0	-69.77	407.95	1.38	-68.39
CC(C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)[NH+]1CCC1	REAL300025069933	1	55	0.0	-66.51	436.81	2.33	-64.18
C[N@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)C1CC1	REAL300025069939	0	55	0.0	-65.93	437.63	3.18	-62.75
C[N@@H+](CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)C1CC1	REAL300025069939	1	55	0.0	-66.53	437.34	2.77	-63.76
C[NH+]1CC(CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CCCC2)C1	REAL300025069945	0	55	0.0	-68.97	444.95	2.35	-66.62
C[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)[NH+](C)C	REAL300025069952	0	54	0.0	-67.07	426.22	1.68	-65.39
[N-]=[N+]=NCC(=O)NC(CNC(=O)CSC1=NC(=O)NN1)C1CCCC1	REAL300025069955	0	45	0.0	-22.50	385.33	-2.63	-25.13
C[C@@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)[NH+](C)C	REAL300025069973	0	54	0.0	-67.07	426.22	1.68	-65.39
C[C@H](C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)[NH+](C)C	REAL300025070002	0	54	0.0	-68.20	426.61	1.66	-66.54
CC1C[NH+](CC(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CCCC2)C1	REAL300025070008	1	55	0.0	-68.37	439.63	2.88	-65.49
CC[N@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070025	0	54	0.0	-69.28	426.15	1.91	-67.37
CC[N@@H+](C)CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070025	1	54	0.0	-67.78	425.83	2.33	-65.45
C[NH+](C)CC=CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070041	0	55	0.0	-72.11	443.91	2.59	-69.52
CC[N@@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070047	1	55	0.0	-68.08	440.10	2.24	-65.84
CC[N@H+]1CCC1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070047	1	55	0.0	-66.89	433.50	2.38	-64.51
C[NH+](C)C(C)(C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070060	0	57	0.0	-69.23	433.74	2.56	-66.67
C[NH+](C)C1(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CCCC2)CC1	REAL300025070082	0	55	0.0	-70.51	431.49	3.00	-67.51
CC(C[NH+](C)C)C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070104	0	57	0.0	-69.55	446.10	2.63	-66.92
CC1CC[N@@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070113	1	55	0.0	-65.53	433.89	2.51	-63.02
CC1CC[N@H+]1CC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070113	1	55	0.0	-67.85	439.68	2.33	-65.52
C[N@@H+]1CCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070222	0	55	0.0	-65.24	434.32	2.25	-62.99
C[N@H+]1CCCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070222	1	55	0.0	-66.96	428.42	1.74	-65.22
CCC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)[NH+](C)C	REAL300025070293	0	57	0.0	-61.32	438.00	2.76	-58.56
CCC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070297	0	57	0.0	-63.17	451.08	2.87	-60.30
CCC[N@@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070297	1	57	0.0	-67.42	447.18	2.79	-64.63
CC[N@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070314	0	57	0.0	-64.07	448.46	2.99	-61.08
CC[N@@H+](C)CCC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070314	1	57	0.0	-64.13	448.46	2.99	-61.14
CC[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)[NH+](C)C	REAL300025070354	0	57	0.0	-65.56	440.90	2.53	-63.03
C[N@@H+]1CCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070400	0	55	0.0	-66.28	427.79	1.80	-64.48
C[N@H+]1CCC[C@@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070400	1	55	0.0	-60.49	433.69	2.75	-57.74
C[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)[NH+](C)C	REAL300025070454	0	54	0.0	-65.83	425.54	1.82	-64.01
CC1C[NH+](CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CCCC2)C1	REAL300025070478	1	55	0.0	-60.83	439.37	2.77	-58.06
CC[N@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070496	0	54	0.0	-62.72	429.58	2.13	-60.59
CC[N@@H+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070496	1	54	0.0	-66.95	425.68	2.04	-64.91
CC(C[NH+](C)C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070526	0	57	0.0	-64.17	446.77	3.03	-61.14
C[NH+](C)C1(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CCCC2)CC1	REAL300025070529	0	55	0.0	-67.54	430.06	2.82	-64.72
C[C@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)[NH+](C)C	REAL300025070533	0	54	0.0	-65.89	425.93	1.77	-64.12
CC[N@@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070536	1	55	0.0	-66.67	440.04	2.22	-64.45
CC[N@H+]1CCC1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070536	1	55	0.0	-59.75	443.47	2.55	-57.20
C[NH+](C)C(C)(C)C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070544	0	57	0.0	-60.44	435.46	2.96	-57.48
[N-]=[N+]=NCC(=O)NCC(NC(=O)CSC1=NC(=O)NN1)C1CCCC1	REAL300025070590	0	45	0.0	-22.17	385.33	-2.63	-24.80
C[N@@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070603	0	55	0.0	-64.37	434.20	2.32	-62.05
C[N@H+]1CCC[C@H]1C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070603	1	55	0.0	-66.91	427.85	1.95	-64.96
C[N@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)C1CC1	REAL300025070640	0	55	0.0	-60.79	437.63	3.18	-57.61
C[N@@H+](CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)C1CC1	REAL300025070640	1	55	0.0	-64.84	437.22	2.78	-62.06
C[NH+]1CC(CC(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CCCC2)C1	REAL300025070668	0	55	0.0	-64.73	439.81	2.60	-62.13
C[NH+](C)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070671	0	51	0.0	-63.65	408.36	1.77	-61.88
C[C@@H](C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)[NH+](C)C	REAL300025070674	0	54	0.0	-65.83	425.54	1.82	-64.01
CC1CC[N@@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070681	1	55	0.0	-65.67	439.22	2.49	-63.18
CC1CC[N@H+]1CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070681	1	55	0.0	-66.73	439.70	2.32	-64.41
C[NH+](C)CC=CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070682	0	55	0.0	-67.14	445.59	3.02	-64.12
CC[NH+](CC)CC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070688	0	57	0.0	-61.37	439.87	2.85	-58.52
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C[NH+]1CCC1)C1CCCC1	REAL300025070689	1	52	0.0	-63.14	421.95	1.89	-61.25
CC(C(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1)[NH+]1CCC1	REAL300025070711	1	55	0.0	-65.63	436.32	2.40	-63.23
C[N@@H+]1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070779	0	55	0.0	-65.02	438.20	2.51	-62.51
C[N@H+]1CCC[C@H]1C(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300025070779	1	55	0.0	-67.77	418.58	3.09	-64.68
C[N@@H+]1CCCC1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025070906	0	53	0.0	-61.22	399.46	3.55	-57.67
C[N@H+]1CCCC1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025070906	1	53	0.0	-76.41	397.52	3.26	-73.15
CCC(C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025071009	0	55	0.0	-65.96	406.08	3.66	-62.30
CCC[N@H+](C)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071014	0	55	0.0	-71.29	417.41	4.21	-67.08
CCC[N@@H+](C)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071014	1	55	0.0	-71.08	417.40	4.21	-66.87
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071022	0	53	0.0	-69.86	393.80	4.19	-65.67
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071022	1	53	0.0	-56.12	403.50	3.74	-52.38
CC[NH+](CC)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071027	0	55	0.0	-69.40	414.42	4.13	-65.27
CC[N@H+](C)CCC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071085	0	55	0.0	-74.57	418.28	4.05	-70.52
CC[N@@H+](C)CCC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071085	1	55	0.0	-75.11	418.37	4.06	-71.05
CC[C@@H](C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025071088	0	55	0.0	-74.57	405.11	3.79	-70.78
C[NH+](C)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071106	0	49	0.0	-71.53	378.18	2.80	-68.73
CC(C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025071110	1	53	0.0	-68.54	395.79	4.35	-64.19
C[N@H+](CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025071117	0	53	0.0	-68.42	407.45	4.21	-64.21
C[N@@H+](CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025071117	1	53	0.0	-68.36	407.57	4.21	-64.15
C[NH+]1CC(CC(=O)N2CCC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025071123	0	53	0.0	-76.15	409.56	3.65	-72.50
C[C@@H](C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025071130	0	52	0.0	-71.20	387.04	3.92	-67.28
[N-]=[N+]=NCC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NC(=O)NN1	REAL300025071133	0	43	0.0	-25.28	355.14	-1.60	-26.88
C[C@@H](C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025071152	0	52	0.0	-71.20	387.04	3.92	-67.28
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C[NH+]1CCC1)CC2	REAL300025071170	1	50	0.0	-72.78	388.50	3.27	-69.51
C[C@H](C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025071181	0	52	0.0	-56.76	394.69	3.16	-53.60
CC1C[NH+](CC(=O)N2CCC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025071188	1	53	0.0	-73.43	406.66	4.76	-68.67
C[N@H+](CCO)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071199	1	53	0.0	-71.16	406.25	0.23	-70.93
C[N@@H+](CCO)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071199	1	53	0.0	-72.93	406.04	0.23	-72.70
CC[N@H+](C)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071206	0	52	0.0	-71.01	395.91	3.46	-67.55
CC[N@@H+](C)CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071206	1	52	0.0	-71.57	395.96	3.44	-68.13
C[NH+](C)CC=CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071224	0	53	0.0	-80.63	414.62	4.06	-76.57
CC[N@@H+]1CCC1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071230	1	53	0.0	-69.46	402.41	3.46	-66.00
CC[N@H+]1CCC1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071230	1	53	0.0	-68.39	401.45	3.42	-64.97
C[NH+](C)C(C)(C)C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071244	0	55	0.0	-73.48	390.43	3.15	-70.33
C[NH+](C)C1(C(=O)N2CCC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025071267	0	53	0.0	-71.42	393.37	4.33	-67.09
CC(C[NH+](C)C)C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071289	0	55	0.0	-59.97	417.46	3.97	-56.00
CC1CC[N@@H+]1CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071300	1	53	0.0	-69.95	409.51	3.94	-66.01
CC1CC[N@H+]1CC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071300	1	53	0.0	-70.16	409.54	3.85	-66.31
C[N@@H+]1CCCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071415	0	53	0.0	-60.68	397.79	3.35	-57.33
C[N@H+]1CCCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071415	1	53	0.0	-60.61	397.75	3.35	-57.26
CCC(C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025071489	0	55	0.0	-62.64	411.28	4.01	-58.63
CCC[N@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071493	0	55	0.0	-65.88	417.82	4.24	-61.64
CCC[N@@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071493	1	55	0.0	-73.81	414.57	5.14	-68.67
CC[N@H+](C)CCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071510	0	55	0.0	-69.19	418.37	4.07	-65.12
CC[N@@H+](C)CCC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071510	1	55	0.0	-68.95	418.27	4.08	-64.87
CC[C@@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025071551	0	55	0.0	-60.23	405.91	3.72	-56.51
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071597	0	53	0.0	-60.20	397.83	3.38	-56.82
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071597	1	53	0.0	-62.85	400.29	3.74	-59.11
C[C@@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025071652	0	52	0.0	-64.77	398.38	3.31	-61.46
C[N@H+](CCO)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071662	1	53	0.0	-74.04	403.42	1.15	-72.89
C[N@@H+](CCO)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071662	1	53	0.0	-65.57	406.13	0.26	-65.31
CC1C[NH+](CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300025071678	1	53	0.0	-66.57	409.50	3.93	-62.64
CC[N@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071696	0	52	0.0	-65.70	396.32	3.50	-62.20
CC[N@@H+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071696	1	52	0.0	-73.49	393.07	4.39	-69.10
CC(C[NH+](C)C)C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071729	0	55	0.0	-67.73	417.56	4.01	-63.72
C[NH+](C)C1(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)CC3)CC1	REAL300025071732	0	53	0.0	-64.25	399.77	3.57	-60.68
C[C@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025071736	0	52	0.0	-62.92	398.79	3.27	-59.65
CC[N@@H+]1CCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071739	1	53	0.0	-70.70	399.11	4.42	-66.28
CC[N@H+]1CCC1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071739	1	53	0.0	-62.56	403.08	3.45	-59.11
C[NH+](C)C(C)(C)C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071748	0	55	0.0	-67.10	393.50	3.08	-64.02
[N-]=[N+]=NCC(=O)N1C2CCC1CN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300025071797	0	43	0.0	-25.21	355.11	-1.58	-26.79
C[N@@H+]1CCC[C@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071810	0	53	0.0	-68.92	392.41	4.28	-64.64
C[N@H+]1CCC[C@H]1C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071810	1	53	0.0	-60.52	398.22	3.37	-57.15
C[N@H+](CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300025071847	0	53	0.0	-70.38	404.59	5.14	-65.24
C[N@@H+](CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300025071847	1	53	0.0	-63.02	407.60	4.25	-58.77
C[NH+]1CC(CC(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300025071875	0	53	0.0	-74.44	406.77	4.57	-69.87
C[NH+](C)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071878	0	49	0.0	-66.53	378.18	2.83	-63.70
C[C@@H](C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025071881	0	52	0.0	-64.77	398.38	3.31	-61.46
CC1CC[N@@H+]1CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071890	1	53	0.0	-64.78	404.18	3.66	-61.12
CC1CC[N@H+]1CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071890	1	53	0.0	-70.97	400.78	4.52	-66.45
C[NH+](C)CC=CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071891	0	53	0.0	-74.83	415.90	4.10	-70.73
CC[NH+](CC)CC(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071897	0	55	0.0	-63.76	409.71	3.90	-59.86
O=C(C[NH+]1CCC1)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025071898	1	50	0.0	-67.02	388.44	3.29	-63.73
CC(C(=O)N1C2CCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+]1CCC1	REAL300025071921	1	53	0.0	-65.01	402.99	3.53	-61.48
NC(=[NH2+])SCC(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071961	0	47	0.0	-76.51	386.10	-0.17	-76.68
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071993	0	53	0.0	-68.22	402.84	3.62	-64.60
C[N@H+]1CCC[C@H]1C(=O)N1CCC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025071993	1	53	0.0	-68.62	396.94	3.32	-65.30
C[NH+](C)CC(=O)N1CCCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025072049	0	55	0.0	-73.18	416.76	3.81	-69.37
[N-]=[N+]=NCC(=O)N1CCCCC2(CCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025072054	0	49	0.0	-22.21	393.72	-0.59	-22.80
[N-]=[N+]=NCC(=O)N1CCC2(C1)CCCCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025072118	0	49	0.0	-23.24	389.39	-0.42	-23.66
C[NH+](C)CC(=O)N1CCC2(C1)CCCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025072125	0	55	0.0	-73.56	416.64	3.85	-69.71
C[NH+](C)CC(=O)N1CCN(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025072163	0	54	0.0	-76.15	425.52	1.35	-74.80
[N-]=[N+]=NCC(=O)N1CCN(C2CCN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025072168	0	48	0.0	-23.85	402.50	-3.06	-26.91
[N-]=[N+]=NCC(=O)N1CCC(N2CCN(C(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025072227	0	48	0.0	-24.60	402.50	-3.01	-27.61
C[NH+](C)CC(=O)N1CCC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025072234	0	54	0.0	-73.80	425.57	1.41	-72.39
C[N@@H+]1CCCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072401	0	49	0.0	-69.11	385.66	1.03	-68.08
C[N@H+]1CCCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072401	1	49	0.0	-64.11	387.97	1.12	-62.99
CC(C)[N@@H+]1CCCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072566	0	55	0.0	-71.75	414.99	2.61	-69.14
CC(C)[N@H+]1CCCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072566	1	55	0.0	-67.99	425.84	2.63	-65.36
CC1=[NH+]C=CN1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072587	1	47	0.0	-64.26	397.62	2.19	-62.07
CC1(NC(=O)C2C[NH+]3CCC2CC3)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072606	0	53	0.0	-78.48	409.43	2.37	-76.11
C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025072630	0	52	0.0	-69.29	404.44	1.52	-67.77
C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025072630	1	52	0.0	-76.36	410.28	1.81	-74.55
CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025072632	0	55	0.0	-72.28	424.91	2.26	-70.02
CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025072632	1	55	0.0	-69.27	428.15	2.72	-66.55
CC[N@@H+]1CCOC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025072636	1	53	0.0	-81.50	423.41	1.55	-79.95
CC[N@H+]1CCOC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025072636	1	53	0.0	-80.00	422.31	1.51	-78.49
CC1CCC(C)[NH+]1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072670	0	55	0.0	-68.42	424.05	2.40	-66.02
CC1(NC(=O)CCC[NH+]2CCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072672	0	55	0.0	-72.40	435.28	2.93	-69.47
CC1(NC(=O)CC[NH+]2CCCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072674	0	55	0.0	-73.01	431.07	2.93	-70.08
C[N@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025072704	0	52	0.0	-65.84	414.29	2.56	-63.28
C[N@@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025072704	1	52	0.0	-67.03	414.43	2.57	-64.46
C[N@@H+]1CCCC1CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072755	0	55	0.0	-73.90	430.75	2.88	-71.02
C[N@H+]1CCCC1CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072755	1	55	0.0	-73.60	431.01	2.86	-70.74
C[NH+]1CCC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025072768	0	52	0.0	-77.91	411.69	2.18	-75.73
CC1(NC(=O)CC[NH+]2CCOCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072828	1	53	0.0	-76.77	422.45	0.53	-76.24
CC1=C[NH+]=CN1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072838	1	47	0.0	-70.07	396.83	2.85	-67.22
C[N@@H+]1CCC(CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025072855	0	52	0.0	-69.81	415.05	2.11	-67.70
C[N@H+]1CCC(CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025072855	1	52	0.0	-69.82	414.57	2.14	-67.68
CCC(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025072861	0	51	0.0	-67.92	397.72	1.51	-66.41
C[NH+](C)CCCCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072899	0	54	0.0	-74.86	432.43	2.65	-72.21
CCC[N@H+](C)CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072909	0	54	0.0	-74.30	428.75	2.46	-71.84
CCC[N@@H+](C)CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072909	1	54	0.0	-74.42	428.66	2.45	-71.97
CCC[N@H+](C)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072911	0	51	0.0	-68.30	407.43	1.99	-66.31
CCC[N@@H+](C)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072911	1	51	0.0	-72.21	406.29	1.92	-70.29
CC1(NC(=O)C23CC[N@H+](C2)CCC3)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072921	0	53	0.0	-82.39	407.91	1.84	-80.55
CC1(NC(=O)C23CC[N@@H+](C2)CCC3)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072921	1	53	0.0	-82.11	408.69	1.86	-80.25
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072940	0	49	0.0	-64.17	387.71	1.09	-63.08
C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072940	1	49	0.0	-68.66	392.20	1.60	-67.06
CC[NH+](CC)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072963	0	51	0.0	-70.37	398.65	1.59	-68.78
CC1CC[NH+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025073008	0	55	0.0	-72.75	430.03	3.00	-69.75
C[NH+](C)CC1(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025073021	0	52	0.0	-72.09	416.12	2.51	-69.58
C[NH+]1CCC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025073057	0	52	0.0	-77.91	411.69	2.18	-75.73
CCC(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025073082	0	57	0.0	-66.25	426.80	2.61	-63.64
CC[N@H+](C)CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073110	0	51	0.0	-73.70	407.26	1.72	-71.98
CC[N@@H+](C)CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073110	1	51	0.0	-73.70	407.16	1.72	-71.98
CC1CCC[N@@H+]1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073130	0	52	0.0	-65.03	406.91	1.95	-63.08
CC1CCC[N@H+]1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073130	1	52	0.0	-69.62	412.18	2.21	-67.41
CC1CC[N@H+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073131	0	52	0.0	-71.76	412.23	2.24	-69.52
CC1CC[N@@H+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073131	1	52	0.0	-71.70	412.41	2.26	-69.44
CC1(C)CC[N@H+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073133	0	55	0.0	-67.79	433.65	2.81	-64.98
CC1(C)CC[N@@H+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073133	1	55	0.0	-71.37	432.25	2.78	-68.59
C[N@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025073134	0	57	0.0	-68.04	436.03	2.98	-65.06
C[N@@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025073134	1	57	0.0	-67.50	438.00	3.11	-64.39
CC[C@@H](C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025073140	0	51	0.0	-69.92	397.39	1.56	-68.36
C[NH+](C)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073201	0	45	0.0	-72.54	367.18	0.53	-72.01
CC1(NC(=O)C[NH+]2CCCCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073204	0	55	0.0	-71.02	418.24	2.57	-68.45
CN1C=C[N+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025073207	0	47	0.0	-70.78	398.30	4.02	-66.76
C[N@@H+]1CCCC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073210	0	52	0.0	-67.05	405.49	2.35	-64.70
C[N@H+]1CCCC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073210	1	52	0.0	-64.75	406.56	2.40	-62.35
CC1(NC(=O)C2CCC[N@@H+]2C2CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073214	0	53	0.0	-66.88	423.10	3.03	-63.85
CC1(NC(=O)C2CCC[N@H+]2C2CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073214	1	53	0.0	-67.39	419.55	2.91	-64.48
CC(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025073224	1	49	0.0	-69.24	397.29	1.47	-67.77
CCC(CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025073228	0	57	0.0	-76.07	441.90	3.13	-72.94
CC1(NC(=O)C[NH+]2CCC(O)CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073242	1	53	0.0	-76.66	420.28	-0.96	-77.62
C[N@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025073243	0	49	0.0	-69.59	396.33	1.92	-67.67
C[N@@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025073243	1	49	0.0	-69.64	396.47	1.93	-67.71
C[NH+]1CC(CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073255	0	49	0.0	-71.67	398.60	1.34	-70.33
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073264	0	55	0.0	-71.78	407.12	1.95	-69.83
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073264	1	55	0.0	-63.90	413.72	1.69	-62.21
C[C@@H](C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025073274	0	48	0.0	-69.35	385.24	0.93	-68.42
CC1(NC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025073281	0	39	0.0	-26.15	344.13	-3.88	-30.03
CC1(NC(=O)CN2C=CSC2=[NH2+])CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073315	0	45	0.0	-62.70	395.27	0.75	-61.95
C[N@H+](CCO)CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073320	0	52	0.0	-74.06	417.51	-1.49	-75.55
C[N@@H+](CCO)CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073320	1	52	0.0	-72.70	417.59	-1.51	-74.21
C[C@@H](C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025073321	0	48	0.0	-69.35	385.24	0.93	-68.42
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073324	0	52	0.0	-68.68	399.80	1.94	-66.74
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073324	1	52	0.0	-70.84	409.03	2.10	-68.74
CC1(NC(=O)C[NH+]2CCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073365	1	46	0.0	-72.52	377.23	0.95	-71.57
C[N@@H+]1CCC(=CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073376	0	50	0.0	-72.66	405.97	2.13	-70.53
C[N@H+]1CCC(=CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073376	1	50	0.0	-75.25	404.94	2.09	-73.16
C[NH+](C)CCOCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073393	0	52	0.0	-73.46	422.94	1.44	-72.02
C=CCC(C)(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025073403	0	55	0.0	-73.32	418.85	2.31	-71.01
CC1CN(CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073432	0	49	0.0	-73.01	397.20	1.68	-71.33
CC1C[NH+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073432	1	49	0.0	-73.01	397.20	1.68	-71.33
CN(CCO)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073448	0	49	0.0	-72.23	395.15	-2.05	-74.28
C[N@H+](CCO)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073448	1	49	0.0	-67.93	396.07	-2.01	-69.94
C[N@@H+](CCO)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073448	1	49	0.0	-67.93	396.07	-2.01	-69.94
CC[N@@H+]1CCCC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073464	0	55	0.0	-70.77	429.36	2.80	-67.97
CC[N@H+]1CCCC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073464	1	55	0.0	-70.77	429.36	2.80	-67.97
CC(CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025073466	0	54	0.0	-75.16	424.18	2.50	-72.66
CC[N@H+](C)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073468	0	48	0.0	-67.91	385.95	1.24	-66.67
CC[N@H+](CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025073489	0	52	0.0	-68.56	411.86	2.27	-66.29
CC[NH+](CC)CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073496	0	54	0.0	-73.42	420.66	2.15	-71.27
CC1(C)CN(CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073510	0	52	0.0	-68.13	418.60	2.14	-65.99
CC1(C)C[NH+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073510	1	52	0.0	-68.13	418.60	2.14	-65.99
CC1(O)CC[N@H+](CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073524	0	53	0.0	-72.07	423.60	-1.06	-73.13
C[NH+](C)CC=CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073526	0	49	0.0	-77.10	403.13	1.75	-75.35
COCCN(C)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073537	0	52	0.0	-67.42	418.31	0.40	-67.02
COCC[N@H+](C)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073537	1	52	0.0	-72.43	417.40	0.35	-72.08
COCC[N@@H+](C)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073537	1	52	0.0	-72.43	417.40	0.35	-72.08
CC(CCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025073552	0	54	0.0	-72.53	424.42	2.26	-70.27
CCN1CCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073558	0	49	0.0	-69.53	391.96	1.23	-68.30
CC[N@@H+]1CCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073558	1	49	0.0	-67.75	399.87	1.58	-66.17
CC[N@H+]1CCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073558	1	49	0.0	-67.75	399.87	1.58	-66.17
CC1(NC(=O)C[N@@H+]2CCCC2CO)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073567	0	53	0.0	-67.23	423.08	-0.89	-68.12
C=CCC(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025073592	0	52	0.0	-73.26	414.06	2.16	-71.10
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073596	0	55	0.0	-68.12	426.02	2.11	-66.01
C[NH+](C)CCCCCC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073598	0	57	0.0	-74.34	453.93	3.43	-70.91
CCCC(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025073614	0	54	0.0	-73.57	422.25	2.45	-71.12
C[N@@H+]1CCCCC1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073635	0	52	0.0	-71.26	399.82	1.94	-69.32
C[N@H+]1CC=C(CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025073652	0	53	0.0	-67.13	427.23	2.88	-64.25
C[N@@H+]1CC=C(CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025073652	1	53	0.0	-67.13	427.23	2.88	-64.25
CC1(NC(=O)C=CC[NH+]2CCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073677	0	53	0.0	-74.71	429.36	2.94	-71.77
CC1(NC(=O)CC[NH+]2CCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073698	0	52	0.0	-73.09	415.39	2.24	-70.85
CC1(NC(=O)C[N@@H+]2CC3CCC2C3)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073723	0	53	0.0	-70.57	413.67	2.62	-67.95
CC1(NC(=O)C[N@H+]2CC3CCC2C3)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073723	1	53	0.0	-70.57	413.67	2.62	-67.95
CC1(NC(=O)CN2CC3C=CC2C3)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073754	0	51	0.0	-64.12	407.41	2.42	-61.70
CC1(NC(=O)C[N@@H+]2CC3C=CC2C3)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073754	1	51	0.0	-70.61	406.38	2.51	-68.10
CC1(NC(=O)C[N@H+]2CC3C=CC2C3)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073754	1	51	0.0	-70.61	406.38	2.51	-68.10
CC(C[NH+](C)C)C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073776	0	51	0.0	-73.80	405.45	1.79	-72.01
C[N@@H+]1CCCCC1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073810	0	55	0.0	-65.19	419.96	2.62	-62.57
C[N@H+]1CCCCC1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073810	1	55	0.0	-65.19	419.96	2.62	-62.57
CC(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300025073818	0	52	0.0	-69.21	416.45	2.23	-66.98
CC(C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025073818	1	52	0.0	-69.21	416.45	2.23	-66.98
CC1CCN1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073820	0	49	0.0	-70.55	398.63	1.62	-68.93
CC1CC[N@@H+]1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073820	1	49	0.0	-70.67	398.40	1.60	-69.07
CC1CC[N@H+]1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073820	1	49	0.0	-70.67	398.40	1.60	-69.07
C[NH+](C)CC(O)CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073821	0	52	0.0	-77.22	419.79	-0.52	-77.74
CC1CN(C)CC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025073833	0	53	0.0	-82.92	418.46	1.16	-81.76
CC1C[N@H+](C)CC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025073833	1	53	0.0	-70.79	418.51	1.43	-69.36
CC1C[N@@H+](C)CC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025073833	1	53	0.0	-70.79	418.51	1.43	-69.36
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025073868	0	52	0.0	-74.97	416.66	2.23	-72.74
CC(CC[NH+](C)C)C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073872	0	54	0.0	-72.89	427.10	2.40	-70.49
CN1CCN(CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025073884	0	54	0.0	-73.68	426.65	0.03	-73.65
C[NH+]1CCN(CC(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025073884	1	54	0.0	-73.68	426.65	0.03	-73.65
C[N@@H+]1CCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074053	0	49	0.0	-65.13	389.81	1.34	-63.79
CN1CCOC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025074079	0	50	0.0	-73.61	393.62	0.62	-72.99
C[N@@H+]1CCOC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025074079	1	50	0.0	-75.87	392.76	0.63	-75.24
C[N@H+]1CCOC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025074079	1	50	0.0	-75.87	392.76	0.63	-75.24
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300025074227	1	53	0.0	-73.31	421.90	0.54	-72.77
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300025074235	0	53	0.0	-64.16	404.23	1.89	-62.27
C[N@@H+]1CCC(CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025074258	0	52	0.0	-69.28	415.14	2.08	-67.20
C[N@H+]1CCC(CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025074258	1	52	0.0	-71.45	413.18	2.11	-69.34
CCC(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025074264	0	51	0.0	-67.21	395.97	1.54	-65.67
C[NH+](C)CCCCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074296	0	54	0.0	-71.82	432.11	2.69	-69.13
CC(C)C(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025074309	0	54	0.0	-67.03	408.47	1.93	-65.10
CCC[N@H+](C)CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074310	0	54	0.0	-71.65	428.28	2.51	-69.14
CCC[N@@H+](C)CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074310	1	54	0.0	-71.64	428.38	2.49	-69.15
CCC[N@H+](C)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074313	0	51	0.0	-68.93	405.90	1.90	-67.03
CCC[N@@H+](C)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074313	1	51	0.0	-69.04	405.86	1.92	-67.12
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025074326	0	53	0.0	-73.88	399.92	1.31	-72.57
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025074326	1	53	0.0	-73.07	399.91	1.30	-71.77
CC1CC[NH+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025074351	0	55	0.0	-69.47	429.27	2.98	-66.49
C[NH+](C)CC1(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025074388	0	52	0.0	-70.25	414.40	2.09	-68.16
CC[N@H+](C)CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074405	0	51	0.0	-70.99	406.88	1.76	-69.23
CC[N@@H+](C)CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074405	1	51	0.0	-70.88	406.78	1.74	-69.14
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300025074417	0	53	0.0	-72.92	405.03	2.06	-70.86
C[NH+]1CCC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025074455	0	52	0.0	-72.30	406.85	1.88	-70.42
CC(C)[C@H](C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025074470	0	54	0.0	-68.21	409.82	2.04	-66.17
C[NH+](C)C1(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025074533	0	52	0.0	-69.40	394.86	1.37	-68.03
CCC(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025074560	0	57	0.0	-63.73	427.24	2.42	-61.31
CC1CCC[N@@H+]1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074569	0	52	0.0	-65.64	405.28	1.86	-63.78
CC1CCC[N@H+]1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074569	1	52	0.0	-66.44	412.06	2.30	-64.14
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074596	0	55	0.0	-64.01	424.14	2.47	-61.54
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074596	1	55	0.0	-64.93	417.11	2.93	-62.00
CC(C)[C@@H](C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025074603	0	54	0.0	-66.83	410.74	2.35	-64.48
CC1CC[N@H+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025074613	0	52	0.0	-68.30	412.04	2.18	-66.12
CC1CC[N@@H+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025074613	1	52	0.0	-68.04	412.71	2.23	-65.81
CC1(C)CC[N@H+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025074615	0	55	0.0	-67.26	433.35	2.76	-64.50
CC1(C)CC[N@@H+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025074615	1	55	0.0	-67.12	433.36	2.77	-64.35
C[N@H+](CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025074616	0	57	0.0	-68.69	434.51	2.90	-65.79
C[N@@H+](CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025074616	1	57	0.0	-68.44	436.41	3.05	-65.39
CC[C@@H](C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025074623	0	51	0.0	-66.97	396.78	1.52	-65.45
CC1=[NH+]C=CN1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074703	1	47	0.0	-65.70	395.02	2.08	-63.62
CC[N@@H+]1CCOC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025074746	1	53	0.0	-75.07	417.24	1.41	-73.66
CC[N@H+]1CCOC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025074746	1	53	0.0	-83.06	417.94	1.47	-81.59
CC1=C[NH+]=CN1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074766	1	47	0.0	-68.05	396.39	2.83	-65.22
C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025074771	0	52	0.0	-69.96	402.79	1.82	-68.14
C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025074771	1	52	0.0	-71.84	409.18	1.72	-70.12
CC[C@@H]1[C@@H](C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025074773	0	55	0.0	-69.98	420.55	2.04	-67.94
CC[C@@H]1[C@@H](C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025074773	1	55	0.0	-67.34	427.03	2.35	-64.99
CC1CCC(C)[NH+]1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074778	0	55	0.0	-65.05	423.81	2.38	-62.67
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300025074780	0	55	0.0	-69.92	434.87	2.96	-66.96
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300025074784	0	55	0.0	-70.34	430.79	2.96	-67.38
CC[N@@H+]1CCCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074787	0	55	0.0	-66.11	417.24	2.42	-63.69
CC[N@H+]1CCCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074787	1	55	0.0	-65.46	413.13	2.23	-63.23
C[N@H+](CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025074867	0	52	0.0	-66.70	412.77	2.48	-64.22
C[N@@H+](CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025074867	1	52	0.0	-67.25	412.80	2.48	-64.77
C[NH+]1CCC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025074891	0	52	0.0	-72.30	406.85	1.88	-70.42
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074913	0	49	0.0	-65.76	386.91	0.98	-64.78
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074913	1	49	0.0	-66.19	387.92	1.26	-64.93
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074930	1	51	0.0	-66.41	411.96	2.23	-64.18
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074930	1	51	0.0	-66.41	419.33	2.67	-63.74
C[N@@H+]1CCCC1CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074935	0	55	0.0	-72.16	434.17	3.03	-69.13
C[N@H+]1CCCC1CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074935	1	55	0.0	-69.19	432.07	2.88	-66.31
C[N@@H+]1CCCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074998	0	52	0.0	-67.43	395.43	1.59	-65.84
C[N@H+]1CCCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025074998	1	52	0.0	-66.31	407.23	2.05	-64.26
CC1C(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025075047	0	52	0.0	-69.19	407.28	2.03	-67.16
CC1C(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025075047	1	52	0.0	-67.75	408.55	1.83	-65.92
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075097	0	55	0.0	-65.81	407.18	1.55	-64.26
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075097	1	55	0.0	-65.87	407.68	1.43	-64.44
C[C@@H](C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025075110	0	48	0.0	-67.07	383.50	0.85	-66.22
C=CCC(C)(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025075122	0	55	0.0	-72.53	407.76	2.22	-70.31
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300025075134	0	52	0.0	-70.00	414.94	2.26	-67.74
C[N@H+](CCO)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075142	1	49	0.0	-69.70	394.71	-2.07	-71.77
C[N@@H+](CCO)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075142	1	49	0.0	-69.73	394.55	-2.05	-71.78
C[N@H+]1CC=C(CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025075188	0	53	0.0	-67.97	427.41	2.85	-65.12
C[N@@H+]1CC=C(CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025075188	1	53	0.0	-66.92	427.42	2.86	-64.06
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075206	0	53	0.0	-74.76	404.80	-1.81	-76.57
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075206	1	53	0.0	-65.54	406.56	-2.07	-67.61
CC1C[NH+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025075232	1	49	0.0	-69.07	397.93	1.60	-67.47
CC[N@@H+]1CCCC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025075238	0	55	0.0	-67.29	418.42	2.50	-64.79
CC[N@H+]1CCCC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025075238	1	55	0.0	-66.77	418.89	2.79	-63.98
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025075249	0	53	0.0	-67.22	418.03	2.45	-64.77
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025075249	1	53	0.0	-66.65	415.63	2.31	-64.34
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300025075270	0	53	0.0	-80.14	428.53	2.87	-77.27
CC[N@H+](C)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075307	0	48	0.0	-68.74	384.36	1.16	-67.58
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300025075336	0	51	0.0	-65.44	407.63	2.48	-62.96
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300025075336	1	51	0.0	-66.19	407.64	2.49	-63.70
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300025075336	1	51	0.0	-66.19	407.64	2.49	-63.70
COCCN(C)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075411	0	52	0.0	-69.66	416.81	0.36	-69.30
COCC[N@H+](C)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075411	1	52	0.0	-69.84	416.96	0.34	-69.50
COCC[N@@H+](C)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075411	1	52	0.0	-69.84	416.96	0.34	-69.50
CC(CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025075414	0	54	0.0	-69.83	424.10	2.29	-67.54
CC[N@H+](CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025075427	0	52	0.0	-66.42	413.58	2.53	-63.89
C[N@@H+]1CC2CC1(C(=O)N1CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025075452	0	50	0.0	-69.06	394.85	1.50	-67.56
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300025075459	0	53	0.0	-66.27	410.78	2.41	-63.86
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300025075459	1	53	0.0	-66.27	410.78	2.41	-63.86
CC(C[NH+](C)C)C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075472	0	51	0.0	-70.95	400.86	1.46	-69.49
CCN1CCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075500	0	49	0.0	-67.42	387.42	1.05	-66.37
CC[N@@H+]1CCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075500	1	49	0.0	-67.99	398.06	1.49	-66.50
CC[N@H+]1CCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075500	1	49	0.0	-67.99	398.06	1.49	-66.50
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075506	0	57	0.0	-67.10	431.14	1.14	-65.96
CCCC(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025075536	0	54	0.0	-68.29	418.19	2.32	-65.97
C[NH+](C)C(C)(C)C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075540	0	51	0.0	-68.89	386.48	0.85	-68.04
CC(CC[NH+](C)C)C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075553	0	54	0.0	-71.06	422.50	2.08	-68.98
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075601	0	55	0.0	-64.88	429.82	2.48	-62.40
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075601	1	55	0.0	-64.88	429.82	2.48	-62.40
C[NH+](C)CCCCCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075603	0	57	0.0	-71.27	453.60	3.46	-67.81
CN1CCN(CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025075610	0	54	0.0	-69.58	425.64	-0.01	-69.59
C[NH+]1CCN(CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025075610	1	54	0.0	-69.58	425.64	-0.01	-69.59
CC1CN(C)CC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025075651	0	53	0.0	-78.39	414.58	1.10	-77.29
CC1C[N@H+](C)CC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025075651	1	53	0.0	-77.83	421.81	1.51	-76.32
CC1C[N@@H+](C)CC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025075651	1	53	0.0	-77.83	421.81	1.51	-76.32
C[N@@H+]1CCCCC1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075695	0	52	0.0	-66.31	407.23	2.05	-64.26
C[N@@H+]1CCC(=CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025075753	0	50	0.0	-77.75	406.33	2.04	-75.71
C[N@H+]1CCC(=CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025075753	1	50	0.0	-77.75	406.33	2.04	-75.71
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300025075755	0	48	0.0	-68.93	402.51	-0.23	-69.16
C[NH+](C)C1(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025075805	0	55	0.0	-70.62	407.11	2.04	-68.58
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075821	0	49	0.0	-68.14	385.15	1.00	-67.14
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025075899	0	52	0.0	-69.78	416.14	2.22	-67.56
C[NH+](C)CCC1(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025075907	0	55	0.0	-69.77	438.06	2.84	-66.93
C[N@@H+]1CC=CCC1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075908	0	53	0.0	-72.50	418.28	2.60	-69.90
C[N@H+]1CC=CCC1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075908	1	53	0.0	-72.50	418.28	2.60	-69.90
C[NH+](C)CCOCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025075936	0	52	0.0	-74.68	422.93	1.59	-73.09
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300025075960	0	45	0.0	-64.76	393.69	0.67	-64.09
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300025076015	0	52	0.0	-68.36	408.36	2.36	-66.00
C[N@@H+]1CCCC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025076016	0	52	0.0	-69.96	410.38	1.98	-67.98
C[N@H+]1CCCC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025076016	1	52	0.0	-63.84	400.68	2.00	-61.84
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300025076017	0	55	0.0	-67.99	417.59	2.56	-65.43
CN1C=C[N+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025076020	0	47	0.0	-66.98	397.90	4.00	-62.98
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300025076039	1	53	0.0	-73.48	419.51	-0.98	-74.46
C[N@@H+](CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025076040	1	49	0.0	-67.10	396.18	1.92	-65.18
CCOCC(N=[N+]=[N-])C(=O)N1CCC(C)(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025076055	0	49	0.0	-21.63	416.19	-3.15	-24.78
CC(CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025076058	0	54	0.0	-71.32	423.98	2.53	-68.79
CN1CCOCC1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076075	0	53	0.0	-74.63	416.98	0.33	-74.30
C[N@@H+]1CCOCC1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076075	1	53	0.0	-74.90	417.07	0.34	-74.56
C[N@H+]1CCOCC1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076075	1	53	0.0	-74.63	416.98	0.33	-74.30
CC1(O)CC[N@@H+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025076136	1	53	0.0	-69.40	423.20	-1.09	-70.49
C[NH+]1CC(CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025076157	0	49	0.0	-71.09	398.07	1.35	-69.74
C[NH+](C)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076166	0	45	0.0	-70.06	366.80	0.50	-69.56
C[N@H+](CCO)CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076180	0	52	0.0	-71.03	417.17	-1.46	-72.49
C[N@@H+](CCO)CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076180	1	52	0.0	-70.68	417.12	-1.48	-72.16
C[C@@H](C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025076181	0	48	0.0	-67.07	383.50	0.85	-66.22
C[N@@H+]1CCCCC1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076195	0	55	0.0	-71.40	426.26	2.72	-68.68
C[N@H+]1CCCCC1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076195	1	55	0.0	-70.82	425.54	2.70	-68.12
CC(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025076205	0	52	0.0	-72.80	415.25	2.05	-70.75
CC1CC[N@@H+]1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076207	1	49	0.0	-66.67	399.63	1.60	-65.07
CC1CC[N@H+]1CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076207	1	49	0.0	-65.78	399.64	1.60	-64.18
C[NH+](C)CC=CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076213	0	49	0.0	-81.52	402.10	1.64	-79.88
CC1(C)C[NH+](CC(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025076218	1	52	0.0	-68.96	417.21	2.11	-66.85
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300025076252	0	53	0.0	-67.25	417.95	-1.41	-68.66
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300025076252	1	53	0.0	-66.67	417.97	-1.42	-68.09
CC[NH+](CC)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076254	0	51	0.0	-67.42	403.20	1.86	-65.56
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCC2)C1	REAL300025076263	1	46	0.0	-69.08	376.93	0.97	-68.11
CC[NH+](CC)CCC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076291	0	54	0.0	-69.95	424.69	2.47	-67.48
CC(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025076341	1	49	0.0	-67.14	394.29	1.38	-65.76
CCC(CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025076346	0	57	0.0	-65.44	441.66	3.16	-62.28
C[NH+](C)CC(C)(C)C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076351	0	54	0.0	-69.88	406.28	1.58	-68.30
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076380	0	52	0.0	-67.46	395.42	1.58	-65.88
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076380	1	52	0.0	-65.16	408.87	2.05	-63.11
C[NH+](C)CC(O)CC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076399	0	52	0.0	-74.34	419.27	-0.42	-74.76
C=CCC(C(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025076419	0	52	0.0	-67.28	409.99	2.02	-65.26
C[NH+]1CCC(C)(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025076430	0	55	0.0	-71.60	414.14	2.03	-69.57
CC1(NC(=O)CSC(N)=[NH2+])CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076451	0	43	0.0	-74.49	375.71	-2.61	-77.10
C[N@@H+]1CC=CCC1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076469	0	53	0.0	-74.59	418.48	2.58	-72.01
C[N@H+]1CC=CCC1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076469	1	53	0.0	-63.80	413.40	2.50	-61.30
C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076537	0	49	0.0	-69.07	385.59	1.03	-68.04
CC1C(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025076558	0	52	0.0	-72.50	405.85	1.73	-70.77
CC1C(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025076558	1	52	0.0	-72.50	405.85	1.73	-70.77
CN1CCOCC1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076584	0	53	0.0	-77.95	417.71	0.35	-77.60
C[N@@H+]1CCOCC1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076584	1	53	0.0	-79.06	417.86	0.35	-78.71
C[N@H+]1CCOCC1CC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076584	1	53	0.0	-79.06	417.86	0.35	-78.71
C[N@@H+]1CCCC1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076789	0	52	0.0	-72.65	408.97	1.87	-70.78
C[N@H+]1CCCC1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076789	1	52	0.0	-72.65	408.97	1.87	-70.78
CN1CCOC(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025076813	0	53	0.0	-86.71	423.92	1.65	-85.06
C[N@@H+]1CCOC(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025076813	1	53	0.0	-86.41	422.78	1.54	-84.87
C[N@H+]1CCOC(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025076813	1	53	0.0	-86.41	422.78	1.54	-84.87
CC1=NC=CN1CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076952	0	50	0.0	-69.62	421.34	2.94	-66.68
CC1=[NH+]C=CN1CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076952	1	50	0.0	-69.62	421.34	2.94	-66.68
C[C@@H]1[C@H](C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025076970	0	55	0.0	-74.57	431.59	2.83	-71.74
C[C@@H]1[C@H](C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025076970	1	55	0.0	-74.57	431.59	2.83	-71.74
C[NH+](C)C1(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025076990	0	55	0.0	-74.60	419.17	2.46	-72.14
CC(C)[C@@H](C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025076992	0	57	0.0	-70.73	433.43	3.27	-67.46
C[N@H+](CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025077001	0	55	0.0	-70.70	436.81	3.35	-67.35
C[N@@H+](CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025077001	1	55	0.0	-70.70	436.81	3.35	-67.35
C[NH+]1CCC(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025077025	0	55	0.0	-75.13	434.81	2.94	-72.19
C[N@@H+]1CCCCC1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077031	0	55	0.0	-68.10	431.05	2.93	-65.17
CC1=CN=CN1CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077048	0	50	0.0	-72.73	420.33	3.71	-69.02
CC1=C[NH+]=CN1CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077048	1	50	0.0	-72.73	420.33	3.71	-69.02
C[N@@H+]1CCC(CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077058	0	55	0.0	-76.01	436.82	3.04	-72.97
C[N@H+]1CCC(CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077058	1	55	0.0	-76.01	436.82	3.04	-72.97
CCC(C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025077061	0	54	0.0	-69.24	417.79	2.27	-66.97
C[NH+](C)CCCCC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077075	0	57	0.0	-76.29	457.73	3.50	-72.79
CC(C)C(C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025077078	0	57	0.0	-70.66	431.71	3.13	-67.53
CCC[N@H+](C)CCC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077079	0	57	0.0	-75.40	452.08	3.41	-71.99
CCC[N@@H+](C)CCC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077079	1	57	0.0	-75.40	452.08	3.41	-71.99
CCC[N@H+](C)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077080	0	54	0.0	-72.57	429.80	2.78	-69.79
CCC[N@@H+](C)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077080	1	54	0.0	-72.57	429.80	2.78	-69.79
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077095	0	52	0.0	-70.32	412.03	2.14	-68.18
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077095	1	52	0.0	-70.32	412.03	2.14	-68.18
CC[NH+](CC)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077107	0	54	0.0	-70.68	422.08	2.50	-68.18
C[NH+](C)CC1(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025077161	0	55	0.0	-75.05	438.66	2.99	-72.06
C[NH+]1CCC(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025077183	0	55	0.0	-75.13	434.81	2.94	-72.19
CC(C)[C@H](C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025077198	0	57	0.0	-71.10	429.84	3.10	-68.00
CC[N@H+](C)CCC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077225	0	54	0.0	-74.99	432.51	2.58	-72.41
CC[N@@H+](C)CCC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077225	1	54	0.0	-74.61	430.58	2.67	-71.94
CC1CCC[N@@H+]1CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077235	0	55	0.0	-69.35	431.03	2.72	-66.63
CC1CCC[N@H+]1CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077235	1	55	0.0	-68.23	435.68	3.19	-65.04
CC1CC[N@H+](CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077236	0	55	0.0	-71.72	436.94	3.10	-68.62
CC1CC[N@@H+](CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077236	1	55	0.0	-71.69	436.60	3.08	-68.61
CC[C@@H](C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025077238	0	54	0.0	-68.65	418.17	2.23	-66.42
C[NH+](C)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077274	0	48	0.0	-73.02	390.49	1.42	-71.60
CN1C=C[N+](CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025077275	0	50	0.0	-70.31	421.72	4.94	-65.37
C[N@@H+]1CCCC(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077278	0	55	0.0	-73.95	431.97	2.79	-71.16
C[N@H+]1CCCC(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077278	1	55	0.0	-69.99	428.24	3.00	-66.99
CC(C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025077285	1	52	0.0	-70.88	418.87	2.33	-68.55
C[NH+](C)CC(C)(C)C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077288	0	57	0.0	-68.43	428.86	2.60	-65.83
C[N@H+](CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025077295	0	52	0.0	-69.47	419.75	2.82	-66.65
C[N@@H+](CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025077295	1	52	0.0	-70.35	421.82	2.76	-67.59
C[NH+]1CC(CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077306	0	52	0.0	-74.02	421.77	2.27	-71.75
C[C@@H](C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025077318	0	51	0.0	-70.87	407.90	1.80	-69.07
CC1(CNC(=O)CSC2=NC(=O)NN2)CCN(C(=O)CN=[N+]=[N-])C1	REAL300025077325	0	42	0.0	-24.44	367.63	-3.06	-27.50
C[C@@H](C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025077356	0	51	0.0	-70.87	407.90	1.80	-69.07
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077359	0	55	0.0	-73.72	422.67	2.61	-71.11
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077359	1	55	0.0	-68.13	431.06	2.93	-65.20
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCC2)C1	REAL300025077386	1	49	0.0	-72.74	400.79	1.90	-70.84
C[N@@H+]1CCC(=CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077395	0	53	0.0	-77.73	427.26	2.79	-74.94
C[N@H+]1CCC(=CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077395	1	53	0.0	-77.11	429.34	2.89	-74.22
C[C@H](C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025077413	0	51	0.0	-71.23	407.12	1.80	-69.43
CC1C[NH+](CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077429	1	52	0.0	-72.64	421.78	2.51	-70.13
C[N@H+](CCO)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077442	1	52	0.0	-72.97	418.59	-1.21	-74.18
C[N@@H+](CCO)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077442	1	52	0.0	-72.78	418.45	-1.20	-73.98
CC(CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025077454	0	57	0.0	-75.13	447.67	3.46	-71.67
CC[N@H+](C)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077456	0	51	0.0	-72.19	408.30	2.04	-70.15
CC[N@@H+](C)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077456	1	51	0.0	-72.28	408.30	2.04	-70.24
CC[N@H+](CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025077466	0	55	0.0	-68.75	439.08	3.45	-65.30
CC[N@@H+](CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025077466	1	55	0.0	-69.50	436.65	3.44	-66.06
CC[NH+](CC)CCC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077472	0	57	0.0	-73.97	444.09	3.09	-70.88
CC1(C)C[NH+](CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077480	1	55	0.0	-72.71	441.07	3.04	-69.67
C[NH+](C)CC=CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077487	0	52	0.0	-78.67	426.40	2.68	-75.99
CC(CCC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025077504	0	57	0.0	-73.17	447.84	3.20	-69.97
CC[N@@H+]1CCC1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077508	1	52	0.0	-71.62	411.51	1.92	-69.70
CC[N@H+]1CCC1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077508	1	52	0.0	-70.47	415.56	1.93	-68.54
C=CCC(C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025077529	0	55	0.0	-71.42	435.40	3.02	-68.40
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025077537	0	53	0.0	-72.49	426.04	3.24	-69.25
CCCC(C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025077542	0	57	0.0	-71.81	442.89	3.25	-68.56
C[NH+](C)C(C)(C)C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077544	0	54	0.0	-74.09	411.45	1.85	-72.24
C[N@@H+]1CCCCC1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077554	0	55	0.0	-70.23	419.69	2.52	-67.71
C[N@H+]1CCCCC1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077554	1	55	0.0	-68.10	431.05	2.93	-65.17
C[NH+](C)C1(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025077590	0	52	0.0	-74.19	413.40	2.03	-72.16
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300025077591	0	55	0.0	-74.02	438.82	3.18	-70.84
C[N@@H+]1CC2CC1(C(=O)N1CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025077601	0	53	0.0	-73.90	418.45	2.50	-71.40
C[N@H+]1CC2CC1(C(=O)N1CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025077601	1	53	0.0	-76.25	417.45	2.53	-73.72
CC(C[NH+](C)C)C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077636	0	54	0.0	-66.90	424.77	2.47	-64.43
CC(C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025077656	0	55	0.0	-70.39	438.74	3.00	-67.39
CC1CC[N@@H+]1CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077657	1	52	0.0	-71.61	423.68	2.43	-69.18
CC1CC[N@H+]1CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077657	1	52	0.0	-71.96	421.25	2.39	-69.57
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077688	0	55	0.0	-74.88	441.42	3.06	-71.82
CC(CC[NH+](C)C)C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077689	0	57	0.0	-74.68	450.99	3.20	-71.48
C[N@@H+]1CCCC1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077858	0	52	0.0	-66.96	417.79	2.35	-64.61
C[N@H+]1CCCC1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077858	1	52	0.0	-68.16	416.78	2.56	-65.60
C[N@@H+]1CCOC(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077884	1	53	0.0	-79.12	427.72	1.97	-77.15
C[N@H+]1CCOC(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025077884	1	53	0.0	-74.72	420.93	1.69	-73.03
C[N@@H+]1CCC(CC(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025078034	0	55	0.0	-73.14	438.54	2.98	-70.16
C[N@H+]1CCC(CC(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025078034	1	55	0.0	-72.70	436.21	3.14	-69.56
CCC(C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025078037	0	54	0.0	-67.91	420.90	2.41	-65.50
C[NH+](C)CCCCC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078047	0	57	0.0	-72.95	457.55	3.53	-69.42
CC(C)C(C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025078050	0	57	0.0	-69.14	441.25	3.66	-65.48
CCC[N@H+](C)CCC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078051	0	57	0.0	-72.65	452.25	3.35	-69.30
CCC[N@@H+](C)CCC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078051	1	57	0.0	-72.25	453.78	3.34	-68.91
CCC[N@H+](C)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078052	0	54	0.0	-70.39	431.42	2.80	-67.59
CCC[N@@H+](C)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078052	1	54	0.0	-70.35	431.42	2.80	-67.55
C[NH+](C)CC1(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025078091	0	55	0.0	-67.74	442.09	3.05	-64.69
CC[N@H+](C)CCC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078097	0	54	0.0	-71.91	430.75	2.61	-69.30
CC[N@@H+](C)CCC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078097	1	54	0.0	-71.57	432.29	2.60	-68.97
C[NH+]1CCC(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025078119	0	55	0.0	-74.06	436.77	3.05	-71.01
CC(C)[C@H](C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025078134	0	57	0.0	-69.46	440.96	3.47	-65.99
C[NH+](C)C1(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025078156	0	55	0.0	-76.43	422.88	3.05	-73.38
CC1CCC[N@@H+]1CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078180	0	55	0.0	-67.09	430.82	2.79	-64.30
CC1CCC[N@H+]1CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078180	1	55	0.0	-67.62	429.35	2.78	-64.84
CC(C)[C@@H](C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025078191	0	57	0.0	-68.57	439.31	3.65	-64.92
CC1CC[N@H+](CC(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025078199	0	55	0.0	-69.73	436.99	3.04	-66.69
CC1CC[N@@H+](CC(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025078199	1	55	0.0	-69.97	435.59	3.23	-66.74
CC[C@@H](C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025078201	0	54	0.0	-68.58	420.95	2.26	-66.32
CC1=[NH+]C=CN1CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078238	1	50	0.0	-67.62	421.62	3.01	-64.61
CC1=C[NH+]=CN1CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078256	1	50	0.0	-69.43	421.96	3.74	-65.69
C[C@@H]1[C@H](C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025078257	0	55	0.0	-71.99	428.73	2.34	-69.65
C[C@@H]1[C@H](C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025078257	1	55	0.0	-75.02	433.39	2.80	-72.22
C[N@H+](CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025078287	0	55	0.0	-68.39	438.41	3.38	-65.01
C[N@@H+](CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025078287	1	55	0.0	-68.40	438.31	3.37	-65.03
C[NH+]1CCC(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025078293	0	55	0.0	-74.06	436.77	3.05	-71.01
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078306	0	52	0.0	-70.25	410.65	1.95	-68.30
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078306	1	52	0.0	-67.30	417.51	2.53	-64.77
C[N@@H+]1CCCCC1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078349	0	55	0.0	-65.75	432.32	3.08	-62.67
C[N@H+]1CCCCC1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078349	1	55	0.0	-67.66	423.90	2.89	-64.77
CC1C(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025078378	0	55	0.0	-68.29	436.32	3.07	-65.22
CC1C(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025078378	1	55	0.0	-70.00	431.97	2.59	-67.41
C[C@@H](C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025078419	0	51	0.0	-69.74	408.40	1.67	-68.07
CC1(CNC(=O)CC[NH+]2CCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078437	0	55	0.0	-70.97	440.52	3.13	-67.84
C[N@H+](CCO)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078442	1	52	0.0	-70.55	420.27	-1.17	-71.72
C[N@@H+](CCO)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078442	1	52	0.0	-70.52	420.05	-1.18	-71.70
CC1C[NH+](CC(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025078485	1	52	0.0	-70.76	420.45	2.65	-68.11
CC[N@H+](C)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078517	0	51	0.0	-69.94	409.93	2.06	-67.88
CC[N@@H+](C)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078517	1	51	0.0	-69.87	409.92	2.06	-67.81
CC(CCC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025078570	0	57	0.0	-73.43	445.53	3.13	-70.30
CC[N@H+](CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025078575	0	55	0.0	-67.57	439.85	3.44	-64.13
CC[N@@H+](CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025078575	1	55	0.0	-67.48	438.55	3.38	-64.10
C[N@@H+]1CC2CC1(C(=O)NCC1(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025078588	0	53	0.0	-71.13	422.60	2.66	-68.47
C[N@H+]1CC2CC1(C(=O)NCC1(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025078588	1	53	0.0	-74.00	419.89	2.90	-71.10
CC(C[NH+](C)C)C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078597	0	54	0.0	-71.10	430.59	2.67	-68.43
C[NH+](C)C1(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025078603	0	52	0.0	-76.16	412.49	3.19	-72.97
C[C@H](C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025078613	0	51	0.0	-69.49	408.67	1.80	-67.69
CC[N@@H+]1CCC1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078616	1	52	0.0	-67.59	414.90	2.17	-65.42
CC[N@H+]1CCC1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078616	1	52	0.0	-69.47	421.93	2.31	-67.16
CC1(CNC(=O)C2=C[NH+]=CC=C2N)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078627	0	48	0.0	-70.25	398.94	-0.13	-70.38
CCCC(C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025078631	0	57	0.0	-68.74	447.32	3.33	-65.41
C[NH+](C)C(C)(C)C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078634	0	54	0.0	-70.35	419.43	2.58	-67.77
CC(CC[NH+](C)C)C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078643	0	57	0.0	-72.08	452.23	3.27	-68.81
CC1(CNC(=O)C[NH+]2CC3CC3C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078702	0	53	0.0	-70.15	427.52	3.28	-66.87
C[N@@H+]1CCCCC1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078710	0	55	0.0	-65.75	432.32	3.08	-62.67
C[N@H+]1CCCCC1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078710	1	55	0.0	-67.66	423.90	2.89	-64.77
C[N@@H+]1CCC(=CC(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025078735	0	53	0.0	-74.16	429.59	2.93	-71.23
C[N@H+]1CCC(=CC(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025078735	1	53	0.0	-73.80	430.16	3.01	-70.79
CC1(CNC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025078742	0	42	0.0	-23.32	369.09	-3.00	-26.32
CCC1C[NH+](CC(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025078758	1	55	0.0	-71.65	443.29	3.25	-68.40
C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078763	0	52	0.0	-66.62	417.05	2.41	-64.21
C[N@H+]1CCC[C@H]1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078763	1	52	0.0	-70.72	410.29	1.83	-68.89
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025078803	0	55	0.0	-70.85	440.35	3.12	-67.73
CC1(CNC(=O)C[NH+]2CCCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078844	0	55	0.0	-69.60	433.91	3.27	-66.33
C[N@@H+]1CCCC(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025078845	0	55	0.0	-71.31	435.25	3.02	-68.29
C[N@H+]1CCCC(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025078845	1	55	0.0	-72.28	434.90	3.12	-69.16
CN1C=C[N+](CC(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025078846	0	50	0.0	-68.99	421.89	4.90	-64.09
C[N@H+](CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025078856	0	52	0.0	-67.64	421.46	2.80	-64.84
C[N@@H+](CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025078856	1	52	0.0	-68.00	419.93	2.80	-65.20
CC(CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025078864	0	57	0.0	-72.70	447.68	3.40	-69.30
C[NH+]1CC(CC(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025078913	0	52	0.0	-71.48	422.10	2.22	-69.26
C[NH+](C)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078920	0	48	0.0	-70.73	392.19	1.39	-69.34
C[C@@H](C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025078928	0	51	0.0	-69.74	408.40	1.67	-68.07
CC(C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025078942	1	55	0.0	-67.56	439.05	2.93	-64.63
CC1CC[N@@H+]1CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078943	1	52	0.0	-68.67	415.99	2.12	-66.55
CC1CC[N@H+]1CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078943	1	52	0.0	-69.82	421.67	2.60	-67.22
C[NH+](C)CC=CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078945	0	52	0.0	-74.36	426.62	2.60	-71.76
CC[NH+](CC)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078962	0	54	0.0	-68.49	423.78	2.48	-66.01
CC[NH+](CC)CCC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078985	0	57	0.0	-70.45	450.14	3.33	-67.12
CC(C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025079013	1	52	0.0	-68.34	418.50	2.34	-66.00
C[NH+](C)CC(C)(C)C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025079017	0	57	0.0	-68.45	439.72	3.10	-65.35
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025079037	0	55	0.0	-68.78	423.30	2.81	-65.97
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025079037	1	55	0.0	-68.61	432.17	2.89	-65.72
C=CCC(C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025079056	0	55	0.0	-67.29	433.70	2.84	-64.45
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CSC(N)=[NH2+])C1	REAL300025079079	0	46	0.0	-75.52	398.58	-1.66	-77.18
CCC1C[NH+](CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025079134	0	55	0.0	-73.62	443.15	3.28	-70.34
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025079138	0	52	0.0	-67.40	416.38	2.23	-65.17
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025079138	1	52	0.0	-70.92	408.84	1.94	-68.98
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300025079145	0	55	0.0	-72.00	432.31	3.23	-68.77
CC1C(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025079149	0	55	0.0	-72.12	436.51	2.67	-69.45
CC1C(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025079149	1	55	0.0	-73.57	433.05	2.70	-70.87
C[N@@H+]1CCCC1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079295	0	55	0.0	-73.47	417.53	2.60	-70.87
C[N@H+]1CCCC1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079295	1	55	0.0	-71.78	417.55	2.60	-69.18
CCC(C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025079395	0	57	0.0	-69.91	427.78	3.08	-66.83
CCC[N@H+](C)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079400	0	57	0.0	-73.59	436.77	3.47	-70.12
CCC[N@@H+](C)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079400	1	57	0.0	-73.54	436.77	3.46	-70.08
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079408	0	55	0.0	-73.58	417.54	2.60	-70.98
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079408	1	55	0.0	-70.57	423.82	3.12	-67.45
CC[NH+](CC)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079413	0	57	0.0	-71.91	433.64	3.42	-68.49
CC[N@H+](C)CCC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079469	0	57	0.0	-74.80	437.64	3.28	-71.52
CC[N@@H+](C)CCC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079469	1	57	0.0	-74.89	437.64	3.27	-71.62
CC[C@@H](C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025079472	0	57	0.0	-70.05	428.19	3.05	-67.00
C[NH+](C)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079490	0	51	0.0	-73.92	397.54	2.06	-71.86
CC(C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025079494	1	55	0.0	-72.27	427.55	2.99	-69.28
C[N@H+](CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025079500	0	55	0.0	-70.75	426.80	3.46	-67.29
C[N@@H+](CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025079500	1	55	0.0	-70.50	426.81	3.46	-67.04
C[NH+]1CC(CC(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025079506	0	55	0.0	-73.72	428.99	2.88	-70.84
C[C@@H](C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025079513	0	54	0.0	-71.47	415.64	2.45	-69.02
CC1(CNC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025079516	0	45	0.0	-24.64	374.50	-2.35	-26.99
C[C@@H](C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025079534	0	54	0.0	-71.47	415.64	2.45	-69.02
C[C@H](C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025079563	0	54	0.0	-72.39	415.56	2.46	-69.93
CC1C[NH+](CC(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025079569	1	55	0.0	-74.20	427.61	3.20	-71.00
CC[N@H+](C)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079586	0	54	0.0	-73.21	415.27	2.72	-70.49
CC[N@@H+](C)CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079586	1	54	0.0	-73.21	415.27	2.73	-70.48
C[NH+](C)CC=CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079602	0	55	0.0	-76.95	433.51	3.26	-73.69
CC[N@@H+]1CCC1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079608	1	55	0.0	-71.30	422.30	2.79	-68.51
CC[N@H+]1CCC1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079608	1	55	0.0	-72.46	429.17	3.08	-69.38
C[NH+](C)C(C)(C)C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079621	0	57	0.0	-76.72	424.78	3.24	-73.48
C[NH+](C)C1(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025079643	0	55	0.0	-78.40	419.39	3.75	-74.65
CC(C[NH+](C)C)C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079665	0	57	0.0	-69.51	435.71	3.43	-66.08
CC1CC[N@@H+]1CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079674	1	55	0.0	-71.42	423.33	2.87	-68.55
CC1CC[N@H+]1CC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079674	1	55	0.0	-72.11	428.89	3.13	-68.98
C[N@@H+]1CCCC1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079783	0	55	0.0	-69.71	415.89	2.52	-67.19
C[N@H+]1CCCC1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079783	1	55	0.0	-71.57	416.00	2.49	-69.08
CCC(C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025079854	0	57	0.0	-69.88	427.51	2.97	-66.91
CCC[N@H+](C)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079858	0	57	0.0	-72.41	436.78	3.38	-69.03
CCC[N@@H+](C)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079858	1	57	0.0	-72.43	436.76	3.38	-69.05
CC[N@H+](C)CCC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079875	0	57	0.0	-74.18	437.65	3.24	-70.94
CC[N@@H+](C)CCC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079875	1	57	0.0	-74.09	437.64	3.23	-70.86
CC[C@@H](C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025079915	0	57	0.0	-71.09	428.00	3.01	-68.08
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079961	0	55	0.0	-69.81	415.98	2.51	-67.30
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079961	1	55	0.0	-69.12	419.01	2.73	-66.39
C[C@@H](C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025080015	0	54	0.0	-70.34	414.16	2.33	-68.01
CC1C[NH+](CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025080039	1	55	0.0	-72.42	428.82	3.04	-69.38
CC[N@H+](C)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080057	0	54	0.0	-72.05	415.26	2.63	-69.42
CC[N@@H+](C)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080057	1	54	0.0	-72.06	415.26	2.63	-69.43
CC(C[NH+](C)C)C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080087	0	57	0.0	-73.67	432.59	3.00	-70.67
C[NH+](C)C1(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025080090	0	55	0.0	-72.51	416.59	2.39	-70.12
C[C@H](C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025080094	0	54	0.0	-69.96	413.54	2.29	-67.67
CC[N@@H+]1CCC1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080097	0	55	0.0	-70.73	419.13	2.53	-68.20
CC[N@H+]1CCC1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080097	1	55	0.0	-71.51	428.58	2.93	-68.58
C[NH+](C)C(C)(C)C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080105	0	57	0.0	-73.67	417.89	2.42	-71.25
CC1(CNC(=O)CSC2=NC(=O)NN2)CCN(C(=O)CN=[N+]=[N-])CC1	REAL300025080151	0	45	0.0	-25.24	374.50	-2.43	-27.67
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080164	0	55	0.0	-69.23	419.72	2.78	-66.45
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080164	1	55	0.0	-69.81	415.93	2.49	-67.32
C[N@H+](CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025080201	0	55	0.0	-69.31	426.82	3.38	-65.93
C[N@@H+](CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025080201	1	55	0.0	-70.04	426.96	3.37	-66.67
C[NH+]1CC(CC(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025080229	0	55	0.0	-74.00	428.82	2.84	-71.16
C[NH+](C)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080232	0	51	0.0	-72.85	397.54	1.97	-70.88
C[C@@H](C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025080235	0	54	0.0	-70.34	414.16	2.33	-68.01
CC1CC[N@@H+]1CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080242	0	55	0.0	-71.03	428.86	3.05	-67.98
CC1CC[N@H+]1CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080242	1	55	0.0	-71.38	428.84	3.05	-68.33
C[NH+](C)CC=CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080243	0	55	0.0	-78.23	433.69	3.22	-75.01
CC[NH+](CC)CC(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080249	0	57	0.0	-70.62	429.12	3.04	-67.58
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025080250	1	52	0.0	-72.53	407.63	2.38	-70.15
CC(C(=O)N1CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025080272	0	55	0.0	-69.49	425.84	2.86	-66.63
C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080340	0	55	0.0	-69.76	424.08	3.08	-66.68
C[N@H+]1CCC[C@H]1C(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080340	1	55	0.0	-71.78	417.52	2.61	-69.17
C[N@@H+]1CCCC1C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080462	0	55	0.0	-62.50	425.47	3.44	-59.06
C[N@H+]1CCCC1C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080462	1	55	0.0	-64.32	419.83	3.04	-61.28
CCC(C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025080562	0	57	0.0	-64.28	432.44	3.64	-60.64
CCC[N@H+](C)CC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080567	0	57	0.0	-65.60	439.07	3.90	-61.70
CCC[N@@H+](C)CC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080567	1	57	0.0	-65.62	439.07	3.90	-61.72
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080575	0	55	0.0	-64.67	419.80	3.04	-61.63
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080575	1	55	0.0	-63.02	426.12	3.56	-59.46
CC[NH+](CC)CC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080580	0	57	0.0	-63.82	435.93	3.85	-59.97
CC[N@H+](C)CCC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080636	0	57	0.0	-67.04	439.93	3.70	-63.34
CC[N@@H+](C)CCC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080636	1	57	0.0	-67.11	439.93	3.69	-63.42
CC[C@@H](C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025080639	0	57	0.0	-63.38	430.48	3.49	-59.89
C[NH+](C)CC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080657	0	51	0.0	-66.17	399.84	2.48	-63.69
CC(C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025080661	1	55	0.0	-63.67	429.83	3.42	-60.25
C[N@H+](CC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025080667	0	55	0.0	-63.43	429.24	3.89	-59.54
C[N@@H+](CC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025080667	1	55	0.0	-63.04	429.11	3.89	-59.15
C[NH+]1CC(CC(=O)NCC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025080673	0	55	0.0	-67.42	431.28	3.31	-64.11
C[C@@H](C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025080680	0	54	0.0	-64.16	417.73	2.89	-61.27
CC1(CNC(=O)CN=[N+]=[N-])CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025080683	0	45	0.0	-21.73	376.79	-1.91	-23.64
C[C@@H](C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025080701	0	54	0.0	-64.16	417.73	2.89	-61.27
C[C@H](C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025080730	0	54	0.0	-64.35	417.97	2.91	-61.44
CC1C[NH+](CC(=O)NCC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025080736	1	55	0.0	-65.74	429.90	3.65	-62.09
CC[N@H+](C)CC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080753	0	54	0.0	-65.25	417.57	3.15	-62.10
CC[N@@H+](C)CC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080753	1	54	0.0	-65.23	417.57	3.15	-62.08
C[NH+](C)CC=CC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080769	0	55	0.0	-70.24	435.80	3.69	-66.55
CC[N@@H+]1CCC1C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080775	1	55	0.0	-63.86	423.68	3.35	-60.51
CC[N@H+]1CCC1C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080775	1	55	0.0	-64.20	431.47	3.51	-60.69
C[NH+](C)C(C)(C)C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080788	0	57	0.0	-64.89	427.32	3.65	-61.24
C[NH+](C)C1(C(=O)NCC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025080810	0	55	0.0	-64.78	422.32	4.20	-60.58
CC(C[NH+](C)C)C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080832	0	57	0.0	-67.12	438.26	3.75	-63.37
CC1CC[N@@H+]1CC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080841	1	55	0.0	-63.58	425.62	3.31	-60.27
CC1CC[N@H+]1CC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080841	1	55	0.0	-64.38	431.20	3.56	-60.82
C[N@@H+]1CCCC1C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080950	0	55	0.0	-70.43	419.32	3.14	-67.29
C[N@H+]1CCCC1C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080950	1	55	0.0	-72.00	417.94	2.95	-69.05
CCC(C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025081021	0	57	0.0	-69.65	423.92	3.23	-66.42
CCC[N@H+](C)CC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081025	0	57	0.0	-73.82	438.86	3.81	-70.01
CCC[N@@H+](C)CC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081025	1	57	0.0	-73.75	438.86	3.82	-69.93
CC[N@H+](C)CCC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081042	0	57	0.0	-75.76	439.72	3.66	-72.10
CC[N@@H+](C)CCC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081042	1	57	0.0	-75.78	439.72	3.67	-72.11
CC[C@@H](C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025081082	0	57	0.0	-71.79	430.03	3.47	-68.32
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081128	0	55	0.0	-71.77	418.23	2.94	-68.83
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081128	1	55	0.0	-70.45	422.35	3.26	-67.19
C[C@@H](C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025081182	0	54	0.0	-71.72	415.59	2.76	-68.96
CC1C[NH+](CC(=O)N2CCCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025081206	1	55	0.0	-74.31	429.84	3.56	-70.75
CC[N@H+](C)CC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081224	0	54	0.0	-73.40	417.32	3.06	-70.34
CC[N@@H+](C)CC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081224	1	54	0.0	-73.39	417.36	3.08	-70.31
CC(C[NH+](C)C)C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081254	0	57	0.0	-72.09	436.85	3.50	-68.59
C[NH+](C)C1(C(=O)N2CCCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025081257	0	55	0.0	-75.58	421.71	2.91	-72.67
C[C@H](C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025081261	0	54	0.0	-71.65	415.99	2.77	-68.88
CC[N@@H+]1CCC1C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081264	1	55	0.0	-71.63	421.20	2.98	-68.65
CC[N@H+]1CCC1C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081264	1	55	0.0	-72.95	430.66	3.37	-69.58
C[NH+](C)C(C)(C)C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081272	0	57	0.0	-75.10	420.60	3.11	-71.99
CC1(CNC(=O)CSC2=NC(=O)NN2)CCCN(C(=O)CN=[N+]=[N-])C1	REAL300025081318	0	45	0.0	-23.21	376.74	-2.03	-25.24
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081331	0	55	0.0	-70.48	425.13	3.33	-67.15
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081331	1	55	0.0	-72.31	418.16	2.93	-69.38
C[N@H+](CC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025081368	0	55	0.0	-70.50	428.85	3.82	-66.68
C[N@@H+](CC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025081368	1	55	0.0	-71.24	429.02	3.82	-67.42
C[NH+]1CC(CC(=O)N2CCCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025081396	0	55	0.0	-74.95	430.91	3.28	-71.67
C[NH+](C)CC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081399	0	51	0.0	-74.11	399.63	2.41	-71.70
C[C@@H](C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025081402	0	54	0.0	-71.72	415.59	2.76	-68.96
CC1CC[N@@H+]1CC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081409	1	55	0.0	-71.45	425.96	3.29	-68.16
CC1CC[N@H+]1CC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081409	1	55	0.0	-71.30	426.03	3.30	-68.00
C[NH+](C)CC=CC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081410	0	55	0.0	-77.35	435.95	3.65	-73.70
CC[NH+](CC)CC(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081416	0	57	0.0	-71.88	435.61	3.77	-68.11
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C[NH+]2CCC2)C1	REAL300025081417	1	52	0.0	-73.96	409.92	2.87	-71.09
CC(C(=O)N1CCCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025081439	1	55	0.0	-72.56	413.75	2.81	-69.75
C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081507	0	55	0.0	-62.57	425.51	3.45	-59.12
C[N@H+]1CCC[C@H]1C(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081507	1	55	0.0	-64.61	419.79	3.04	-61.57
C[N@@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025081622	0	53	0.0	-71.19	411.00	-0.40	-71.59
C[N@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025081622	1	53	0.0	-66.14	411.41	-0.35	-66.49
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025081715	0	53	0.0	-71.18	411.05	-0.36	-71.54
C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025081715	1	53	0.0	-66.30	417.26	0.21	-66.09
C[NH+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025081790	0	49	0.0	-67.97	391.37	-0.85	-68.82
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+]1CCC1	REAL300025081794	1	53	0.0	-64.69	421.41	0.14	-64.55
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)C1CC1	REAL300025081799	0	53	0.0	-65.04	420.64	0.56	-64.48
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)C1CC1	REAL300025081799	1	53	0.0	-64.88	420.78	0.56	-64.32
C[NH+]1CC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)C1	REAL300025081804	0	53	0.0	-67.58	422.82	-0.02	-67.60
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+](C)C	REAL300025081811	0	52	0.0	-68.53	409.51	-0.35	-68.88
[N-]=[N+]=NCC(=O)NCC1(NC(=O)CSC2=NC(=O)NN2)CCOCC1	REAL300025081814	0	43	0.0	-26.14	368.38	-5.22	-31.36
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+](C)C	REAL300025081831	0	52	0.0	-68.53	409.51	-0.35	-68.88
C[C@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+](C)C	REAL300025081851	0	52	0.0	-65.02	408.79	-0.31	-65.33
CC1C[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)C1	REAL300025081857	1	53	0.0	-69.57	421.29	0.33	-69.24
CC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025081872	0	52	0.0	-68.58	409.28	-0.16	-68.74
CC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025081872	1	52	0.0	-67.12	409.10	-0.17	-67.29
C[NH+](C)CC=CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025081887	0	53	0.0	-71.53	427.34	0.36	-71.17
CC[N@@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025081891	1	53	0.0	-65.99	415.80	-0.25	-66.24
CC[N@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025081891	1	53	0.0	-69.06	423.10	0.17	-68.89
C[NH+](C)C1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)CC1	REAL300025081920	0	53	0.0	-76.81	413.06	0.70	-76.11
CC1CC[N@@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025081943	1	53	0.0	-67.34	417.21	-0.01	-67.35
CC1CC[N@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025081943	1	53	0.0	-65.74	422.71	0.23	-65.51
C[N@@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082043	0	53	0.0	-67.66	417.76	0.21	-67.45
C[N@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082043	1	53	0.0	-69.42	411.35	-0.33	-69.75
C[N@@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082171	0	53	0.0	-73.44	410.81	-0.26	-73.70
C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082171	1	53	0.0	-65.92	417.86	0.16	-65.76
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+](C)C	REAL300025082213	0	52	0.0	-69.28	409.12	-0.36	-69.64
CC1C[NH+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)C1	REAL300025082234	1	53	0.0	-72.65	421.49	0.34	-72.31
CC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082249	0	52	0.0	-72.19	409.15	-0.14	-72.33
CC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082249	1	52	0.0	-72.07	409.16	-0.15	-72.22
C[C@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+](C)C	REAL300025082272	0	52	0.0	-71.58	409.64	-0.39	-71.97
CC[N@@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082274	1	53	0.0	-71.64	423.08	0.15	-71.49
CC[N@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082274	1	53	0.0	-70.48	423.19	0.20	-70.28
[N-]=[N+]=NCC(=O)NC1(CNC(=O)CSC2=NC(=O)NN2)CCOCC1	REAL300025082313	0	43	0.0	-25.39	368.38	-5.22	-30.61
C[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082321	0	53	0.0	-67.04	417.89	0.16	-66.88
C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082321	1	53	0.0	-73.54	409.13	-0.39	-73.93
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)C1CC1	REAL300025082347	0	53	0.0	-69.73	420.69	0.60	-69.13
C[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)C1CC1	REAL300025082347	1	53	0.0	-68.26	420.78	0.56	-67.70
C[NH+]1CC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)C1	REAL300025082366	0	53	0.0	-69.60	423.09	-0.01	-69.61
C[NH+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082369	0	49	0.0	-71.64	391.65	-0.82	-72.46
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+](C)C	REAL300025082372	0	52	0.0	-69.28	409.12	-0.36	-69.64
CC1CC[N@@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082377	1	53	0.0	-68.35	422.69	0.23	-68.12
CC1CC[N@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082377	1	53	0.0	-67.91	417.77	0.04	-67.87
C[NH+](C)CC=CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082378	0	53	0.0	-73.63	427.36	0.41	-73.22
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+]1CCC1	REAL300025082397	1	53	0.0	-69.13	419.83	0.27	-68.86
C[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082444	0	53	0.0	-66.83	417.12	0.13	-66.70
C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025082444	1	53	0.0	-71.32	411.70	-0.27	-71.59
C[NH+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(F)F	REAL300025082498	0	48	0.0	-67.57	397.23	1.65	-65.92
[N-]=[N+]=NCC(=O)NCC1CN(C(=O)CSC2=NC(=O)NN2)CCC1(F)F	REAL300025082503	0	42	0.0	-25.22	374.19	-2.74	-27.96
[N-]=[N+]=NCC(=O)N1CCC(F)(F)C(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025082572	1	42	0.0	-25.43	374.20	-2.86	-28.29
C[NH+](C)CC(=O)N1CCC(F)(F)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025082583	0	48	0.0	-79.14	394.83	1.81	-77.33
C[N@@H+]1CCCC1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025082746	0	50	0.0	-72.42	402.74	-1.79	-74.21
C[N@H+]1CCCC1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025082746	1	50	0.0	-71.14	403.75	-1.81	-72.95
CC1=[NH+]C=CN1CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025082897	1	48	0.0	-69.35	413.25	-0.81	-70.16
C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025082915	0	53	0.0	-73.99	421.35	-1.05	-75.04
C[C@@H]1[C@H](C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025082915	1	53	0.0	-73.18	426.68	-1.08	-74.26
C[NH+](C)C1(C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025082932	0	53	0.0	-73.72	416.33	-0.73	-74.45
C[N@H+](CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025082942	0	53	0.0	-70.66	430.02	-0.34	-71.00
C[N@@H+](CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025082942	1	53	0.0	-70.58	429.94	-0.45	-71.03
C[NH+]1CCC(C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025082963	0	53	0.0	-75.21	428.41	-0.76	-75.97
C[N@@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025082969	0	53	0.0	-70.13	416.45	-0.90	-71.03
C[N@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025082969	1	53	0.0	-70.88	416.44	-0.84	-71.72
CC1=C[NH+]=CN1CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025082986	1	48	0.0	-71.52	413.58	-0.08	-71.60
C[N@@H+]1CCC(CC(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025082995	0	53	0.0	-75.47	429.21	-0.74	-76.21
C[N@H+]1CCC(CC(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025082995	1	53	0.0	-74.41	429.59	-0.77	-75.18
CCC(C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025082998	0	52	0.0	-70.48	416.46	-1.18	-71.66
CCC[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083014	0	52	0.0	-72.77	423.03	-0.92	-73.69
CCC[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083014	1	52	0.0	-72.84	423.04	-0.91	-73.75
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083028	0	50	0.0	-71.13	403.75	-1.77	-72.90
C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083028	1	50	0.0	-69.73	408.94	-1.26	-70.99
CC[NH+](CC)CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083040	0	52	0.0	-71.03	415.39	-1.25	-72.28
C[NH+](C)CC1(C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025083092	0	53	0.0	-74.38	435.62	-0.56	-74.94
C[NH+]1CCC(C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025083113	0	53	0.0	-75.21	428.41	-0.76	-75.97
CC[N@H+](C)CCC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083150	0	52	0.0	-73.70	423.90	-1.11	-74.81
CC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083150	1	52	0.0	-73.58	423.90	-1.11	-74.69
CC1CCC[N@@H+]1CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083158	0	53	0.0	-69.46	422.57	-0.94	-70.40
CC1CCC[N@H+]1CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083158	1	53	0.0	-69.37	422.50	-0.94	-70.31
CC1CC[N@H+](CC(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025083159	0	53	0.0	-71.94	429.99	-0.60	-72.54
CC1CC[N@@H+](CC(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025083159	1	53	0.0	-71.92	429.20	-0.64	-72.56
CC[C@@H](C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025083161	0	52	0.0	-70.09	413.99	-1.30	-71.39
C[NH+](C)CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083192	0	46	0.0	-73.09	383.80	-2.33	-75.42
CN1C=C[N+](CC(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025083193	0	48	0.0	-70.47	415.04	1.17	-69.30
C[N@@H+]1CCCC(C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025083196	0	53	0.0	-72.85	428.46	-0.69	-73.54
C[N@H+]1CCCC(C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025083196	1	53	0.0	-67.49	422.09	-0.49	-67.98
CC(C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025083203	1	50	0.0	-70.10	412.00	-1.27	-71.37
C[N@H+](CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025083211	0	50	0.0	-70.42	413.21	-0.92	-71.34
C[N@@H+](CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025083211	1	50	0.0	-70.01	413.08	-0.92	-70.93
C[NH+]1CC(CC(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025083221	0	50	0.0	-72.92	414.27	-1.52	-74.44
C[C@@H](C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025083232	0	49	0.0	-71.44	401.01	-1.99	-73.43
[N-]=[N+]=NCC(=O)NCC1(O)CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025083239	0	40	0.0	-24.93	360.77	-6.73	-31.66
C[C@@H](C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025083270	0	49	0.0	-71.44	401.01	-1.99	-73.43
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083273	0	53	0.0	-70.56	416.50	-0.90	-71.46
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083273	1	53	0.0	-69.08	425.77	-0.74	-69.82
C[N@@H+]1CCC(=CC(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025083305	0	51	0.0	-75.78	422.65	-0.78	-76.56
C[N@H+]1CCC(=CC(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025083305	1	51	0.0	-75.50	422.78	-0.82	-76.32
C[C@H](C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025083322	0	49	0.0	-70.81	401.83	-1.92	-72.73
CC1C[NH+](CC(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025083336	1	50	0.0	-73.12	412.99	-1.22	-74.34
C[N@H+](CCO)CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083349	1	50	0.0	-73.27	411.89	-4.90	-78.17
C[N@@H+](CCO)CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083349	1	50	0.0	-72.74	411.67	-4.90	-77.64
CC[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083361	0	49	0.0	-72.31	401.53	-1.65	-73.96
CC[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083361	1	49	0.0	-72.31	401.54	-1.66	-73.97
CC[N@H+](CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025083371	0	53	0.0	-68.94	431.56	-0.36	-69.30
CC[N@@H+](CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025083371	1	53	0.0	-69.78	429.85	-0.31	-70.09
C[NH+](C)CC=CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083390	0	50	0.0	-76.29	419.77	-1.11	-77.40
CC[N@@H+]1CCC1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083407	1	50	0.0	-71.44	406.55	-1.45	-72.89
CC[N@H+]1CCC1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083407	1	50	0.0	-71.24	415.44	-1.30	-72.54
C=CCC(C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025083426	0	53	0.0	-68.74	425.88	-0.89	-69.63
O=C(C[NH+]1CC2CC2C1)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083433	0	51	0.0	-72.35	419.15	-0.54	-72.89
C[NH+](C)C(C)(C)C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083438	0	52	0.0	-73.51	410.07	-1.16	-74.67
C[N@@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083448	0	53	0.0	-70.13	416.45	-0.90	-71.03
C[N@H+]1CCCCC1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083448	1	53	0.0	-70.88	416.44	-0.84	-71.72
C[NH+](C)C1(C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025083480	0	50	0.0	-72.93	410.56	-1.64	-74.57
O=C(CC[NH+]1CCCC1)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083481	0	53	0.0	-73.60	430.52	-0.72	-74.32
C[N@@H+]1CC2CC1(C(=O)NCC1(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025083491	1	51	0.0	-72.30	416.16	-1.14	-73.44
C[N@H+]1CC2CC1(C(=O)NCC1(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025083491	1	51	0.0	-72.15	416.17	-1.15	-73.30
CC(C[NH+](C)C)C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083525	0	52	0.0	-73.37	422.19	-1.05	-74.42
CC(C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025083544	1	53	0.0	-69.51	431.66	-0.72	-70.23
CC1CC[N@@H+]1CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083545	1	50	0.0	-71.16	415.03	-1.25	-72.41
CC1CC[N@H+]1CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083545	1	50	0.0	-71.87	414.05	-1.23	-73.10
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025083573	0	53	0.0	-74.05	432.55	-0.61	-74.66
C[N@@H+]1CCCC1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083733	0	50	0.0	-72.95	401.07	-1.89	-74.84
C[N@H+]1CCCC1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083733	1	50	0.0	-71.47	404.10	-1.68	-73.15
C[N@@H+]1CCC(CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025083900	0	53	0.0	-77.16	430.88	-0.72	-77.88
C[N@H+]1CCC(CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025083900	1	53	0.0	-77.23	430.59	-0.74	-77.97
CCC(C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025083903	0	52	0.0	-72.47	414.42	-1.32	-73.79
CCC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083915	0	52	0.0	-73.82	423.14	-0.94	-74.76
CCC[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083915	1	52	0.0	-73.80	423.15	-0.96	-74.76
C[NH+](C)CC1(C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025083951	0	53	0.0	-76.30	430.82	-0.82	-77.12
CC[N@H+](C)CCC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083956	0	52	0.0	-76.31	424.07	-1.12	-77.43
CC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025083956	1	52	0.0	-76.27	424.08	-1.13	-77.40
C[NH+]1CCC(C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025083978	0	53	0.0	-79.27	428.23	-0.84	-80.11
C[NH+](C)C1(C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025084010	0	53	0.0	-76.70	411.84	-1.19	-77.89
CC1CCC[N@@H+]1CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084032	0	53	0.0	-71.52	427.09	-0.66	-72.18
CC1CCC[N@H+]1CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084032	1	53	0.0	-71.41	427.94	-0.59	-72.00
CC1CC[N@H+](CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025084049	0	53	0.0	-72.78	429.24	-0.68	-73.46
CC1CC[N@@H+](CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025084049	1	53	0.0	-73.33	428.09	-0.73	-74.06
CC[C@@H](C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025084051	0	52	0.0	-73.08	414.98	-1.33	-74.41
CC1=[NH+]C=CN1CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084086	1	48	0.0	-70.83	413.32	-0.76	-71.59
CC1=C[NH+]=CN1CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084104	1	48	0.0	-73.87	413.67	-0.02	-73.89
C[C@@H]1[C@H](C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025084105	0	53	0.0	-76.18	420.29	-1.10	-77.28
C[C@@H]1[C@H](C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025084105	1	53	0.0	-77.69	425.46	-1.11	-78.80
C[N@H+](CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025084132	0	53	0.0	-71.41	430.01	-0.39	-71.80
C[N@@H+](CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025084132	1	53	0.0	-71.80	430.15	-0.36	-72.16
C[NH+]1CCC(C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025084137	0	53	0.0	-79.27	428.23	-0.84	-80.11
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084149	0	50	0.0	-73.32	402.55	-1.98	-75.30
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084149	1	50	0.0	-71.52	406.13	-1.54	-73.06
C[N@@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084189	0	53	0.0	-73.34	416.16	-1.07	-74.41
C[N@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084189	1	53	0.0	-70.75	423.12	-0.90	-71.65
CC1C(C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025084217	0	53	0.0	-73.76	425.21	-1.01	-74.77
CC1C(C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025084217	1	53	0.0	-78.41	419.34	-1.38	-79.79
C[C@@H](C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025084254	0	49	0.0	-72.69	400.77	-2.06	-74.75
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300025084271	0	53	0.0	-75.73	432.31	-0.61	-76.34
C[N@H+](CCO)CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084276	1	50	0.0	-74.78	410.71	-4.94	-79.72
C[N@@H+](CCO)CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084276	1	50	0.0	-74.15	411.79	-4.94	-79.09
CC1C[NH+](CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025084314	1	50	0.0	-74.02	415.21	-1.27	-75.29
CC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084343	0	49	0.0	-73.51	401.64	-1.70	-75.21
CC[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084343	1	49	0.0	-73.41	401.64	-1.69	-75.10
CC[N@H+](CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025084396	0	53	0.0	-70.34	433.13	-0.32	-70.66
CC[N@@H+](CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025084396	1	53	0.0	-70.85	430.03	-0.35	-71.20
C[N@@H+]1CC2CC1(C(=O)N1CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025084408	0	51	0.0	-77.30	405.39	-1.14	-78.44
C[N@H+]1CC2CC1(C(=O)N1CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025084408	1	51	0.0	-75.81	410.64	-1.40	-77.21
CC(C[NH+](C)C)C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084417	0	52	0.0	-76.42	418.63	-1.35	-77.77
C[NH+](C)C1(C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025084423	0	50	0.0	-76.41	404.49	-1.79	-78.20
C[C@H](C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025084432	0	49	0.0	-72.08	399.90	-2.06	-74.14
CC[N@@H+]1CCC1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084435	1	50	0.0	-73.79	415.53	-1.52	-75.31
CC[N@H+]1CCC1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084435	1	50	0.0	-71.43	407.49	-1.77	-73.20
NC1=CC=[NH+]C=C1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084445	0	46	0.0	-75.33	392.15	-4.44	-79.77
C[NH+](C)C(C)(C)C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084451	0	52	0.0	-76.33	403.00	-1.78	-78.11
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025084512	0	51	0.0	-73.76	419.38	-0.48	-74.24
C[N@@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084518	0	53	0.0	-73.34	416.16	-1.07	-74.41
C[N@H+]1CCCCC1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084518	1	53	0.0	-70.75	423.12	-0.90	-71.65
C[N@@H+]1CCC(=CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025084539	0	51	0.0	-77.24	421.93	-0.86	-78.10
C[N@H+]1CCC(=CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025084539	1	51	0.0	-77.27	421.98	-0.84	-78.11
[N-]=[N+]=NCC(=O)N1CCC(O)(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025084546	0	40	0.0	-25.46	360.76	-6.87	-32.33
CCC1C[NH+](CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025084560	1	53	0.0	-75.02	436.58	-0.51	-75.53
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084565	0	50	0.0	-70.70	405.23	-1.61	-72.31
C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084565	1	50	0.0	-73.03	402.39	-1.84	-74.87
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025084598	0	53	0.0	-75.78	433.47	-0.64	-76.42
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300025084636	0	53	0.0	-73.18	425.72	-0.50	-73.68
C[N@@H+]1CCCC(C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025084637	0	53	0.0	-76.38	428.18	-0.81	-77.19
C[N@H+]1CCCC(C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025084637	1	53	0.0	-75.07	418.06	-0.95	-76.02
CN1C=C[N+](CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025084638	0	48	0.0	-71.81	415.22	1.14	-70.67
C[N@H+](CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025084648	0	50	0.0	-71.29	412.03	-1.00	-72.29
C[N@@H+](CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025084648	1	50	0.0	-71.30	413.39	-0.95	-72.25
C[NH+]1CC(CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025084697	0	50	0.0	-75.91	415.27	-1.53	-77.44
C[NH+](C)CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084703	0	46	0.0	-74.27	383.98	-2.37	-76.64
C[C@@H](C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025084711	0	49	0.0	-72.69	400.77	-2.06	-74.75
CC(C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025084725	0	53	0.0	-69.61	431.55	-0.81	-70.42
CC1CC[N@@H+]1CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084726	1	50	0.0	-72.78	415.17	-1.28	-74.06
CC1CC[N@H+]1CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084726	1	50	0.0	-72.23	408.34	-1.66	-73.89
C[NH+](C)CC=CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084728	0	50	0.0	-78.13	419.03	-1.20	-79.33
CC1(C)C[NH+](CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025084732	1	53	0.0	-74.11	434.50	-0.75	-74.86
CC[NH+](CC)CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084744	0	52	0.0	-71.95	415.57	-1.29	-73.24
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C[NH+]2CCC2)C1	REAL300025084749	1	47	0.0	-74.17	394.22	-1.89	-76.06
CC(C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025084788	1	50	0.0	-71.50	405.63	-1.79	-73.29
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084809	0	53	0.0	-73.08	416.24	-1.11	-74.19
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084809	1	53	0.0	-69.97	423.47	-0.88	-70.85
C=CCC(C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025084828	0	53	0.0	-69.45	424.14	-1.04	-70.49
NC(=[NH2+])SCC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084849	0	44	0.0	-73.68	391.72	-5.38	-79.06
CCC1C[NH+](CC(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025084898	1	53	0.0	-73.55	436.13	-0.49	-74.04
C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084902	0	50	0.0	-69.09	408.71	-1.36	-70.45
C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084902	1	50	0.0	-70.17	402.94	-1.89	-72.06
O=C(C[NH+]1CCCCC1)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025084908	0	53	0.0	-71.78	425.54	-0.55	-72.33
CC1C(C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025084912	0	53	0.0	-70.82	429.92	-0.76	-71.58
CC1C(C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025084912	1	53	0.0	-75.28	420.49	-1.36	-76.64
C[N@@H+]1CCCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085112	0	47	0.0	-76.92	388.16	-2.49	-79.41
C[N@H+]1CCCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085112	1	47	0.0	-77.12	388.24	-2.49	-79.61
C[N@@H+]1CCOC(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025085136	1	48	0.0	-86.87	405.91	-2.62	-89.49
C[N@H+]1CCOC(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025085136	1	48	0.0	-86.84	405.19	-2.55	-89.39
CC(C)[N@@H+]1CCCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085279	0	53	0.0	-72.60	430.02	-0.85	-73.45
CC(C)[N@H+]1CCCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085279	1	53	0.0	-75.25	420.96	-0.83	-76.08
CC1=[NH+]C=CN1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085301	1	45	0.0	-74.62	397.57	-1.50	-76.12
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2C[NH+]3CCC2CC3)C1	REAL300025085319	0	51	0.0	-81.72	408.75	-1.26	-82.98
C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025085345	0	50	0.0	-78.18	406.07	-1.86	-80.04
C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025085345	1	50	0.0	-78.69	410.94	-1.87	-80.56
CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025085347	0	53	0.0	-77.87	424.56	-1.36	-79.23
CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025085347	1	53	0.0	-77.48	429.50	-0.95	-78.43
CC1CCC(C)[NH+]1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085394	0	53	0.0	-74.54	426.10	-0.98	-75.52
O=C(CCC[NH+]1CCCC1)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085396	0	53	0.0	-77.52	437.35	-0.51	-78.03
O=C(CC[NH+]1CCCCC1)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085398	0	53	0.0	-78.27	432.24	-0.62	-78.89
CC[N@@H+]1CCCCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085401	0	53	0.0	-73.69	427.66	-0.78	-74.47
CC[N@H+]1CCCCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085401	1	53	0.0	-74.28	417.93	-0.90	-75.18
C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025085410	0	50	0.0	-80.26	405.84	-1.75	-82.01
CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025085416	0	52	0.0	-75.85	417.33	-0.89	-76.74
C[N@H+](CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025085434	0	50	0.0	-76.38	414.24	-1.14	-77.52
C[N@@H+](CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025085434	1	50	0.0	-76.56	414.38	-1.12	-77.68
C[N@@H+]1CCCC1CCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085489	0	53	0.0	-79.03	431.80	-0.70	-79.73
C[N@H+]1CCCC1CCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085489	1	53	0.0	-76.26	430.16	-1.03	-77.29
C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025085505	0	50	0.0	-80.28	412.79	-1.38	-81.66
C[N@@H+]1CCCCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085528	0	50	0.0	-74.82	409.58	-1.39	-76.21
C[N@H+]1CCCCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085528	1	50	0.0	-75.58	400.47	-1.58	-77.16
CC1=C[NH+]=CN1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085586	1	45	0.0	-77.17	396.95	-0.75	-77.92
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C23CCC[NH+]2CCC3)C1	REAL300025085602	0	51	0.0	-77.80	413.16	-1.10	-78.90
C[N@@H+]1CCC(CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025085607	0	50	0.0	-78.45	415.49	-1.51	-79.96
C[N@H+]1CCC(CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025085607	1	50	0.0	-79.17	414.95	-1.49	-80.66
CCC(C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025085613	0	49	0.0	-75.47	398.64	-2.06	-77.53
C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085654	0	52	0.0	-78.66	432.89	-0.90	-79.56
CC(C)C(C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025085664	0	52	0.0	-75.99	417.59	-0.89	-76.88
CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085665	0	52	0.0	-79.47	429.83	-1.09	-80.56
CCC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085665	1	52	0.0	-79.40	429.83	-1.09	-80.49
CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085668	0	49	0.0	-78.47	407.37	-1.70	-80.17
CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085668	1	49	0.0	-78.41	407.37	-1.70	-80.11
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025085677	0	51	0.0	-82.95	408.69	-1.67	-84.62
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025085677	1	51	0.0	-77.38	410.38	-1.86	-79.24
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085698	0	47	0.0	-77.10	387.83	-2.47	-79.57
C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085698	1	47	0.0	-74.66	393.22	-1.96	-76.62
CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085725	0	49	0.0	-76.65	399.11	-1.97	-78.62
CC1CC[NH+](CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025085778	0	53	0.0	-78.88	431.10	-0.62	-79.50
C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025085796	0	50	0.0	-81.60	415.41	-1.20	-82.80
C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025085842	0	50	0.0	-80.28	412.79	-1.38	-81.66
CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025085857	0	52	0.0	-75.85	417.68	-0.82	-76.67
CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085913	0	49	0.0	-78.72	408.24	-1.90	-80.62
CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085913	1	49	0.0	-78.63	408.33	-1.82	-80.45
CC1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085935	0	50	0.0	-74.83	407.21	-1.69	-76.52
CC1CCC[N@H+]1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025085935	1	50	0.0	-75.13	406.80	-1.73	-76.86
CC1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025085936	0	50	0.0	-77.17	414.49	-1.40	-78.57
CC1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025085936	1	50	0.0	-77.65	413.74	-1.34	-78.99
CC1(C)CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025085937	0	53	0.0	-77.67	433.15	-0.86	-78.53
CC1(C)CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025085937	1	53	0.0	-77.66	432.41	-0.80	-78.46
CC[C@@H](C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025085944	0	49	0.0	-76.29	400.88	-1.89	-78.18
C[NH+](C)CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086014	0	43	0.0	-78.61	367.52	-3.05	-81.66
O=C(C[NH+]1CCCCCC1)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086017	0	53	0.0	-78.07	419.22	-1.06	-79.13
CN1C=C[N+](CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025086019	0	45	0.0	-75.89	399.37	0.39	-75.50
C[N@@H+]1CCCC(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086022	0	50	0.0	-77.41	413.06	-1.46	-78.87
C[N@H+]1CCCC(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086022	1	50	0.0	-71.94	406.84	-1.25	-73.19
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025086027	0	51	0.0	-72.75	425.02	-0.54	-73.29
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025086027	1	51	0.0	-72.66	420.57	-0.76	-73.42
CC(C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025086037	1	47	0.0	-75.98	398.27	-2.10	-78.08
C[NH+](C)CC(C)(C)C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086045	0	52	0.0	-73.66	415.79	-1.35	-75.01
C[N@H+](CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025086056	0	47	0.0	-75.44	397.50	-1.64	-77.08
C[N@@H+](CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025086056	1	47	0.0	-75.34	397.51	-1.64	-76.98
C[NH+]1CC(CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086070	0	47	0.0	-77.97	399.66	-2.22	-80.19
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086080	0	53	0.0	-74.05	430.14	-1.36	-75.41
CC(C)(C)[N@H+]1CCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086080	1	53	0.0	-74.76	414.04	-1.92	-76.68
C[C@@H](C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025086089	0	46	0.0	-76.36	386.13	-2.63	-78.99
[N-]=[N+]=NCC(=O)NCC1(O)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025086096	0	37	0.0	-27.65	345.11	-7.52	-35.17
[NH2+]=C1SC=CN1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086137	0	43	0.0	-74.41	395.21	-2.94	-77.35
C[N@H+](CCO)CCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086142	0	50	0.0	-78.64	418.59	-5.13	-83.77
C[N@@H+](CCO)CCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086142	1	50	0.0	-78.09	418.64	-5.06	-83.15
C[C@@H](C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025086143	0	46	0.0	-76.36	386.13	-2.63	-78.99
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086146	0	50	0.0	-75.70	400.88	-1.62	-77.32
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086146	1	50	0.0	-74.84	410.46	-1.49	-76.33
C[N@@H+]1CCC(=CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086202	0	48	0.0	-79.64	407.35	-1.54	-81.18
C[N@H+]1CCC(=CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086202	1	48	0.0	-79.75	406.98	-1.58	-81.33
C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086220	0	50	0.0	-77.17	423.40	-1.99	-79.16
C=CCC(C)(C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025086231	0	53	0.0	-71.67	423.61	-1.10	-72.77
CC1CN(CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086262	0	47	0.0	-78.56	398.22	-1.96	-80.52
CC1C[NH+](CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086262	1	47	0.0	-78.56	398.22	-1.96	-80.52
CN(CCO)CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086278	0	47	0.0	-78.73	396.22	-5.69	-84.42
C[N@H+](CCO)CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086278	1	47	0.0	-78.35	396.09	-5.62	-83.97
C[N@@H+](CCO)CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086278	1	47	0.0	-78.35	396.09	-5.62	-83.97
CC[N@@H+]1CCCC(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086295	0	53	0.0	-71.53	424.21	-0.55	-72.08
CC[N@H+]1CCCC(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086295	1	53	0.0	-71.53	424.21	-0.55	-72.08
CC(CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025086297	0	52	0.0	-78.43	424.71	-1.05	-79.48
CC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086300	0	46	0.0	-77.99	385.87	-2.45	-80.44
CC[N@H+](CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025086323	0	50	0.0	-76.52	409.63	-1.14	-77.66
CC[NH+](CC)CCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086331	0	52	0.0	-77.86	425.48	-1.13	-78.99
C[NH+](C)CC=CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086359	0	47	0.0	-80.57	405.37	-1.87	-82.44
COCCN(C)CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086372	0	50	0.0	-78.34	418.26	-3.29	-81.63
COCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086372	1	50	0.0	-78.97	418.47	-3.28	-82.25
COCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086372	1	50	0.0	-78.97	418.47	-3.28	-82.25
C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025086388	0	53	0.0	-72.32	416.79	-0.88	-73.20
CC(CCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025086390	0	52	0.0	-76.76	424.87	-1.30	-78.06
CCN1CCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086396	0	47	0.0	-76.33	392.11	-2.19	-78.52
CC[N@@H+]1CCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086396	1	47	0.0	-76.77	399.15	-2.02	-78.79
CC[N@H+]1CCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086396	1	47	0.0	-76.77	399.15	-2.02	-78.79
C[NH+]1CCC(C)(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025086420	0	53	0.0	-75.86	425.75	-1.00	-76.86
C=CCC(C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025086436	0	50	0.0	-76.62	414.76	-1.45	-78.07
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086443	0	53	0.0	-75.04	434.20	-0.86	-75.90
CCCC(C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025086460	0	52	0.0	-76.82	420.17	-1.36	-78.18
C[NH+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086463	0	49	0.0	-79.93	395.75	-1.89	-81.82
C[N@@H+]1CCCCC1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086483	0	50	0.0	-75.58	400.47	-1.58	-77.16
C[N@H+]1CC=C(CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025086502	0	51	0.0	-74.92	427.28	-0.79	-75.71
C[N@@H+]1CC=C(CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025086502	1	51	0.0	-74.92	427.28	-0.79	-75.71
O=C(C=CC[NH+]1CCCC1)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086531	0	51	0.0	-79.53	430.54	-0.64	-80.17
O=C(CC[NH+]1CCCC1)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086556	0	50	0.0	-78.20	416.57	-1.31	-79.51
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2C[NH+]3CCN2CC3)C1	REAL300025086576	0	50	0.0	-83.13	404.84	-4.60	-87.73
CN1CC2CC1(C(=O)NCC1(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025086580	0	48	0.0	-78.95	400.35	-1.97	-80.92
C[N@@H+]1CC2CC1(C(=O)NCC1(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025086580	1	48	0.0	-79.10	397.74	-1.69	-80.79
C[N@H+]1CC2CC1(C(=O)NCC1(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025086580	1	48	0.0	-79.10	397.74	-1.69	-80.79
O=C(C[N@@H+]1CC2CCC1C2)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086585	0	51	0.0	-75.48	412.60	-1.13	-76.61
CC(C[NH+](C)C)C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086646	0	49	0.0	-73.42	405.82	-1.73	-75.15
C[N@@H+]1CCCCC1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086682	0	53	0.0	-79.16	427.76	-0.89	-80.05
C[N@H+]1CCCCC1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086682	1	53	0.0	-79.16	427.76	-0.89	-80.05
CC(C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300025086691	0	50	0.0	-75.15	417.44	-1.34	-76.49
CC(C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025086691	1	50	0.0	-75.15	417.44	-1.34	-76.49
CC1CCN1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086693	0	47	0.0	-76.00	393.34	-2.22	-78.22
CC1CC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086693	1	47	0.0	-77.02	398.87	-1.96	-78.98
CC1CC[N@H+]1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086693	1	47	0.0	-77.02	398.87	-1.96	-78.98
C[NH+](C)CC(O)CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086695	0	50	0.0	-81.41	420.84	-4.11	-85.52
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086747	0	50	0.0	-77.32	417.17	-1.26	-78.58
CC(CC[NH+](C)C)C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086751	0	52	0.0	-77.76	428.18	-1.23	-78.99
CN1CCN(CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025086766	0	52	0.0	-77.06	427.64	-3.53	-80.59
C[NH+]1CCN(CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025086766	1	52	0.0	-77.06	427.64	-3.53	-80.59
C[N@@H+]1CCCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086935	0	47	0.0	-72.48	386.72	-2.56	-75.04
CN1CCOC(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086961	0	48	0.0	-77.90	395.67	-2.88	-80.78
C[N@@H+]1CCOC(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086961	1	48	0.0	-75.71	393.63	-2.89	-78.60
C[N@H+]1CCOC(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025086961	1	48	0.0	-75.71	393.63	-2.89	-78.60
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300025087117	0	51	0.0	-68.89	408.05	-1.51	-70.40
C[N@@H+]1CCC(CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025087138	0	50	0.0	-76.98	414.95	-1.50	-78.48
C[N@H+]1CCC(CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025087138	1	50	0.0	-76.98	414.95	-1.50	-78.48
CCC(C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025087144	0	49	0.0	-70.69	398.03	-2.13	-72.82
C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087173	0	52	0.0	-77.06	433.60	-0.92	-77.98
CC(C)C(C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025087185	0	52	0.0	-71.44	413.70	-1.19	-72.63
CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087186	0	52	0.0	-75.85	429.74	-1.16	-77.01
CCC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087186	1	52	0.0	-75.97	429.83	-1.10	-77.07
CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087189	0	49	0.0	-72.82	407.35	-1.70	-74.52
CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087189	1	49	0.0	-72.94	407.74	-1.70	-74.64
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025087198	0	51	0.0	-74.95	404.94	-2.12	-77.07
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025087198	1	51	0.0	-75.49	405.15	-2.18	-77.67
CC1CC[NH+](CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025087222	0	53	0.0	-72.89	430.82	-0.58	-73.47
C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025087259	0	50	0.0	-74.89	413.85	-1.57	-76.46
CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087276	0	49	0.0	-75.14	408.21	-1.90	-77.04
CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087276	1	49	0.0	-75.25	408.33	-1.84	-77.09
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300025087287	0	51	0.0	-79.89	407.53	-1.33	-81.22
C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025087324	0	50	0.0	-78.77	410.47	-1.66	-80.43
CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025087339	0	52	0.0	-70.68	410.93	-1.64	-72.32
C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025087399	0	50	0.0	-75.34	398.71	-1.88	-77.22
CC1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087433	0	50	0.0	-69.99	413.52	-1.33	-71.32
CC1CCC[N@H+]1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087433	1	50	0.0	-69.32	406.93	-1.76	-71.08
CC(C)[N@@H+]1CCCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087459	0	53	0.0	-70.46	419.16	-0.77	-71.23
CC(C)[N@H+]1CCCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087459	1	53	0.0	-68.70	425.85	-0.98	-69.68
CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025087466	0	52	0.0	-70.49	413.15	-1.44	-71.93
CC1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025087476	0	50	0.0	-71.49	414.27	-1.48	-72.97
CC1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025087476	1	50	0.0	-71.83	413.57	-1.39	-73.22
CC1(C)CC[N@H+](CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025087477	0	53	0.0	-71.91	433.70	-0.88	-72.79
CC1(C)CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025087477	1	53	0.0	-71.73	433.11	-0.83	-72.56
CC[C@@H](C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025087484	0	49	0.0	-69.85	398.16	-2.08	-71.93
CC1=[NH+]C=CN1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087562	1	45	0.0	-70.53	397.90	-1.50	-72.03
CC1=C[NH+]=CN1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087620	1	45	0.0	-72.74	396.83	-0.82	-73.56
C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025087624	0	50	0.0	-75.31	405.35	-1.77	-77.08
C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025087624	1	50	0.0	-76.30	411.10	-1.87	-78.17
CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025087626	0	53	0.0	-75.21	421.20	-1.57	-76.78
CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025087626	1	53	0.0	-73.00	426.01	-1.04	-74.04
CC1CCC(C)[NH+]1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087631	0	53	0.0	-69.00	425.40	-1.05	-70.05
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300025087633	0	53	0.0	-75.02	438.06	-0.53	-75.55
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300025087636	0	53	0.0	-74.52	432.23	-0.62	-75.14
CC[N@@H+]1CCCCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087639	0	53	0.0	-68.98	415.62	-1.21	-70.19
CC[N@H+]1CCCCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087639	1	53	0.0	-68.91	416.27	-1.29	-70.20
C[N@H+](CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025087716	0	50	0.0	-70.77	414.33	-1.08	-71.85
C[N@@H+](CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025087716	1	50	0.0	-70.95	414.74	-1.12	-72.07
C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025087736	0	50	0.0	-78.77	410.47	-1.66	-80.43
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087758	0	47	0.0	-71.53	386.59	-2.56	-74.09
C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087758	1	47	0.0	-70.44	389.61	-2.18	-72.62
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087775	1	49	0.0	-69.70	413.82	-1.41	-71.11
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087775	1	49	0.0	-70.48	416.39	-0.91	-71.39
C[N@@H+]1CCCC1CCC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087780	0	53	0.0	-73.78	429.42	-1.02	-74.80
C[N@H+]1CCCC1CCC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087780	1	53	0.0	-73.85	430.18	-1.02	-74.87
C[N@@H+]1CCCCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087839	0	50	0.0	-69.58	409.75	-1.53	-71.11
C[N@H+]1CCCCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087839	1	50	0.0	-70.63	398.34	-1.89	-72.52
CC1C(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025087884	0	50	0.0	-74.50	411.39	-1.74	-76.24
CC1C(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025087884	1	50	0.0	-74.87	408.94	-1.43	-76.30
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087931	0	53	0.0	-69.94	429.48	-1.42	-71.36
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087931	1	53	0.0	-70.05	428.74	-1.35	-71.40
C[C@@H](C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025087943	0	46	0.0	-71.42	385.67	-2.75	-74.17
C=CCC(C)(C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025087955	0	53	0.0	-66.76	417.22	-1.49	-68.25
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025087967	0	50	0.0	-74.59	416.56	-1.33	-75.92
C[N@H+](CCO)CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087973	1	47	0.0	-73.67	395.63	-5.61	-79.28
C[N@@H+](CCO)CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025087973	1	47	0.0	-73.51	396.38	-5.66	-79.17
C[N@H+]1CC=C(CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025088018	0	51	0.0	-74.07	426.67	-0.73	-74.80
C[N@@H+]1CC=C(CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025088018	1	51	0.0	-72.49	427.27	-0.80	-73.29
CC1C[NH+](CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025088058	1	47	0.0	-73.12	399.53	-1.98	-75.10
CC[N@@H+]1CCCC(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025088063	0	53	0.0	-75.66	420.85	-0.95	-76.61
CC[N@H+]1CCCC(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025088063	1	53	0.0	-72.77	428.08	-1.05	-73.82
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025088074	0	51	0.0	-67.86	420.48	-0.80	-68.66
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025088074	1	51	0.0	-68.35	420.08	-0.79	-69.14
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300025088093	0	51	0.0	-77.19	428.54	-0.86	-78.05
CC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088128	0	46	0.0	-72.63	386.24	-2.44	-75.07
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300025088155	1	49	0.0	-69.07	406.57	-1.19	-70.26
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300025088155	1	49	0.0	-70.75	407.48	-1.10	-71.85
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300025088197	0	50	0.0	-80.16	401.17	-4.82	-84.98
COCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088228	1	50	0.0	-73.27	418.64	-3.26	-76.53
COCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088228	1	50	0.0	-73.74	417.88	-3.21	-76.95
CC(CCC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025088231	0	52	0.0	-74.45	425.59	-1.31	-75.76
C[NH+]1CCC(=CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025088238	0	51	0.0	-76.15	420.95	-0.78	-76.93
CC[N@H+](CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025088243	0	50	0.0	-69.45	417.44	-1.03	-70.48
CC[N@@H+](CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025088243	1	50	0.0	-70.33	411.46	-1.39	-71.72
C[N@@H+]1CC2CC1(C(=O)N1CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025088267	0	48	0.0	-75.13	392.87	-1.87	-77.00
C[N@H+]1CC2CC1(C(=O)N1CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025088267	1	48	0.0	-74.75	394.86	-1.95	-76.70
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300025088274	0	51	0.0	-70.29	414.61	-0.94	-71.23
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300025088274	1	51	0.0	-70.59	414.09	-0.95	-71.54
CC(C[NH+](C)C)C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088287	0	49	0.0	-75.15	404.25	-2.07	-77.22
C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025088295	0	47	0.0	-76.58	392.61	-2.21	-78.79
C[C@H](C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025088310	0	46	0.0	-71.95	386.37	-2.74	-74.69
CC[N@@H+]1CCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088314	1	47	0.0	-72.60	399.74	-2.16	-74.76
CC[N@H+]1CCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088314	1	47	0.0	-70.59	391.87	-2.46	-73.05
NC1=CC=[NH+]C=C1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088341	0	43	0.0	-75.07	374.58	-5.04	-80.11
CCCC(C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025088348	0	52	0.0	-72.47	421.08	-1.23	-73.70
C[NH+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088352	0	49	0.0	-75.43	389.58	-2.04	-77.47
CC(CC[NH+](C)C)C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088365	0	52	0.0	-75.77	425.65	-1.42	-77.19
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088412	0	53	0.0	-69.31	433.98	-1.01	-70.32
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088412	1	53	0.0	-70.55	427.59	-1.57	-72.12
C[NH+]1CCN(CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025088419	1	52	0.0	-74.73	427.25	-3.58	-78.31
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025088481	0	48	0.0	-72.52	403.59	-1.24	-73.76
C[N@@H+]1CCCCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088496	0	50	0.0	-69.58	409.75	-1.53	-71.11
C[N@H+]1CCCCC1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088496	1	50	0.0	-70.63	398.34	-1.89	-72.52
C[N@@H+]1CCC(=CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025088551	0	48	0.0	-78.22	406.15	-1.55	-79.77
C[N@H+]1CCC(=CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025088551	1	48	0.0	-78.05	406.23	-1.51	-79.56
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300025088553	0	46	0.0	-73.91	403.95	-3.80	-77.71
[N-]=[N+]=NCC(=O)N1CC(O)(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025088576	0	37	0.0	-28.89	345.20	-7.47	-36.36
C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025088602	0	53	0.0	-75.18	409.01	-1.35	-76.53
CCC1C[NH+](CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025088609	1	50	0.0	-73.98	420.69	-1.25	-75.23
C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088618	0	47	0.0	-70.45	393.08	-2.09	-72.54
C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088618	1	47	0.0	-72.38	386.72	-2.52	-74.90
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025088692	0	50	0.0	-75.58	417.08	-1.32	-76.90
C[NH+](C)CCC1(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025088699	0	53	0.0	-77.83	440.12	-0.50	-78.33
C[N@@H+]1CC=CCC1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088700	0	51	0.0	-66.69	414.34	-1.12	-67.81
C[N@H+]1CC=CCC1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088700	1	51	0.0	-76.46	419.30	-1.07	-77.53
C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088727	0	50	0.0	-74.84	424.11	-1.96	-76.80
[NH2+]=C1SC=CN1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088750	0	43	0.0	-69.74	394.62	-2.87	-72.61
C[N@@H+]1CCCC(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025088802	0	50	0.0	-76.14	403.84	-1.68	-77.82
C[N@H+]1CCCC(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025088802	1	50	0.0	-76.14	403.84	-1.68	-77.82
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300025088803	0	53	0.0	-72.03	419.58	-1.04	-73.07
CN1C=C[N+](CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025088805	0	45	0.0	-71.07	399.44	0.46	-70.61
C[N@H+](CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025088824	0	47	0.0	-70.53	397.65	-1.66	-72.19
CC(CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025088838	0	52	0.0	-76.10	425.42	-1.05	-77.15
C[NH+]1CC(CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025088929	0	47	0.0	-75.10	399.52	-2.24	-77.34
C[N@H+](CCO)CCC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088951	0	50	0.0	-74.68	418.57	-5.14	-79.82
C[N@@H+](CCO)CCC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088951	1	50	0.0	-74.68	418.57	-5.14	-79.82
C[N@@H+]1CCCCC1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088965	0	53	0.0	-75.92	427.76	-0.92	-76.84
C[N@H+]1CCCCC1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088965	1	53	0.0	-75.92	427.76	-0.92	-76.84
CC(C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300025088975	0	50	0.0	-70.22	413.79	-1.65	-71.87
CC(C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025088975	1	50	0.0	-70.22	413.79	-1.65	-71.87
CC1CCN1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088977	0	47	0.0	-70.75	394.53	-2.24	-72.99
CC1CC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088977	1	47	0.0	-71.85	399.56	-1.99	-73.84
CC1CC[N@H+]1CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088977	1	47	0.0	-71.85	399.56	-1.99	-73.84
C[NH+](C)CC=CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025088983	0	47	0.0	-78.58	403.97	-1.92	-80.50
CC1(C)CN(CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025088988	0	50	0.0	-72.99	418.11	-1.43	-74.42
CC1(C)C[NH+](CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025088988	1	50	0.0	-72.99	418.11	-1.43	-74.42
CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025089022	0	49	0.0	-71.22	404.33	-1.72	-72.94
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)CN2CCC2)C1	REAL300025089031	0	44	0.0	-73.28	378.33	-2.64	-75.92
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C[NH+]2CCC2)C1	REAL300025089031	1	44	0.0	-73.28	378.33	-2.64	-75.92
CC[NH+](CC)CCC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025089058	0	52	0.0	-74.28	426.19	-1.15	-75.43
CC(C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300025089108	0	47	0.0	-70.41	398.47	-2.09	-72.50
CC(C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025089108	1	47	0.0	-70.41	398.47	-2.09	-72.50
C[NH+](C)CC(C)(C)C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025089117	0	52	0.0	-74.45	410.85	-1.84	-76.29
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025089144	0	50	0.0	-70.14	410.24	-1.52	-71.66
C[NH+](C)CC(O)CC(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025089161	0	50	0.0	-79.28	420.72	-4.01	-83.29
C=CCC(C(=O)N1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025089180	0	50	0.0	-72.16	413.59	-1.46	-73.62
C[NH+]1CCC(C)(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025089190	0	53	0.0	-74.44	418.48	-1.49	-75.93
NC(=[NH2+])SCC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025089211	0	41	0.0	-79.04	375.44	-6.10	-85.14
C[NH+](C)CCC1(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025089231	0	53	0.0	-77.73	442.71	-0.67	-78.40
C[N@@H+]1CC=CCC1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025089232	0	51	0.0	-80.04	419.10	-0.97	-81.01
C[N@H+]1CC=CCC1CC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025089232	1	51	0.0	-72.44	414.68	-1.09	-73.53
CCC1CN(CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025089310	0	50	0.0	-79.10	420.56	-1.20	-80.30
CCC1C[NH+](CC(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025089310	1	50	0.0	-79.10	420.56	-1.20	-80.30
C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025089315	0	47	0.0	-77.02	388.61	-2.52	-79.54
CC1C(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025089332	0	50	0.0	-77.28	410.45	-1.61	-78.89
CC1C(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025089332	1	50	0.0	-77.28	410.45	-1.61	-78.89
C[N@@H+]1CCCC1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089512	0	53	0.0	-73.43	410.33	2.77	-70.66
CCC(C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025089615	0	55	0.0	-70.13	420.81	3.18	-66.95
CCC[N@H+](C)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089620	0	55	0.0	-73.25	429.72	3.61	-69.64
CCC[N@@H+](C)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089620	1	55	0.0	-73.25	429.72	3.61	-69.64
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089628	0	53	0.0	-70.26	416.78	3.28	-66.98
CC[NH+](CC)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089633	0	55	0.0	-71.68	421.98	3.27	-68.41
CC[N@H+](C)CCC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089691	0	55	0.0	-76.09	430.59	3.41	-72.68
CC[N@@H+](C)CCC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089691	1	55	0.0	-76.09	430.59	3.41	-72.68
CC[C@@H](C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025089694	0	55	0.0	-71.30	424.14	3.80	-67.50
CC(C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)N1CCC1	REAL300025089716	0	53	0.0	-72.58	420.49	3.12	-69.46
CC(C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025089716	1	53	0.0	-72.58	420.49	3.12	-69.46
C[N@H+](CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025089723	0	53	0.0	-70.78	419.80	3.60	-67.18
C[NH+]1CC(CC(=O)NC2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025089729	0	53	0.0	-52.42	402.23	4.24	-48.18
O=C(CN1CCC1)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089776	0	50	0.0	-52.29	383.16	3.86	-48.43
O=C(C[NH+]1CCC1)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089776	1	50	0.0	-52.29	383.16	3.86	-48.43
CC1CN(CC(=O)NC2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025089794	0	53	0.0	-73.57	421.72	3.33	-70.24
CC1C[NH+](CC(=O)NC2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025089794	1	53	0.0	-73.57	421.72	3.33	-70.24
CN(CCO)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089805	0	53	0.0	-52.99	403.02	0.96	-52.03
C[N@H+](CCO)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089805	1	53	0.0	-51.88	403.70	0.94	-50.94
C[N@@H+](CCO)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089805	1	53	0.0	-51.88	403.70	0.94	-50.94
CC[N@H+](C)CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089812	0	52	0.0	-73.09	408.22	2.87	-70.22
C[NH+](C)CC=CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089830	0	53	0.0	-52.01	406.78	4.61	-47.40
CCN1CCC1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089836	0	53	0.0	-47.95	397.25	4.38	-43.57
CC[N@@H+]1CCC1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089836	1	53	0.0	-49.11	394.64	4.03	-45.08
CC[N@H+]1CCC1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089836	1	53	0.0	-49.11	394.64	4.03	-45.08
C[NH+](C)C(C)(C)C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089850	0	55	0.0	-81.98	417.60	3.36	-78.62
CC(C[NH+](C)C)C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089895	0	55	0.0	-75.96	428.80	3.45	-72.51
CC1CCN1CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089906	0	53	0.0	-48.53	402.57	4.47	-44.06
CC1CC[N@@H+]1CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089906	1	53	0.0	-71.20	416.08	3.00	-68.20
CC1CC[N@H+]1CC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025089906	1	53	0.0	-71.20	416.08	3.00	-68.20
C[N@@H+]1CCCC1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090021	0	53	0.0	-64.29	410.55	2.92	-61.37
C[N@H+]1CCCC1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090021	1	53	0.0	-64.29	410.55	2.92	-61.37
CCC(C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025090095	0	55	0.0	-72.50	406.07	4.60	-67.90
CCC[N@H+](C)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090099	0	55	0.0	-66.89	429.53	3.56	-63.33
CCC[N@@H+](C)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090099	1	55	0.0	-66.89	429.53	3.56	-63.33
CC[N@H+](C)CCC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090116	0	55	0.0	-70.37	430.61	3.42	-66.95
CC[N@@H+](C)CCC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090116	1	55	0.0	-70.37	430.61	3.42	-66.95
CC[C@@H](C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025090157	0	55	0.0	-68.08	420.02	3.17	-64.91
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090203	0	53	0.0	-62.47	409.06	2.64	-59.83
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090203	1	53	0.0	-59.41	380.54	4.28	-55.13
C[C@@H](C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025090258	0	52	0.0	-72.78	393.24	3.84	-68.94
C[N@H+](CCO)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090268	1	53	0.0	-68.98	418.38	-0.43	-69.41
C[N@@H+](CCO)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090268	1	53	0.0	-68.28	418.49	-0.38	-68.66
CC1C[NH+](CC(=O)N2CC3CC2CC(NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025090284	1	53	0.0	-67.36	421.57	3.20	-64.16
CC[N@H+](C)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090302	0	52	0.0	-66.60	408.38	2.85	-63.75
CC[N@@H+](C)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090302	1	52	0.0	-66.65	408.03	2.82	-63.83
CC(C[NH+](C)C)C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090335	0	55	0.0	-72.77	428.87	3.30	-69.47
C[NH+](C)C1(C(=O)N2CC3CC2CC(NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025090338	0	53	0.0	-57.05	384.25	3.84	-53.21
C[C@H](C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025090342	0	52	0.0	-64.78	407.16	2.46	-62.32
CC[N@@H+]1CCC1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090345	1	53	0.0	-55.47	405.07	4.36	-51.11
CC[N@H+]1CCC1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090345	1	53	0.0	-67.22	422.36	3.13	-64.09
C[NH+](C)C(C)(C)C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090354	0	55	0.0	-75.58	410.07	2.56	-73.02
[N-]=[N+]=NCC(=O)N1CC2CC1CC(NC(=O)CSC1=NC(=O)NN1)C2	REAL300025090403	0	43	0.0	-20.65	348.55	-0.93	-21.58
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090416	0	53	0.0	-58.97	380.82	4.19	-54.78
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090416	1	53	0.0	-62.33	409.05	2.64	-59.69
C[N@H+](CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025090453	0	53	0.0	-64.49	419.78	3.58	-60.91
C[N@@H+](CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025090453	1	53	0.0	-63.95	419.91	3.59	-60.36
C[NH+]1CC(CC(=O)N2CC3CC2CC(NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025090481	0	53	0.0	-68.15	422.11	2.98	-65.17
C[NH+](C)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090484	0	49	0.0	-57.62	372.48	3.46	-54.16
C[C@@H](C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025090487	0	52	0.0	-72.78	393.24	3.84	-68.94
CC1CC[N@@H+]1CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090496	1	53	0.0	-55.87	398.56	4.19	-51.68
CC1CC[N@H+]1CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090496	1	53	0.0	-55.13	392.79	4.44	-50.69
C[NH+](C)CC=CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090497	0	53	0.0	-73.37	425.74	3.37	-70.00
CC[NH+](CC)CC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090503	0	55	0.0	-54.43	398.05	4.35	-50.08
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CC(C1)N(C(=O)C[NH+]1CCC1)C2	REAL300025090504	1	50	0.0	-57.09	383.08	3.84	-53.25
CC(C(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025090527	1	53	0.0	-52.36	392.74	4.10	-48.26
NC(=[NH2+])SCC(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090567	0	47	0.0	-78.10	399.02	-0.94	-79.04
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090599	0	53	0.0	-69.61	415.97	3.14	-66.47
C[N@H+]1CCC[C@H]1C(=O)NC1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025090599	1	53	0.0	-53.45	389.04	3.85	-49.60
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300025090844	0	52	0.0	-69.87	416.52	2.31	-67.56
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C)C1	REAL300025090844	1	52	0.0	-69.73	414.67	2.25	-67.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300025090868	1	53	0.0	-74.55	427.07	1.71	-72.84
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300025090868	1	53	0.0	-74.89	419.45	1.52	-73.37
CC1=[NH+]C=CN1CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091007	1	50	0.0	-70.81	423.11	3.09	-67.72
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300025091025	0	55	0.0	-75.91	429.51	2.33	-73.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300025091025	1	55	0.0	-72.98	434.83	2.84	-70.14
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300025091045	0	55	0.0	-75.11	420.99	2.46	-72.65
CC(C)[C@@H](C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025091047	0	57	0.0	-70.26	434.73	2.84	-67.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300025091056	0	55	0.0	-70.57	440.22	3.37	-67.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300025091056	1	55	0.0	-70.19	440.31	3.38	-66.81
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025091080	0	55	0.0	-77.57	437.69	2.92	-74.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025091086	0	55	0.0	-70.06	435.27	3.03	-67.03
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025091086	1	55	0.0	-69.37	434.78	2.93	-66.44
CC1=C[NH+]=CN1CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091103	1	50	0.0	-72.33	423.85	3.73	-68.60
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300025091113	0	55	0.0	-77.36	432.78	2.87	-74.49
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300025091113	1	55	0.0	-75.46	440.70	3.08	-72.38
CCC(C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025091116	0	54	0.0	-69.91	421.37	2.43	-67.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCCC[NH+](C)C)C1	REAL300025091130	0	57	0.0	-77.80	460.11	3.70	-74.10
CC(C)C(C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025091133	0	57	0.0	-72.36	438.02	3.34	-69.02
CCC[N@H+](C)CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091134	0	57	0.0	-76.83	456.31	3.51	-73.32
CCC[N@@H+](C)CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091134	1	57	0.0	-76.91	456.34	3.52	-73.39
CCC[N@H+](C)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091135	0	54	0.0	-72.40	433.32	2.80	-69.60
CCC[N@@H+](C)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091135	1	54	0.0	-73.53	433.98	2.93	-70.60
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300025091150	0	52	0.0	-69.54	416.50	2.34	-67.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300025091150	1	52	0.0	-73.83	413.25	1.96	-71.87
CC[NH+](CC)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091162	0	54	0.0	-70.44	430.16	2.75	-67.69
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300025091216	0	55	0.0	-74.29	435.56	3.22	-71.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025091238	0	55	0.0	-77.57	437.69	2.92	-74.65
CC(C)[C@H](C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025091253	0	57	0.0	-70.36	437.09	2.99	-67.37
CC[N@H+](C)CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091280	0	54	0.0	-76.02	434.84	2.75	-73.27
CC[N@@H+](C)CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091280	1	54	0.0	-76.16	434.84	2.77	-73.39
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300025091290	0	55	0.0	-70.97	439.91	3.24	-67.73
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCCC2C)C1	REAL300025091290	1	55	0.0	-70.81	439.68	3.18	-67.63
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300025091291	0	55	0.0	-72.99	440.67	3.19	-69.80
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300025091291	1	55	0.0	-71.38	439.63	3.11	-68.27
CC[C@@H](C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025091293	0	54	0.0	-71.52	423.07	2.47	-69.05
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)C1	REAL300025091329	0	48	0.0	-74.02	394.73	1.52	-72.50
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300025091330	0	50	0.0	-70.59	425.32	4.91	-65.68
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300025091333	0	55	0.0	-66.62	428.10	3.07	-63.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300025091333	1	55	0.0	-69.73	437.78	2.94	-66.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300025091340	0	52	0.0	-69.81	415.46	1.98	-67.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300025091343	0	57	0.0	-68.59	431.33	2.68	-65.91
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CC2)C1	REAL300025091350	0	52	0.0	-70.05	423.50	2.81	-67.24
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300025091350	1	52	0.0	-70.57	423.98	2.93	-67.64
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2C[NH+](C)C2)C1	REAL300025091361	0	52	0.0	-75.22	426.01	2.36	-72.86
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025091373	0	51	0.0	-71.56	409.15	1.73	-69.83
CC(NC(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])C1	REAL300025091380	0	42	0.0	-25.04	371.57	-2.96	-28.00
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025091411	0	51	0.0	-71.56	409.15	1.73	-69.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300025091414	0	55	0.0	-69.73	433.64	2.88	-66.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300025091414	1	55	0.0	-73.72	426.65	2.68	-71.04
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)C1	REAL300025091441	1	49	0.0	-74.12	404.89	1.95	-72.17
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300025091450	0	53	0.0	-76.69	432.83	3.03	-73.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300025091450	1	53	0.0	-76.90	432.73	2.96	-73.94
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300025091468	0	51	0.0	-72.81	411.12	1.75	-71.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)C2)C1	REAL300025091484	1	52	0.0	-72.57	425.69	2.56	-70.01
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CCO)C1	REAL300025091497	1	52	0.0	-74.15	422.83	-1.06	-75.21
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CCO)C1	REAL300025091497	1	52	0.0	-72.64	421.97	-1.18	-73.82
CC(CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025091509	0	57	0.0	-77.09	451.44	3.45	-73.64
CC[N@H+](C)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091511	0	51	0.0	-72.06	411.82	2.06	-70.00
CC[N@@H+](C)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091511	1	51	0.0	-73.26	412.48	2.18	-71.08
CC[N@H+](CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025091521	0	55	0.0	-69.95	443.34	3.55	-66.40
CC[N@@H+](CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025091521	1	55	0.0	-71.97	435.94	3.10	-68.87
CC[NH+](CC)CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091527	0	57	0.0	-75.61	447.96	3.19	-72.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300025091535	1	55	0.0	-72.41	444.77	3.03	-69.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+](C)C)C1	REAL300025091542	0	52	0.0	-79.29	429.72	2.69	-76.60
CC(CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025091559	0	57	0.0	-78.60	447.76	3.29	-75.31
CC[N@@H+]1CCC1C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091563	0	52	0.0	-71.91	425.68	2.34	-69.57
CC[N@H+]1CCC1C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091563	1	52	0.0	-73.49	426.23	2.47	-71.02
C=CCC(C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025091584	0	55	0.0	-70.83	434.63	2.86	-67.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025091592	0	53	0.0	-73.72	430.21	3.39	-70.33
CCCC(C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025091597	0	57	0.0	-71.91	442.78	3.12	-68.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300025091599	0	54	0.0	-77.72	413.77	1.91	-75.81
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025091609	0	55	0.0	-70.06	435.27	3.03	-67.03
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025091609	1	55	0.0	-69.37	434.78	2.93	-66.44
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CC2)C1	REAL300025091645	0	52	0.0	-75.90	415.04	2.16	-73.74
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300025091646	0	55	0.0	-75.50	443.05	3.26	-72.24
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300025091656	0	53	0.0	-75.34	416.39	2.73	-72.61
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300025091656	1	53	0.0	-74.78	415.46	2.55	-72.23
CC(C[NH+](C)C)C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091691	0	54	0.0	-77.65	432.82	2.60	-75.05
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300025091711	0	55	0.0	-71.78	443.17	2.98	-68.80
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300025091712	0	52	0.0	-72.93	426.05	2.58	-70.35
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC2C)C1	REAL300025091712	1	52	0.0	-72.93	425.89	2.54	-70.39
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300025091743	0	55	0.0	-74.79	443.59	3.13	-71.66
CC(CC[NH+](C)C)C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091744	0	57	0.0	-78.01	454.45	3.21	-74.80
CC(NC(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091913	0	52	0.0	-74.04	414.70	2.07	-71.97
CC(NC(=O)C1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091913	1	52	0.0	-74.37	414.70	2.06	-72.31
CC(NC(=O)C1C[N@H+](C)CCO1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091939	1	53	0.0	-80.30	425.00	1.87	-78.43
CC(NC(=O)C1C[N@@H+](C)CCO1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025091939	1	53	0.0	-86.20	431.98	1.96	-84.24
CC(NC(=O)CC1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092089	0	55	0.0	-73.23	440.61	3.08	-70.15
CC(NC(=O)CC1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092089	1	55	0.0	-71.75	440.82	3.11	-68.64
CCC(C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025092092	0	54	0.0	-68.85	427.14	2.71	-66.14
CC(NC(=O)CCCC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092102	0	57	0.0	-72.77	459.89	3.68	-69.09
CC(C)C(C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025092105	0	57	0.0	-69.48	443.83	3.62	-65.86
CCC[N@H+](C)CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092106	0	57	0.0	-76.89	456.21	3.44	-73.45
CCC[N@@H+](C)CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092106	1	57	0.0	-71.72	456.13	3.50	-68.22
CCC[N@H+](C)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092107	0	54	0.0	-75.12	433.84	2.91	-72.21
CCC[N@@H+](C)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092107	1	54	0.0	-75.06	433.90	2.92	-72.14
CC(NC(=O)C1(C[NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092146	0	55	0.0	-75.11	445.25	3.13	-71.98
CC[N@H+](C)CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092152	0	54	0.0	-70.93	434.59	2.77	-68.16
CC[N@@H+](C)CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092152	1	54	0.0	-76.03	434.71	2.70	-73.33
CC(NC(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092174	0	55	0.0	-78.67	439.23	3.16	-75.51
CC(C)[C@H](C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025092189	0	57	0.0	-66.05	438.14	3.09	-62.96
CC(NC(=O)C1([NH+](C)C)CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092211	0	55	0.0	-69.92	427.33	3.06	-66.86
CC(NC(=O)C[N@@H+]1CCCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092235	0	55	0.0	-66.98	439.54	3.28	-63.70
CC(NC(=O)C[N@H+]1CCCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092235	1	55	0.0	-66.47	432.83	2.85	-63.62
CC(C)[C@@H](C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025092246	0	57	0.0	-65.69	440.16	3.09	-62.60
CC(NC(=O)C[N@@H+]1CCC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092254	0	55	0.0	-74.40	440.04	3.25	-71.15
CC(NC(=O)C[N@H+]1CCC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092254	1	55	0.0	-74.09	440.92	3.20	-70.89
CC[C@@H](C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025092256	0	54	0.0	-67.82	424.95	2.56	-65.26
CC1=[NH+]C=CN1CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092293	1	50	0.0	-66.18	423.93	3.17	-63.01
CC1=C[NH+]=CN1CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092311	1	50	0.0	-74.27	423.33	3.80	-70.47
CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092312	0	55	0.0	-69.45	431.93	2.72	-66.73
CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092312	1	55	0.0	-70.51	437.25	2.76	-67.75
CC(NC(=O)C[N@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092342	0	55	0.0	-73.20	440.73	3.48	-69.72
CC(NC(=O)C[N@@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092342	1	55	0.0	-67.25	440.72	3.54	-63.71
CC(NC(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092348	0	55	0.0	-78.67	439.23	3.16	-75.51
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092361	0	52	0.0	-66.54	420.29	2.57	-63.97
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092361	1	52	0.0	-73.72	414.03	2.04	-71.68
CC(NC(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092404	0	55	0.0	-72.39	426.71	2.91	-69.48
CC(NC(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092404	1	55	0.0	-66.76	427.15	2.97	-63.79
CC(NC(=O)C1CC[N@H+](C)C1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092433	0	55	0.0	-67.67	435.57	2.70	-64.97
CC(NC(=O)C1CC[N@@H+](C)C1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092433	1	55	0.0	-76.75	437.72	2.80	-73.95
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092474	0	51	0.0	-68.72	412.39	1.97	-66.75
CC(NC(=O)CC[NH+]1CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092492	0	55	0.0	-75.60	442.94	3.22	-72.38
CC(NC(=O)C[N@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092497	1	52	0.0	-75.55	422.75	-1.06	-76.61
CC(NC(=O)C[N@@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092497	1	52	0.0	-69.45	422.36	-1.03	-70.48
CC(NC(=O)C[NH+]1CC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092540	1	52	0.0	-75.09	425.92	2.60	-72.49
CC[N@H+](C)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092572	0	51	0.0	-69.07	412.23	2.22	-66.85
CC[N@@H+](C)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092572	1	51	0.0	-74.66	412.34	2.17	-72.49
CC(CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025092625	0	57	0.0	-70.42	451.89	3.30	-67.12
CC[N@H+](CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025092630	0	55	0.0	-66.26	443.13	3.58	-62.68
CC[N@@H+](CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025092630	1	55	0.0	-71.39	439.03	3.27	-68.12
CC(NC(=O)C12CC(C1)C[N@@H+]2C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092643	0	53	0.0	-70.32	424.39	2.91	-67.41
CC(NC(=O)C12CC(C1)C[N@H+]2C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092643	1	53	0.0	-78.24	426.71	2.75	-75.49
CC(C[NH+](C)C)C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092652	0	54	0.0	-71.02	432.94	2.82	-68.20
CC(NC(=O)C1([NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092658	0	52	0.0	-78.65	417.02	3.14	-75.51
CC(NC(=O)[C@@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092668	0	51	0.0	-67.34	412.68	1.97	-65.37
CC[N@@H+]1CCC1C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092671	1	52	0.0	-69.01	425.82	2.45	-66.56
CC[N@H+]1CCC1C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092671	1	52	0.0	-67.79	419.06	2.19	-65.60
CC(NC(=O)C1=C[NH+]=CC=C1N)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092682	0	48	0.0	-70.33	403.00	0.04	-70.29
CCCC(C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025092686	0	57	0.0	-67.50	449.79	3.93	-63.57
CC(NC(=O)C(C)(C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092689	0	54	0.0	-72.65	422.18	2.66	-69.99
CC(CC[NH+](C)C)C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092698	0	57	0.0	-71.72	454.58	3.43	-68.29
CC(NC(=O)C[NH+]1CC2CC2C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092757	0	53	0.0	-69.36	429.84	3.43	-65.93
CC(NC(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092765	0	55	0.0	-72.39	426.71	2.91	-69.48
CC(NC(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092765	1	55	0.0	-66.76	427.15	2.97	-63.79
CC(NC(=O)C=C1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092790	0	53	0.0	-77.24	433.61	3.12	-74.12
CC(NC(=O)C=C1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092790	1	53	0.0	-73.57	432.39	3.11	-70.46
CC(NC(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025092797	0	42	0.0	-24.15	371.51	-2.84	-26.99
CCC1C[NH+](CC(=O)NC(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025092813	1	55	0.0	-75.94	447.31	3.36	-72.58
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092818	0	52	0.0	-73.80	414.66	2.02	-71.78
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092818	1	52	0.0	-66.64	412.26	2.33	-64.31
CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092858	0	55	0.0	-72.42	443.71	3.21	-69.21
CC(NC(=O)C[NH+]1CCCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092899	0	55	0.0	-74.67	436.73	3.39	-71.28
CC(NC(=O)C1CCC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092900	0	55	0.0	-68.36	432.98	3.38	-64.98
CC(NC(=O)C1CCC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092900	1	55	0.0	-64.13	432.51	3.32	-60.81
CC(NC(=O)C[N+]1=CN(C)C=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092901	0	50	0.0	-72.76	425.90	5.02	-67.74
CC(NC(=O)C[N@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092911	0	52	0.0	-72.70	424.02	2.91	-69.79
CC(NC(=O)C[N@@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092911	1	52	0.0	-66.93	423.80	2.96	-63.97
CC(CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025092919	0	57	0.0	-74.68	451.67	3.53	-71.15
CC(NC(=O)CC1C[NH+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092968	0	52	0.0	-75.07	426.11	2.33	-72.74
CC(NC(=O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092975	0	48	0.0	-69.92	394.53	1.55	-68.37
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092983	0	51	0.0	-68.72	412.39	1.97	-66.75
CC(NC(=O)C(C)[NH+]1CC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092997	1	55	0.0	-66.69	443.23	3.22	-63.47
CC(NC(=O)C[N@@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092998	1	52	0.0	-68.36	425.76	2.67	-65.69
CC(NC(=O)C[N@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092998	1	52	0.0	-67.30	420.28	2.36	-64.94
CC(NC(=O)C=CC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093000	0	52	0.0	-73.25	430.50	2.77	-70.48
CC(NC(=O)C[NH+]1CC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093004	1	55	0.0	-69.37	445.15	3.17	-66.20
CC[NH+](CC)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093017	0	54	0.0	-67.70	426.12	2.64	-65.06
CC(NC(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093022	1	49	0.0	-75.01	404.75	1.92	-73.09
CC[NH+](CC)CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093040	0	57	0.0	-69.86	452.48	3.47	-66.39
CC(NC(=O)C(C)[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093068	1	52	0.0	-66.76	422.75	2.60	-64.16
CC(NC(=O)C(C)(C)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093072	0	57	0.0	-65.17	443.68	3.40	-61.77
CC(NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093092	0	55	0.0	-67.86	436.13	3.08	-64.78
CC(NC(=O)[C@H]1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093092	1	55	0.0	-67.56	419.00	2.71	-64.85
C=CCC(C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025093111	0	55	0.0	-65.44	437.58	3.01	-62.43
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CSC(N)=[NH2+])C1	REAL300025093134	0	46	0.0	-77.09	402.43	-1.52	-78.61
CCC1C[NH+](CC(=O)N2CCC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025093189	0	55	0.0	-75.10	447.06	3.28	-71.82
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300025093193	0	52	0.0	-72.03	413.03	1.93	-70.10
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300025093193	1	52	0.0	-70.25	415.99	2.22	-68.03
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300025093200	0	55	0.0	-73.18	436.48	3.39	-69.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300025093204	0	55	0.0	-72.97	434.78	2.89	-70.08
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300025093204	1	55	0.0	-74.33	434.87	2.97	-71.36
CC1CN(C(=O)C2CCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093411	0	52	0.0	-69.98	410.96	1.95	-68.03
CC1CN(C(=O)C2CCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093411	1	52	0.0	-70.21	410.71	1.98	-68.23
CC1CN(C(=O)C2C[N@H+](C)CCO2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093435	1	53	0.0	-86.21	422.23	1.38	-84.83
CC1CN(C(=O)C2C[N@@H+](C)CCO2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093435	1	53	0.0	-73.56	421.19	1.36	-72.20
CC1=[NH+]C=CN1CC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093574	1	50	0.0	-69.83	419.18	2.72	-67.11
CC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093592	0	55	0.0	-78.56	429.00	2.29	-76.27
CC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093592	1	55	0.0	-72.48	434.40	2.93	-69.55
CC1CN(C(=O)C2([NH+](C)C)CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093612	0	55	0.0	-74.61	415.52	2.04	-72.57
CC(C)[C@@H](C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025093614	0	57	0.0	-71.37	432.82	2.98	-68.39
CC1CN(C(=O)C[N@H+](C)C2CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093623	0	55	0.0	-71.17	436.02	3.10	-68.07
CC1CN(C(=O)C[N@@H+](C)C2CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093623	1	55	0.0	-71.41	436.57	3.11	-68.30
CC1CN(C(=O)C2CC[NH+](C)CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093647	0	55	0.0	-80.66	430.66	2.52	-78.14
CC1CN(C(=O)C2CCCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093653	0	55	0.0	-74.18	427.12	2.53	-71.65
CC1CN(C(=O)C2CCCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093653	1	55	0.0	-69.41	429.29	2.60	-66.81
CC1=C[NH+]=CN1CC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093670	1	50	0.0	-72.04	425.73	3.61	-68.43
CC1CN(C(=O)CC2CC[N@H+](C)C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093680	0	55	0.0	-77.21	435.74	2.85	-74.36
CC1CN(C(=O)CC2CC[N@@H+](C)C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093680	1	55	0.0	-75.95	436.84	2.69	-73.26
CCC(C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025093683	0	54	0.0	-70.02	416.91	1.94	-68.08
CC1CN(C(=O)CCCC[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093697	0	57	0.0	-76.45	455.24	3.24	-73.21
CC(C)C(C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025093700	0	57	0.0	-72.04	433.73	2.67	-69.37
CCC[N@H+](C)CCC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093701	0	57	0.0	-77.03	452.07	3.10	-73.93
CCC[N@@H+](C)CCC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093701	1	57	0.0	-76.99	452.07	3.13	-73.86
CCC[N@H+](C)CC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093702	0	54	0.0	-72.90	435.19	2.68	-70.22
CCC[N@@H+](C)CC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093702	1	54	0.0	-72.87	435.20	2.68	-70.19
CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093717	0	52	0.0	-70.18	418.08	2.15	-68.03
CC1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093717	1	52	0.0	-71.36	406.71	1.57	-69.79
CC[NH+](CC)CC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093729	0	54	0.0	-71.33	421.46	2.18	-69.15
CC1CN(C(=O)C2(C[NH+](C)C)CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093783	0	55	0.0	-71.44	442.89	2.99	-68.45
CC1CN(C(=O)C2CC[NH+](C)CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093805	0	55	0.0	-80.66	430.66	2.52	-78.14
CC(C)[C@H](C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025093820	0	57	0.0	-70.50	435.78	2.81	-67.69
CC[N@H+](C)CCC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093847	0	54	0.0	-76.15	430.57	2.37	-73.78
CC[N@@H+](C)CCC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093847	1	54	0.0	-76.12	430.57	2.38	-73.74
CC1CN(C(=O)C[N@@H+]2CCCC2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093857	0	55	0.0	-69.65	427.08	2.43	-67.22
CC1CN(C(=O)C[N@H+]2CCCC2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093857	1	55	0.0	-70.37	435.09	2.90	-67.47
CC1CC[N@H+](CC(=O)N2CC(C)C(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025093858	0	55	0.0	-72.28	440.35	3.07	-69.21
CC1CC[N@@H+](CC(=O)N2CC(C)C(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025093858	1	55	0.0	-72.33	440.22	2.95	-69.38
CC[C@@H](C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025093860	0	54	0.0	-69.63	416.93	1.97	-67.66
CC1CN(C(=O)C[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093896	0	48	0.0	-73.69	389.78	1.10	-72.59
CC1CN(C(=O)C[N+]2=CN(C)C=C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093897	0	50	0.0	-70.60	427.20	4.79	-65.81
CC1CN(C(=O)C2CCC[N@H+](C)C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093900	0	55	0.0	-76.05	439.05	2.84	-73.21
CC1CN(C(=O)C2CCC[N@@H+](C)C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093900	1	55	0.0	-75.09	429.92	2.59	-72.50
CC(C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025093907	1	52	0.0	-70.82	418.27	1.99	-68.83
CC1CN(C(=O)C(C)(C)C[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093910	0	57	0.0	-71.11	428.24	2.13	-68.98
CC1CN(C(=O)C[N@H+](C)C2CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093917	0	52	0.0	-70.12	419.06	2.51	-67.61
CC1CN(C(=O)C[N@@H+](C)C2CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093917	1	52	0.0	-70.53	419.77	2.54	-67.99
CC1CN(C(=O)CC2C[NH+](C)C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093928	0	52	0.0	-74.32	421.30	1.93	-72.39
C[C@@H](C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025093940	0	51	0.0	-71.40	405.31	1.42	-69.98
CC1CN(C(=O)CN=[N+]=[N-])CC1CNC(=O)CSC1=NC(=O)NN1	REAL300025093947	0	42	0.0	-24.40	371.17	-3.13	-27.53
C[C@@H](C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025093978	0	51	0.0	-71.40	405.31	1.42	-69.98
CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093981	0	55	0.0	-69.80	431.58	2.60	-67.20
CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093981	1	55	0.0	-70.72	423.37	2.37	-68.35
CC1CN(C(=O)C[NH+]2CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094008	1	49	0.0	-73.62	399.26	1.69	-71.93
CC1CN(C(=O)C=C2CC[N@H+](C)C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094017	0	53	0.0	-77.80	430.94	2.91	-74.89
CC1CN(C(=O)C=C2CC[N@@H+](C)C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094017	1	53	0.0	-77.47	425.13	2.61	-74.86
C[C@H](C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025094035	0	51	0.0	-71.70	411.59	1.64	-70.06
CC1C[NH+](CC(=O)N2CC(C)C(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025094051	1	52	0.0	-73.96	421.20	2.24	-71.72
CC1CN(C(=O)C[N@H+](C)CCO)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094064	1	52	0.0	-73.52	424.05	-1.29	-74.81
CC1CN(C(=O)C[N@@H+](C)CCO)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094064	1	52	0.0	-73.47	423.84	-1.30	-74.77
CC(CC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025094076	0	57	0.0	-78.60	446.99	3.10	-75.50
CC[N@H+](C)CC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025094078	0	51	0.0	-72.60	413.69	1.94	-70.66
CC[N@@H+](C)CC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025094078	1	51	0.0	-72.88	407.55	1.78	-71.10
CC[N@H+](CC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025094088	0	55	0.0	-69.44	438.46	3.11	-66.33
CC[N@@H+](CC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025094088	1	55	0.0	-70.89	436.63	3.14	-67.75
CC[NH+](CC)CCC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025094094	0	57	0.0	-74.74	443.47	2.76	-71.98
CC1CN(C(=O)C[NH+]2CC(C)(C)C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094102	1	55	0.0	-73.43	439.00	2.67	-70.76
CC1CN(C(=O)C=CC[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094109	0	52	0.0	-78.26	429.01	2.45	-75.81
CC(CCC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025094126	0	57	0.0	-78.19	443.21	2.86	-75.33
CC[N@@H+]1CCC1C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025094130	1	52	0.0	-70.65	417.77	2.02	-68.63
CC[N@H+]1CCC1C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025094130	1	52	0.0	-72.94	425.74	2.31	-70.63
C=CCC(C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025094151	0	55	0.0	-72.54	434.61	2.68	-69.86
CC1CN(C(=O)C[NH+]2CC3CC3C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094159	0	53	0.0	-73.00	431.30	3.16	-69.84
CCCC(C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025094164	0	57	0.0	-72.69	442.10	2.93	-69.76
CC1CN(C(=O)C(C)(C)[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094166	0	54	0.0	-75.46	409.15	1.91	-73.55
CC1CN(C(=O)C2CCCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094176	0	55	0.0	-74.18	427.12	2.53	-71.65
CC1CN(C(=O)C2CCCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094176	1	55	0.0	-69.41	429.29	2.60	-66.81
CC1CN(C(=O)C2([NH+](C)C)CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094212	0	52	0.0	-75.24	416.72	1.88	-73.36
CC1CN(C(=O)CC[NH+]2CCCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094213	0	55	0.0	-74.83	437.63	2.85	-71.98
CC1CN(C(=O)C23CC(C2)C[N@@H+]3C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094223	0	53	0.0	-75.21	422.72	2.29	-72.92
CC1CN(C(=O)C23CC(C2)C[N@H+]3C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094223	1	53	0.0	-75.68	416.40	2.09	-73.59
CC(C[NH+](C)C)C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025094258	0	54	0.0	-73.53	430.45	2.22	-71.31
CC(C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025094278	0	55	0.0	-70.16	439.26	2.63	-67.53
CC1CC[N@@H+]1CC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025094279	1	52	0.0	-71.09	414.19	1.87	-69.22
CC1CC[N@H+]1CC(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025094279	1	52	0.0	-71.87	427.29	2.36	-69.51
CC1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094310	0	55	0.0	-74.79	444.02	2.98	-71.81
CC(CC[NH+](C)C)C(=O)N1CC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025094311	0	57	0.0	-70.80	451.99	2.91	-67.89
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCC[N@@H+]1C	REAL300025094480	0	52	0.0	-71.81	413.50	2.02	-69.79
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCC[N@H+]1C	REAL300025094480	1	52	0.0	-69.03	409.31	1.82	-67.21
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1C[N@H+](C)CCO1	REAL300025094506	1	53	0.0	-78.88	424.65	1.69	-77.19
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1C[N@@H+](C)CCO1	REAL300025094506	1	53	0.0	-74.38	418.67	1.40	-72.98
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)CC1CC[N@H+](C)C1	REAL300025094656	0	55	0.0	-72.02	442.28	2.98	-69.04
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)CC1CC[N@@H+](C)C1	REAL300025094656	1	55	0.0	-71.99	442.99	2.89	-69.10
CCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025094659	0	54	0.0	-69.79	420.89	2.18	-67.61
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)CCCC[NH+](C)C	REAL300025094669	0	57	0.0	-74.44	455.84	3.31	-71.13
CC(C)C(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025094672	0	57	0.0	-69.92	434.69	2.72	-67.20
CCC[N@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025094673	0	57	0.0	-72.83	455.81	3.29	-69.54
CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025094673	1	57	0.0	-72.85	455.81	3.28	-69.57
CCC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025094674	0	54	0.0	-71.05	433.44	2.74	-68.31
CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025094674	1	54	0.0	-71.46	429.71	2.58	-68.88
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1(C[NH+](C)C)CC1	REAL300025094713	0	55	0.0	-70.19	441.07	3.30	-66.89
CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025094719	0	54	0.0	-72.86	430.57	2.38	-70.48
CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025094719	1	54	0.0	-72.11	434.31	2.55	-69.56
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CC[NH+](C)CC1	REAL300025094741	0	55	0.0	-74.30	438.77	2.99	-71.31
CC(C)[C@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025094756	0	57	0.0	-69.24	437.82	2.77	-66.47
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1([NH+](C)C)CCC1	REAL300025094778	0	55	0.0	-74.80	425.09	2.94	-71.86
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@@H+]1CCCC1C	REAL300025094802	0	55	0.0	-68.14	438.59	3.08	-65.06
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@H+]1CCCC1C	REAL300025094802	1	55	0.0	-68.59	428.01	2.68	-65.91
CC(C)[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025094813	0	57	0.0	-67.32	436.02	3.66	-63.66
CC1CC[N@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025094821	0	55	0.0	-69.93	440.46	2.97	-66.96
CC1CC[N@@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025094821	1	55	0.0	-71.21	434.76	3.04	-68.17
CC[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025094823	0	54	0.0	-66.92	420.43	2.14	-64.78
CC1=[NH+]C=CN1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025094860	1	50	0.0	-68.81	423.65	3.00	-65.81
CC1=C[NH+]=CN1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025094878	1	50	0.0	-70.32	422.92	3.63	-66.69
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025094879	0	55	0.0	-70.86	425.96	2.32	-68.54
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025094879	1	55	0.0	-73.83	436.34	2.91	-70.92
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@H+](C)C1CCC1	REAL300025094909	0	55	0.0	-69.04	440.46	3.38	-65.66
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@@H+](C)C1CCC1	REAL300025094909	1	55	0.0	-69.13	436.57	3.16	-65.97
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CC[NH+](C)CC1	REAL300025094915	0	55	0.0	-74.30	438.77	2.99	-71.31
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300025094928	0	52	0.0	-68.21	415.00	2.25	-65.96
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300025094928	1	52	0.0	-70.34	414.30	1.88	-68.46
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCCC[N@@H+]1C	REAL300025094971	0	55	0.0	-67.97	427.36	2.77	-65.20
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCCC[N@H+]1C	REAL300025094971	1	55	0.0	-66.47	436.62	2.92	-63.55
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CC[N@H+](C)C1C	REAL300025095000	0	55	0.0	-71.43	431.56	2.73	-68.70
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CC[N@@H+](C)C1C	REAL300025095000	1	55	0.0	-69.75	434.01	2.71	-67.04
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025095041	0	51	0.0	-69.23	412.32	1.72	-67.51
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)CC[NH+]1CCCC1	REAL300025095059	0	55	0.0	-71.60	442.54	3.06	-68.54
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@H+](C)CCO	REAL300025095064	1	52	0.0	-72.36	418.56	-1.39	-73.75
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@@H+](C)CCO	REAL300025095064	1	52	0.0	-71.20	422.07	-1.24	-72.44
CC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025095107	1	52	0.0	-69.97	419.87	2.31	-67.66
CC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025095139	0	51	0.0	-70.58	411.94	2.00	-68.58
CC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025095139	1	51	0.0	-71.09	408.21	1.84	-69.25
CC(CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025095192	0	57	0.0	-73.41	447.85	3.06	-70.35
CC[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300025095197	0	55	0.0	-67.72	443.38	3.36	-64.36
CC[N@@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300025095197	1	55	0.0	-68.47	436.52	3.19	-65.28
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C12CC(C1)C[N@@H+]2C	REAL300025095210	0	53	0.0	-70.92	425.04	2.43	-68.49
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C12CC(C1)C[N@H+]2C	REAL300025095210	1	53	0.0	-71.71	424.86	2.55	-69.16
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025095219	0	54	0.0	-72.91	428.88	2.44	-70.47
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1([NH+](C)C)CC1	REAL300025095225	0	52	0.0	-74.98	419.04	2.54	-72.44
C[C@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025095235	0	51	0.0	-71.10	406.34	1.65	-69.45
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025095238	1	52	0.0	-70.49	414.35	2.03	-68.46
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025095238	1	52	0.0	-70.21	425.86	2.41	-67.80
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=C[NH+]=CC=C1N	REAL300025095249	0	48	0.0	-70.73	402.33	-0.19	-70.92
CCCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025095253	0	57	0.0	-70.78	442.38	2.95	-67.83
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C(C)(C)[NH+](C)C	REAL300025095256	0	54	0.0	-74.02	417.71	2.36	-71.66
CC(CC[NH+](C)C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025095265	0	57	0.0	-72.89	450.51	3.06	-69.83
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[NH+]1CC2CC2C1	REAL300025095324	0	53	0.0	-70.77	428.70	3.15	-67.62
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCCC[N@@H+]1C	REAL300025095332	0	55	0.0	-67.97	427.36	2.77	-65.20
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCCC[N@H+]1C	REAL300025095332	1	55	0.0	-66.47	436.62	2.92	-63.55
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C=C1CC[N@H+](C)C1	REAL300025095357	0	53	0.0	-75.05	432.48	3.01	-72.04
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C=C1CC[N@@H+](C)C1	REAL300025095357	1	53	0.0	-74.33	433.05	2.86	-71.47
CC1CN(C(=O)CSC2=NC(=O)NN2)CC1CNC(=O)CN=[N+]=[N-]	REAL300025095364	0	42	0.0	-23.31	371.17	-3.08	-26.39
CCC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025095380	1	55	0.0	-71.80	446.85	3.18	-68.62
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025095385	0	52	0.0	-72.97	409.30	1.84	-71.13
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300025095385	1	52	0.0	-68.75	415.23	2.29	-66.46
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025095425	0	55	0.0	-70.75	440.00	2.90	-67.85
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[NH+]1CCCCC1	REAL300025095466	0	55	0.0	-70.28	435.93	3.20	-67.08
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCC[N@H+](C)C1	REAL300025095467	0	55	0.0	-72.88	438.84	3.03	-69.85
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCC[N@@H+](C)C1	REAL300025095467	1	55	0.0	-72.24	432.49	2.88	-69.36
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N+]1=CN(C)C=C1	REAL300025095468	0	50	0.0	-68.97	421.70	4.68	-64.29
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@H+](C)C1CC1	REAL300025095478	0	52	0.0	-68.64	423.62	2.73	-65.91
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@@H+](C)C1CC1	REAL300025095478	1	52	0.0	-68.79	423.62	2.73	-66.06
CC(CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300025095486	0	57	0.0	-72.90	451.23	3.33	-69.57
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)CC1C[NH+](C)C1	REAL300025095535	0	52	0.0	-72.16	425.63	2.15	-70.01
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[NH+](C)C	REAL300025095542	0	48	0.0	-71.81	390.47	1.17	-70.64
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025095550	0	51	0.0	-69.23	412.32	1.72	-67.51
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CC(C)C1	REAL300025095564	1	55	0.0	-68.39	443.41	3.01	-65.38
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025095565	1	52	0.0	-67.82	416.46	2.00	-65.82
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025095565	1	52	0.0	-68.46	427.14	2.46	-66.00
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C=CC[NH+](C)C	REAL300025095567	0	52	0.0	-76.42	427.70	2.42	-74.00
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[NH+]1CC(C)(C)C1	REAL300025095571	1	55	0.0	-71.00	444.82	2.95	-68.05
CC[NH+](CC)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025095584	0	54	0.0	-69.26	430.31	2.69	-66.57
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[NH+]1CCC1	REAL300025095589	1	49	0.0	-71.72	398.30	1.66	-70.06
CC[NH+](CC)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025095607	0	57	0.0	-72.09	444.07	2.82	-69.27
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CCC1	REAL300025095635	1	52	0.0	-68.74	424.21	2.26	-66.48
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C(C)(C)C[NH+](C)C	REAL300025095639	0	57	0.0	-66.30	438.01	2.88	-63.42
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025095659	0	55	0.0	-67.46	436.20	2.91	-64.55
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@H]1CCCC[N@H+]1C	REAL300025095659	1	55	0.0	-67.65	427.35	2.76	-64.89
C=CCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025095678	0	55	0.0	-69.00	434.15	2.65	-66.35
CC1CN(C(=O)CSC(N)=[NH2+])CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025095701	0	46	0.0	-76.11	398.40	-2.00	-78.11
CCC1C[NH+](CC(=O)N2CC(C)C(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025095756	0	55	0.0	-74.15	448.43	3.08	-71.07
CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025095760	0	52	0.0	-71.18	412.60	1.79	-69.39
CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025095760	1	52	0.0	-69.97	417.15	2.16	-67.81
CC1CN(C(=O)C[NH+]2CCCCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025095767	0	55	0.0	-72.45	437.68	3.13	-69.32
CC1CN(C(=O)C2CC[N@H+](C)C2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025095771	0	55	0.0	-72.96	435.91	2.64	-70.32
CC1CN(C(=O)C2CC[N@@H+](C)C2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025095771	1	55	0.0	-72.89	426.52	2.27	-70.62
C[NH+](C)CC(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025095915	0	54	0.0	-72.69	431.60	1.84	-70.85
C[C@@H](C(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025095920	0	57	0.0	-70.72	449.78	2.25	-68.47
[N-]=[N+]=NCC(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NC(=O)NN2)CC1	REAL300025095923	0	48	0.0	-24.61	408.57	-2.56	-27.17
C[C@@H](C(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025095933	0	57	0.0	-70.72	449.78	2.25	-68.47
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CC[C@H](CNC(=O)C[NH+]2CCC2)CC1	REAL300025095941	1	55	0.0	-72.38	441.91	2.31	-70.07
C[C@H](C(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025095946	0	57	0.0	-70.80	449.74	2.26	-68.54
CC[N@H+](C)CC(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025095958	0	57	0.0	-71.95	449.34	2.52	-69.43
CC[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025095958	1	57	0.0	-71.95	449.34	2.52	-69.43
C[C@@H](C(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025096095	0	57	0.0	-70.72	449.78	2.25	-68.47
CC[N@H+](C)CC(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025096114	0	57	0.0	-71.95	449.34	2.52	-69.43
CC[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025096114	1	57	0.0	-71.95	449.34	2.52	-69.43
C[C@H](C(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025096127	0	57	0.0	-70.80	449.74	2.26	-68.54
[N-]=[N+]=NCC(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NC(=O)NN2)CC1	REAL300025096151	0	48	0.0	-24.61	408.57	-2.56	-27.17
C[NH+](C)CC(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025096178	0	54	0.0	-72.69	431.60	1.84	-70.85
C[C@@H](C(=O)NC[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025096181	0	57	0.0	-70.72	449.78	2.25	-68.47
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CC[C@H](CNC(=O)C[NH+]2CCC2)CC1	REAL300025096188	1	55	0.0	-72.38	441.91	2.31	-70.07
C[NH+](C)CC(=O)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300025096258	0	51	0.0	-70.40	427.75	3.71	-66.69
[N-]=[N+]=NCC(=O)N(CCNC(=O)CSC1=NC(=O)NN1)CC1=CC=CC=C1	REAL300025096263	0	45	0.0	-25.14	399.76	-0.90	-26.04
[N-]=[N+]=NCC(=O)NCCN(CC1=CC=CC=C1)C(=O)CSC1=NC(=O)NN1	REAL300025096332	0	45	0.0	-25.31	400.91	-0.77	-26.08
C[NH+](C)CC(=O)NCCN(CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025096343	0	51	0.0	-75.23	423.92	3.64	-71.59
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096515	0	50	0.0	-65.60	396.58	2.82	-62.78
C[N@H+]1CCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096515	1	50	0.0	-69.83	396.70	2.88	-66.95
C[N@@H+]1CCOC(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025096539	1	51	0.0	-77.41	398.36	2.10	-75.31
C[N@H+]1CCOC(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025096539	1	51	0.0	-77.83	398.53	2.13	-75.70
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096678	1	48	0.0	-68.30	403.42	3.61	-64.69
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC[N@@H+]1C	REAL300025096697	0	53	0.0	-80.94	409.40	2.98	-77.96
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC[N@H+]1C	REAL300025096697	1	53	0.0	-75.22	416.33	3.23	-71.99
C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CCC1	REAL300025096718	0	53	0.0	-72.82	399.33	2.82	-70.00
CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025096720	0	55	0.0	-70.65	409.64	3.71	-66.94
C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CCC1	REAL300025096730	0	53	0.0	-69.53	420.12	4.00	-65.53
C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CCC1	REAL300025096730	1	53	0.0	-72.46	418.67	4.03	-68.43
C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC1	REAL300025096756	0	53	0.0	-81.76	413.95	3.39	-78.37
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096762	0	53	0.0	-72.13	414.18	3.54	-68.59
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096762	1	53	0.0	-70.55	402.55	3.11	-67.44
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096779	1	48	0.0	-70.46	404.41	4.41	-66.05
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025096789	0	53	0.0	-76.08	419.16	3.63	-72.45
C[N@H+]1CCC(CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025096789	1	53	0.0	-76.85	418.84	3.68	-73.17
CCC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025096792	0	52	0.0	-72.59	402.03	3.09	-69.50
C[NH+](C)CCCCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096806	0	55	0.0	-76.20	437.80	4.20	-72.00
CC(C)C(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025096810	0	55	0.0	-70.37	415.17	3.42	-66.95
CCC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096811	0	55	0.0	-76.77	434.04	4.04	-72.73
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096811	1	55	0.0	-76.78	434.05	4.05	-72.73
CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096812	0	52	0.0	-74.46	411.67	3.46	-71.00
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096812	1	52	0.0	-74.47	411.66	3.45	-71.02
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096827	0	50	0.0	-73.34	390.89	2.56	-70.78
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096827	1	50	0.0	-71.31	393.94	2.80	-68.51
CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096839	0	52	0.0	-71.55	409.82	3.33	-68.22
C[NH+](C)CC1(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC1	REAL300025096893	0	53	0.0	-67.86	423.08	3.65	-64.21
C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC1	REAL300025096917	0	53	0.0	-81.76	413.95	3.39	-78.37
CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025096932	0	55	0.0	-63.70	419.06	3.52	-60.18
CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096960	0	52	0.0	-75.95	412.55	3.31	-72.64
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096960	1	52	0.0	-76.03	412.54	3.31	-72.72
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096971	0	53	0.0	-70.19	420.90	3.72	-66.47
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025096971	1	53	0.0	-70.07	412.52	3.39	-66.68
CC1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025096972	0	53	0.0	-70.94	419.92	3.65	-67.29
CC1CC[N@@H+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025096972	1	53	0.0	-73.36	417.54	3.70	-69.66
CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025096974	0	52	0.0	-74.36	404.79	3.11	-71.25
C[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097011	0	46	0.0	-74.13	374.13	2.02	-72.11
CN1C=C[N+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)=C1	REAL300025097012	0	48	0.0	-72.32	403.67	5.56	-66.76
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097015	0	53	0.0	-75.28	406.55	3.39	-71.89
C[N@H+]1CCCC(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097015	1	53	0.0	-73.98	414.61	3.37	-70.61
CC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+]1CCC1	REAL300025097023	1	50	0.0	-71.44	395.71	2.77	-68.67
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097026	0	55	0.0	-74.39	413.47	3.25	-71.14
C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CC1	REAL300025097033	0	50	0.0	-72.15	401.87	3.48	-68.67
C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CC1	REAL300025097033	1	50	0.0	-71.90	401.86	3.46	-68.44
C[NH+]1CC(CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097044	0	50	0.0	-76.51	405.55	2.85	-73.66
C[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025097056	0	49	0.0	-67.73	392.04	2.43	-65.30
[N-]=[N+]=NCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NC(=O)NN3)C[C@@H]2C1	REAL300025097063	0	40	0.0	-26.85	351.08	-2.40	-29.25
C[N@H+](CCO)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097095	0	53	0.0	-75.79	422.90	0.10	-75.69
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097095	1	53	0.0	-75.32	422.85	0.07	-75.25
C[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025097096	0	49	0.0	-67.73	392.04	2.43	-65.30
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097099	0	53	0.0	-69.72	403.10	3.13	-66.59
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097099	1	53	0.0	-68.59	414.42	3.58	-65.01
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@H]2C1	REAL300025097126	1	47	0.0	-74.74	382.75	2.54	-72.20
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097136	0	51	0.0	-78.63	410.82	3.58	-75.05
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097136	1	51	0.0	-72.95	412.52	3.65	-69.30
C[NH+](C)CCOCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097146	0	53	0.0	-73.81	429.99	3.12	-70.69
C[C@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025097157	0	49	0.0	-72.77	388.82	2.38	-70.39
CC1C[NH+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097174	1	50	0.0	-74.89	402.91	3.19	-71.70
C[N@H+](CCO)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097187	1	50	0.0	-74.90	400.52	-0.53	-75.43
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097187	1	50	0.0	-74.74	400.30	-0.53	-75.27
CC(CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C[NH+](C)C	REAL300025097199	0	55	0.0	-76.30	431.14	4.05	-72.25
CC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097201	0	49	0.0	-74.05	390.17	2.71	-71.34
CC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097201	1	49	0.0	-74.06	390.17	2.70	-71.36
CC[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CC1	REAL300025097211	0	53	0.0	-70.84	421.29	4.08	-66.76
CC[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CC1	REAL300025097211	1	53	0.0	-70.11	419.21	3.77	-66.34
CC[NH+](CC)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097217	0	55	0.0	-75.27	432.07	3.95	-71.32
CC1(C)C[NH+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097225	1	53	0.0	-73.97	425.50	3.67	-70.30
C[NH+](C)CC=CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097232	0	50	0.0	-76.93	409.08	3.20	-73.73
COCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097241	1	53	0.0	-74.50	422.56	1.87	-72.63
COCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097241	1	53	0.0	-75.15	422.77	1.87	-73.28
CC(CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025097250	0	55	0.0	-73.99	429.72	3.80	-70.19
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097254	1	50	0.0	-73.82	405.15	2.95	-70.87
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097254	1	50	0.0	-73.38	404.87	2.98	-70.40
C=CCC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025097279	0	53	0.0	-68.14	415.98	3.44	-64.70
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C[NH+]3CC4CC4C3)C[C@H]2C1	REAL300025097287	0	51	0.0	-68.64	409.47	3.91	-64.73
CCCC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025097293	0	55	0.0	-68.71	424.20	3.68	-65.03
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097295	0	52	0.0	-75.56	391.36	3.08	-72.48
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097305	0	53	0.0	-72.13	414.18	3.54	-68.59
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097305	1	53	0.0	-70.55	402.55	3.11	-67.44
C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC1	REAL300025097342	0	50	0.0	-78.00	397.06	2.49	-75.51
O=C(CC[NH+]1CCCC1)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097343	0	53	0.0	-75.68	421.43	3.70	-71.98
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C1)C2	REAL300025097353	0	51	0.0	-79.47	399.46	3.30	-76.17
C[N@H+]1CC2CC1(C(=O)N1C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C1)C2	REAL300025097353	1	51	0.0	-75.75	399.11	3.22	-72.53
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097389	0	52	0.0	-67.53	413.88	3.06	-64.47
CC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+]1CC(C)C1	REAL300025097412	0	53	0.0	-72.76	420.56	3.59	-69.17
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097413	1	50	0.0	-71.30	400.19	2.91	-68.39
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097413	1	50	0.0	-66.33	401.17	2.87	-63.46
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097415	0	53	0.0	-79.89	426.70	1.08	-78.81
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097445	0	53	0.0	-75.24	421.65	3.74	-71.50
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097446	0	55	0.0	-77.12	433.37	3.73	-73.39
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097616	0	50	0.0	-65.60	396.58	2.82	-62.78
C[N@H+]1CCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097616	1	50	0.0	-69.83	396.70	2.88	-66.95
C[N@@H+]1CCOC(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097642	1	51	0.0	-77.41	398.36	2.10	-75.31
C[N@H+]1CCOC(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097642	1	51	0.0	-77.83	398.53	2.13	-75.70
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097792	0	53	0.0	-76.08	419.16	3.63	-72.45
C[N@H+]1CCC(CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097792	1	53	0.0	-76.85	418.84	3.68	-73.17
CCC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025097795	0	52	0.0	-72.59	402.03	3.09	-69.50
C[NH+](C)CCCCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097805	0	55	0.0	-76.20	437.80	4.20	-72.00
CC(C)C(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025097810	0	55	0.0	-70.37	415.17	3.42	-66.95
CCC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097811	0	55	0.0	-76.77	434.04	4.04	-72.73
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097811	1	55	0.0	-76.78	434.05	4.05	-72.73
CCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097812	0	52	0.0	-74.46	411.67	3.46	-71.00
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097812	1	52	0.0	-74.47	411.66	3.45	-71.02
C[NH+](C)CC1(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC1	REAL300025097851	0	53	0.0	-67.86	423.08	3.65	-64.21
CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097857	0	52	0.0	-75.95	412.55	3.31	-72.64
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097857	1	52	0.0	-76.03	412.54	3.31	-72.72
C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC1	REAL300025097881	0	53	0.0	-81.76	413.95	3.39	-78.37
CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025097896	0	55	0.0	-63.70	419.06	3.52	-60.18
C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CCC1	REAL300025097920	0	53	0.0	-72.82	399.33	2.82	-70.00
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097945	0	53	0.0	-70.19	420.90	3.72	-66.47
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025097945	1	53	0.0	-70.07	412.52	3.39	-66.68
CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025097956	0	55	0.0	-70.65	409.64	3.71	-66.94
CC1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097964	0	53	0.0	-70.94	419.92	3.65	-67.29
CC1CC[N@@H+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025097964	1	53	0.0	-73.36	417.54	3.70	-69.66
CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025097966	0	52	0.0	-74.36	404.79	3.11	-71.25
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098005	1	48	0.0	-68.30	403.42	3.61	-64.69
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098023	1	48	0.0	-70.46	404.41	4.41	-66.05
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC[N@@H+]1C	REAL300025098024	0	53	0.0	-80.94	409.40	2.98	-77.96
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC[N@H+]1C	REAL300025098024	1	53	0.0	-75.22	416.33	3.23	-71.99
C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CCC1	REAL300025098056	0	53	0.0	-69.53	420.12	4.00	-65.53
C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CCC1	REAL300025098056	1	53	0.0	-72.46	418.67	4.03	-68.43
C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC1	REAL300025098063	0	53	0.0	-81.76	413.95	3.39	-78.37
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098076	0	50	0.0	-73.34	390.89	2.56	-70.78
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098076	1	50	0.0	-71.31	393.94	2.80	-68.51
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098119	0	53	0.0	-72.13	414.18	3.54	-68.59
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098119	1	53	0.0	-70.55	402.55	3.11	-67.44
CC1C(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC[N@@H+]1C	REAL300025098148	0	53	0.0	-73.38	410.88	3.09	-70.29
CC1C(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC[N@H+]1C	REAL300025098148	1	53	0.0	-75.15	413.69	3.60	-71.55
C[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025098189	0	49	0.0	-67.73	392.04	2.43	-65.30
O=C(CC[NH+]1CCCC1)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098207	0	53	0.0	-75.68	421.43	3.70	-71.98
C[N@H+](CCO)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098212	1	50	0.0	-74.90	400.52	-0.53	-75.43
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098212	1	50	0.0	-74.74	400.30	-0.53	-75.27
CC1C[NH+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025098258	1	50	0.0	-74.89	402.91	3.19	-71.70
CC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098292	0	49	0.0	-74.05	390.17	2.71	-71.34
CC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098292	1	49	0.0	-74.06	390.17	2.70	-71.36
COCC[N@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098345	1	53	0.0	-74.50	422.56	1.87	-72.63
COCC[N@@H+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098345	1	53	0.0	-75.15	422.77	1.87	-73.28
CC(CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025098347	0	55	0.0	-73.99	429.72	3.80	-70.19
CC[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CC1	REAL300025098352	0	53	0.0	-70.84	421.29	4.08	-66.76
CC[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CC1	REAL300025098352	1	53	0.0	-70.11	419.21	3.77	-66.34
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C1)C2	REAL300025098365	0	51	0.0	-79.47	399.46	3.30	-76.17
C[N@H+]1CC2CC1(C(=O)N1C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C1)C2	REAL300025098365	1	51	0.0	-75.75	399.11	3.22	-72.53
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098374	0	52	0.0	-67.53	413.88	3.06	-64.47
C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC1	REAL300025098380	0	50	0.0	-78.00	397.06	2.49	-75.51
C[C@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025098390	0	49	0.0	-72.77	388.82	2.38	-70.39
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098393	1	50	0.0	-73.82	405.15	2.95	-70.87
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098393	1	50	0.0	-73.38	404.87	2.98	-70.40
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098408	0	46	0.0	-70.99	383.72	-0.03	-71.02
CCCC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025098412	0	55	0.0	-68.71	424.20	3.68	-65.03
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098415	0	52	0.0	-75.56	391.36	3.08	-72.48
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098424	0	55	0.0	-77.12	433.37	3.73	-73.39
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C[NH+]3CC4CC4C3)C[C@H]2C1	REAL300025098484	0	51	0.0	-68.64	409.47	3.91	-64.73
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098494	0	53	0.0	-72.13	414.18	3.54	-68.59
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098494	1	53	0.0	-70.55	402.55	3.11	-67.44
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025098522	0	51	0.0	-78.63	410.82	3.58	-75.05
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025098522	1	51	0.0	-72.95	412.52	3.65	-69.30
[N-]=[N+]=NCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NC(=O)NN3)C[C@@H]2C1	REAL300025098529	0	40	0.0	-26.85	351.08	-2.40	-29.25
CCC1C[NH+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025098545	0	53	0.0	-75.57	425.24	3.87	-71.70
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098550	0	50	0.0	-71.49	395.33	2.88	-68.61
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098550	1	50	0.0	-73.34	390.65	2.53	-70.81
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025098593	0	53	0.0	-75.24	421.65	3.74	-71.50
C[NH+](C)CCOCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098610	0	53	0.0	-73.81	429.99	3.12	-70.69
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C[NH+]3CCCCC3)C[C@H]2C1	REAL300025098644	0	53	0.0	-73.81	414.16	3.91	-69.90
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025098645	0	53	0.0	-75.28	406.55	3.39	-71.89
C[N@H+]1CCCC(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025098645	1	53	0.0	-73.98	414.61	3.37	-70.61
CN1C=C[N+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)=C1	REAL300025098646	0	48	0.0	-72.32	403.67	5.56	-66.76
C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CC1	REAL300025098656	0	50	0.0	-72.15	401.87	3.48	-68.67
C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CC1	REAL300025098656	1	50	0.0	-71.90	401.86	3.46	-68.44
CC(CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C[NH+](C)C	REAL300025098664	0	55	0.0	-76.30	431.14	4.05	-72.25
C[NH+]1CC(CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025098714	0	50	0.0	-76.51	405.55	2.85	-73.66
C[NH+](C)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098721	0	46	0.0	-74.13	374.13	2.02	-72.11
C[N@H+](CCO)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098731	0	53	0.0	-75.79	422.90	0.10	-75.69
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098731	1	53	0.0	-75.32	422.85	0.07	-75.25
C[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025098732	0	49	0.0	-67.73	392.04	2.43	-65.30
CC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+]1CC(C)C1	REAL300025098746	0	53	0.0	-72.76	420.56	3.59	-69.17
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098747	1	50	0.0	-71.30	400.19	2.91	-68.39
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098747	1	50	0.0	-66.33	401.17	2.87	-63.46
C[NH+](C)CC=CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098749	0	50	0.0	-76.93	409.08	3.20	-73.73
CC1(C)C[NH+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025098753	1	53	0.0	-73.97	425.50	3.67	-70.30
CC[NH+](CC)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098769	0	52	0.0	-71.55	409.82	3.33	-68.22
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@H]2C1	REAL300025098774	1	47	0.0	-74.74	382.75	2.54	-72.20
CC[NH+](CC)CCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098794	0	55	0.0	-75.27	432.07	3.95	-71.32
CC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+]1CCC1	REAL300025098823	1	50	0.0	-71.44	395.71	2.77	-68.67
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098827	0	55	0.0	-74.39	413.47	3.25	-71.14
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098848	0	53	0.0	-69.72	403.10	3.13	-66.59
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098848	1	53	0.0	-68.59	414.42	3.58	-65.01
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098858	0	53	0.0	-79.89	426.70	1.08	-78.81
C=CCC(C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025098870	0	53	0.0	-68.14	415.98	3.44	-64.70
NC(=[NH2+])SCC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098893	0	44	0.0	-73.59	382.20	-1.07	-74.66
CCC1C[NH+](CC(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025098953	0	53	0.0	-75.57	425.24	3.87	-71.70
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098957	0	50	0.0	-71.49	395.33	2.88	-68.61
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025098957	1	50	0.0	-73.34	390.65	2.53	-70.81
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C[NH+]3CCCCC3)C[C@H]2C1	REAL300025098964	0	53	0.0	-73.81	414.16	3.91	-69.90
CC1C(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC[N@@H+]1C	REAL300025098968	0	53	0.0	-73.38	410.88	3.09	-70.29
CC1C(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC[N@H+]1C	REAL300025098968	1	53	0.0	-75.15	413.69	3.60	-71.55
CCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099022	0	48	0.0	-79.53	393.42	0.13	-79.40
COCCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099023	0	52	0.0	-80.24	427.09	-0.80	-81.04
CC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099024	0	45	0.0	-79.53	373.13	-0.69	-80.22
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2CC2)CC1	REAL300025099025	0	49	0.0	-79.44	403.94	0.90	-78.54
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2CCC2)CC1	REAL300025099026	0	52	0.0	-79.44	420.14	1.40	-78.04
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2CCCC2)CC1	REAL300025099027	0	55	0.0	-79.76	436.45	2.01	-77.75
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)CC2CC2)CC1	REAL300025099028	0	52	0.0	-80.06	424.35	1.67	-78.39
CC(C)(F)C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099029	1	51	0.0	-78.74	419.08	0.85	-77.89
CC(F)(F)C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099030	1	48	0.0	-77.83	405.26	0.32	-77.51
COCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099031	0	49	0.0	-83.45	406.14	-0.51	-83.96
CCCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099032	0	51	0.0	-79.53	414.91	0.89	-78.64
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2=CC=CO2)CC1	REAL300025099033	1	49	0.0	-80.00	413.03	0.44	-79.56
CC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099034	0	52	0.0	-83.11	431.79	-2.19	-85.30
CC(C)CC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099035	0	54	0.0	-79.02	431.64	1.48	-77.54
CC1CC1C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099036	0	52	0.0	-77.29	425.76	1.61	-75.68
CCOCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099037	0	52	0.0	-83.40	427.99	0.45	-82.95
CC(C)=CC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099038	0	52	0.0	-77.85	422.83	1.44	-76.41
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2CCCO2)CC1	REAL300025099039	0	53	0.0	-84.29	429.43	0.70	-83.59
CSCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099040	0	49	0.0	-83.00	416.48	0.55	-82.45
CC(C)CCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099041	0	57	0.0	-79.69	453.98	2.18	-77.51
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2=CC=CN2)CC1	REAL300025099042	0	50	0.0	-84.04	415.92	0.23	-83.81
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2=COC=C2)CC1	REAL300025099043	1	49	0.0	-84.76	412.20	0.40	-84.36
CCCCCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099044	0	57	0.0	-79.65	457.91	2.45	-77.20
CC(C)(C)CC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099045	0	57	0.0	-78.28	446.61	2.00	-76.28
CCCCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099046	0	54	0.0	-79.68	436.41	1.67	-78.01
CC(C)C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099047	0	51	0.0	-79.52	412.96	0.80	-78.72
CCC(C)C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099048	0	54	0.0	-79.54	431.09	1.45	-78.09
CCC(CC)C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099049	0	57	0.0	-79.56	446.94	1.93	-77.63
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2=CC=NN2)CC1	REAL300025099050	0	49	0.0	-83.31	411.08	-1.05	-84.36
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2=CNN=C2)CC1	REAL300025099051	0	49	0.0	-82.44	410.91	-1.13	-83.57
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2=NOC=C2)CC1	REAL300025099052	1	48	0.0	-78.91	407.51	-0.32	-79.23
CCC=C(C)C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099053	0	55	0.0	-79.61	442.11	2.18	-77.43
COC(C)C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099054	0	52	0.0	-83.83	425.92	0.20	-83.63
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2CCOC2)CC1	REAL300025099055	0	53	0.0	-81.68	427.44	-0.56	-82.24
C=CCCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099056	0	52	0.0	-79.63	427.73	1.45	-78.18
C=CCOCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099057	0	53	0.0	-83.83	440.89	1.02	-82.81
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2=COC=N2)CC1	REAL300025099058	1	48	0.0	-78.90	407.82	-2.97	-81.87
CCCC(C)C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099059	0	57	0.0	-79.64	452.59	2.20	-77.44
O=C(CCC1CC1)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099060	0	55	0.0	-77.73	446.98	2.50	-75.23
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2CC=CC2)CC1	REAL300025099061	0	53	0.0	-80.31	428.95	1.89	-78.42
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)CC2CCC2)CC1	REAL300025099062	0	55	0.0	-79.40	441.78	2.22	-77.18
CC(C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025099063	0	55	0.0	-80.15	442.27	2.24	-77.91
CC=C(C)C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099064	0	52	0.0	-79.57	421.73	1.41	-78.16
CC1CC(C(=O)NCC[NH+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025099065	0	55	0.0	-79.48	441.14	2.06	-77.42
O=C(C=C1CCC1)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099066	0	53	0.0	-78.92	432.58	2.12	-76.80
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2=CCCC2)CC1	REAL300025099067	0	53	0.0	-79.67	430.00	2.00	-77.67
CC1(C)CC1C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099068	0	55	0.0	-78.32	440.53	2.12	-76.20
CC1(C)C[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099069	0	55	0.0	-78.04	440.99	2.16	-75.88
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)[C@@H]2CCCO2)CC1	REAL300025099070	0	53	0.0	-82.12	430.10	0.69	-81.43
CCC(C)CC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099071	0	57	0.0	-78.99	449.87	2.14	-76.85
C#CCCCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099072	0	53	0.0	-82.90	442.19	2.19	-80.71
CCC(C)=CC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099073	0	55	0.0	-77.78	444.42	2.21	-75.57
CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099074	0	53	0.0	-80.35	442.81	2.15	-78.20
O=C(C#CC1CC1)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099075	0	51	0.0	-80.47	432.48	2.32	-78.15
C=C(C)CCC(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099076	0	55	0.0	-79.41	449.08	2.11	-77.30
CC1(C(=O)NCC[NH+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025099077	0	52	0.0	-77.45	422.15	1.53	-75.92
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)[C@H]2CCCO2)CC1	REAL300025099078	0	53	0.0	-84.45	429.67	0.64	-83.81
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2=NNN=C2)CC1	REAL300025099079	1	48	0.0	-79.81	406.33	-2.54	-82.35
CC1(CC(=O)NCC[NH+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025099080	0	55	0.0	-79.33	444.35	2.15	-77.18
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](CCNC(=O)C2=CN=CO2)CC1	REAL300025099081	1	48	0.0	-82.68	407.82	-2.87	-85.55
C=CC(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099082	0	55	0.0	-80.69	440.61	1.76	-78.93
C[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025099083	0	52	0.0	-79.13	425.77	1.61	-77.52
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[N-]=[N+]=NCC(=O)NC1(CO)CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025099609	0	43	0.0	-21.32	367.06	-5.83	-27.15
C[C@@H](C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025099623	0	52	0.0	-61.62	408.20	-1.03	-62.65
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CC[N@H+](C)CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025099658	0	52	0.0	-61.94	407.68	-0.81	-62.75
CC[N@@H+](C)CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025099658	1	52	0.0	-62.06	407.86	-0.78	-62.84
C[NH+](C)CC=CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025099671	0	53	0.0	-67.46	427.34	-0.19	-67.65
CC[N@@H+]1CCC1C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025099675	1	53	0.0	-60.61	413.15	-0.89	-61.50
CC[N@H+]1CCC1C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025099675	1	53	0.0	-60.89	421.83	-0.41	-61.30
CC1CC[N@@H+]1CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025099714	1	53	0.0	-61.06	421.32	-0.36	-61.42
CC1CC[N@H+]1CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025099714	1	53	0.0	-61.08	421.43	-0.37	-61.45
C[N@@H+]1CCCC1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025099813	0	53	0.0	-65.57	406.32	-1.21	-66.78
C[N@H+]1CCCC1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025099813	1	53	0.0	-71.40	406.67	-1.19	-72.59
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025099963	0	53	0.0	-67.23	406.51	-1.22	-68.45
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025099963	1	53	0.0	-66.67	411.05	-0.85	-67.52
C[C@@H](C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025100014	0	52	0.0	-68.48	404.25	-1.34	-69.82
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CC[N@H+](C)CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100052	0	52	0.0	-69.52	406.00	-1.04	-70.56
CC[N@@H+](C)CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100052	1	52	0.0	-68.77	406.11	-1.01	-69.78
C[NH+](C)C1(C(=O)N2CCCC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025100078	0	53	0.0	-75.52	409.75	-1.31	-76.83
C[C@H](C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025100082	0	52	0.0	-66.88	404.21	-1.38	-68.26
CC[N@@H+]1CCC1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100084	1	53	0.0	-70.61	419.21	-0.77	-71.38
CC[N@H+]1CCC1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100084	1	53	0.0	-67.60	410.21	-1.10	-68.70
[N-]=[N+]=NCC(=O)N1CCCC(CO)(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025100129	0	43	0.0	-24.01	366.99	-5.93	-29.94
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100140	0	53	0.0	-65.91	409.89	-0.96	-66.87
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100140	1	53	0.0	-66.34	406.11	-1.21	-67.55
C[N@H+](CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025100171	0	53	0.0	-65.17	417.57	-0.30	-65.47
C[N@@H+](CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025100171	1	53	0.0	-66.79	417.81	-0.27	-67.06
C[NH+]1CC(CC(=O)N2CCCC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025100193	0	53	0.0	-71.98	419.70	-0.84	-72.82
C[NH+](C)CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100196	0	49	0.0	-69.02	388.29	-1.71	-70.73
C[C@@H](C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025100199	0	52	0.0	-68.48	404.25	-1.34	-69.82
CC1CC[N@@H+]1CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100206	1	53	0.0	-68.45	419.50	-0.65	-69.10
CC1CC[N@H+]1CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100206	1	53	0.0	-68.20	419.40	-0.59	-68.79
C[NH+](C)CC=CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100207	0	53	0.0	-75.84	424.98	-0.30	-76.14
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CCCN(C(=O)C[NH+]2CCC2)C1	REAL300025100213	1	50	0.0	-69.61	398.71	-1.22	-70.83
CC(C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025100230	1	53	0.0	-67.03	407.41	-1.16	-68.19
C[N@@H+]1CCC[C@H]1C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100281	0	53	0.0	-59.99	415.33	-0.36	-60.35
C[N@H+]1CCC[C@H]1C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100281	1	53	0.0	-61.62	407.39	-0.99	-62.61
C[N@@H+]1CCCC1C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100399	0	53	0.0	-73.03	402.61	3.37	-69.66
C[N@H+]1CCCC1C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100399	1	53	0.0	-70.31	406.44	3.72	-66.59
CCC(C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025100502	0	55	0.0	-71.65	413.46	3.92	-67.73
CCC[N@H+](C)CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100507	0	55	0.0	-74.29	422.85	4.26	-70.03
CCC[N@@H+](C)CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100507	1	55	0.0	-74.20	422.89	4.27	-69.93
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100515	0	53	0.0	-71.15	402.26	3.40	-67.75
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100515	1	53	0.0	-70.40	403.79	3.59	-66.81
CC[NH+](CC)CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100520	0	55	0.0	-72.37	415.21	3.92	-68.45
CC[N@H+](C)CCC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100578	0	55	0.0	-75.16	423.72	4.12	-71.04
CC[N@@H+](C)CCC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100578	1	55	0.0	-75.14	423.73	4.12	-71.02
CC[C@@H](C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025100581	0	55	0.0	-71.76	414.12	3.84	-67.92
C[NH+](C)CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100599	0	49	0.0	-74.61	383.64	2.84	-71.77
CC(C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025100603	1	53	0.0	-71.37	410.31	3.70	-67.67
C[N@H+](CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025100610	0	53	0.0	-71.05	412.90	4.25	-66.80
C[N@@H+](CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025100610	1	53	0.0	-71.66	413.04	4.26	-67.40
C[NH+]1CC(CC(=O)N2CCCC3C2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100616	0	53	0.0	-73.87	415.08	3.71	-70.16
C[C@@H](C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025100623	0	52	0.0	-71.49	397.94	3.17	-68.32
[N-]=[N+]=NCC(=O)N1CCCC2C1CCN2C(=O)CSC1=NC(=O)NN1	REAL300025100626	0	43	0.0	-21.66	360.60	-1.56	-23.22
C[C@@H](C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025100645	0	52	0.0	-71.49	397.94	3.17	-68.32
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C1CCCN2C(=O)C[NH+]1CCC1	REAL300025100663	1	50	0.0	-74.13	393.94	3.31	-70.82
C[C@H](C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025100674	0	52	0.0	-71.30	399.30	3.16	-68.14
CC1C[NH+](CC(=O)N2CCCC3C2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025100681	1	53	0.0	-74.50	413.74	4.01	-70.49
C[N@H+](CCO)CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100692	1	53	0.0	-74.73	411.74	0.29	-74.44
C[N@@H+](CCO)CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100692	1	53	0.0	-74.14	411.47	0.30	-73.84
CC[N@H+](C)CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100699	0	52	0.0	-73.92	401.40	3.52	-70.40
CC[N@@H+](C)CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100699	1	52	0.0	-73.86	401.39	3.51	-70.35
C[NH+](C)CC=CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100717	0	53	0.0	-76.69	418.31	4.07	-72.62
CC[N@@H+]1CCC1C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100723	1	53	0.0	-73.00	414.51	3.77	-69.23
CC[N@H+]1CCC1C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100723	1	53	0.0	-72.65	414.36	3.83	-68.82
C[NH+](C)C(C)(C)C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100737	0	55	0.0	-74.17	404.37	3.37	-70.80
C[NH+](C)C1(C(=O)N2CCCC3C2CCN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025100760	0	53	0.0	-74.35	406.76	3.61	-70.74
CC(C[NH+](C)C)C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100782	0	55	0.0	-74.63	419.62	3.87	-70.76
CC1CC[N@@H+]1CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100793	1	53	0.0	-71.76	409.43	3.65	-68.11
CC1CC[N@H+]1CC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100793	1	53	0.0	-72.72	415.20	3.91	-68.81
C[N@@H+]1CCCC1C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100908	0	53	0.0	-66.68	402.43	3.37	-63.31
C[N@H+]1CCCC1C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100908	1	53	0.0	-66.71	402.39	3.38	-63.33
CCC(C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025100982	0	55	0.0	-66.75	413.33	3.94	-62.81
CCC[N@H+](C)CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100985	0	55	0.0	-69.45	422.89	4.32	-65.13
CCC[N@@H+](C)CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025100985	1	55	0.0	-69.37	422.91	4.32	-65.05
CC[N@H+](C)CCC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101001	0	55	0.0	-71.02	423.74	4.12	-66.90
CC[N@@H+](C)CCC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101001	1	55	0.0	-71.15	423.74	4.11	-67.04
CC[C@@H](C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025101027	0	55	0.0	-68.19	415.46	4.08	-64.11
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101064	0	53	0.0	-68.99	402.23	3.37	-65.62
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101064	1	53	0.0	-66.69	406.67	3.72	-62.97
C[C@@H](C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025101109	0	52	0.0	-68.07	400.83	3.24	-64.83
C[N@H+](CCO)CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101119	1	53	0.0	-69.58	411.75	0.33	-69.25
C[N@@H+](CCO)CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101119	1	53	0.0	-69.30	411.54	0.34	-68.96
CC1C[NH+](CC(=O)N2CCC3C2CCCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025101135	1	53	0.0	-69.28	414.97	3.99	-65.29
CC[N@H+](C)CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101151	0	52	0.0	-69.03	401.39	3.58	-65.45
CC[N@@H+](C)CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101151	1	52	0.0	-69.02	401.38	3.55	-65.47
CC(C[NH+](C)C)C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101178	0	55	0.0	-70.64	422.83	4.03	-66.61
C[C@H](C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025101182	0	52	0.0	-68.70	400.30	3.22	-65.48
CC[N@@H+]1CCC1C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101185	1	53	0.0	-68.39	415.38	3.90	-64.49
CC[N@H+]1CCC1C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101185	1	53	0.0	-66.63	407.84	3.56	-63.07
[N-]=[N+]=NCC(=O)N1CCC2C1CCCN2C(=O)CSC1=NC(=O)NN1	REAL300025101235	0	43	0.0	-21.84	360.68	-1.48	-23.32
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101244	0	53	0.0	-66.64	405.76	3.74	-62.90
C[N@H+]1CCC[C@H]1C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101244	1	53	0.0	-68.95	402.24	3.40	-65.55
C[N@H+](CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025101274	0	53	0.0	-66.45	412.91	4.29	-62.16
C[N@@H+](CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025101274	1	53	0.0	-67.03	413.08	4.31	-62.72
C[NH+]1CC(CC(=O)N2CCC3C2CCCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025101298	0	53	0.0	-71.56	415.12	3.74	-67.82
C[NH+](C)CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101301	0	49	0.0	-69.99	383.71	2.91	-67.08
C[C@@H](C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025101304	0	52	0.0	-68.07	400.83	3.24	-64.83
CC1CC[N@@H+]1CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101311	1	53	0.0	-68.03	414.98	4.02	-64.01
CC1CC[N@H+]1CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101311	1	53	0.0	-68.20	415.06	3.98	-64.22
C[NH+](C)CC=CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101312	0	53	0.0	-74.39	418.88	4.09	-70.30
CC[NH+](CC)CC(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101318	0	55	0.0	-67.43	419.38	4.23	-63.20
O=C(C[NH+]1CCC1)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101319	1	50	0.0	-69.58	393.96	3.36	-66.22
CC(C(=O)N1CCC2C1CCCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025101337	1	53	0.0	-67.63	412.49	3.86	-63.77
NC(=[NH2+])SCC(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101368	0	47	0.0	-75.26	391.56	-0.10	-75.36
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101400	0	53	0.0	-69.69	405.45	3.63	-66.06
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025101400	1	53	0.0	-72.76	402.14	3.41	-69.35
C[N@@H+]1CCCC1C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101527	0	53	0.0	-62.45	398.65	2.97	-59.48
C[N@H+]1CCCC1C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101527	1	53	0.0	-68.70	412.81	3.60	-65.10
CCC(C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300025101621	0	55	0.0	-72.36	416.87	3.82	-68.54
CCC[N@H+](C)CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101625	0	55	0.0	-66.56	423.67	4.06	-62.50
CCC[N@@H+](C)CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101625	1	55	0.0	-73.18	426.78	4.54	-68.64
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101631	0	53	0.0	-67.81	408.80	3.36	-64.45
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101631	1	53	0.0	-69.14	413.35	3.68	-65.46
CC[NH+](CC)CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101634	0	55	0.0	-70.78	425.04	4.13	-66.65
CC[N@H+](C)CCC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101676	0	55	0.0	-69.18	422.03	3.81	-65.37
CC[N@@H+](C)CCC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101676	1	55	0.0	-69.03	422.03	3.80	-65.23
CC[C@@H](C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300025101679	0	55	0.0	-71.54	417.80	3.85	-67.69
C[NH+](C)CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101694	0	49	0.0	-67.01	384.45	2.65	-64.36
CC(C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+]1CCC1	REAL300025101698	1	53	0.0	-69.84	416.20	4.05	-65.79
C[N@H+](CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CC1	REAL300025101705	0	53	0.0	-68.49	418.73	4.25	-64.24
C[N@@H+](CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)C1CC1	REAL300025101705	1	53	0.0	-64.66	413.72	4.07	-60.59
C[NH+]1CC(CC(=O)N2CCC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300025101710	0	53	0.0	-69.90	413.36	3.39	-66.51
C[C@@H](C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300025101717	0	52	0.0	-69.42	398.01	2.86	-66.56
[N-]=[N+]=NCC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NC(=O)NN3)C[C@H]21	REAL300025101720	0	43	0.0	-23.05	366.46	-1.57	-24.62
C[C@@H](C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300025101736	0	52	0.0	-69.42	398.01	2.86	-66.56
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCCN(C(=O)C[NH+]3CCC3)[C@@H]2C1	REAL300025101752	1	50	0.0	-66.88	394.43	3.14	-63.74
C[C@H](C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21)[NH+](C)C	REAL300025101760	0	52	0.0	-70.24	403.42	3.47	-66.77
CC1C[NH+](CC(=O)N2CCC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)C1	REAL300025101767	1	53	0.0	-67.90	413.47	3.61	-64.29
C[N@H+](CCO)CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101777	1	53	0.0	-74.00	415.55	0.57	-73.43
C[N@@H+](CCO)CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101777	1	53	0.0	-65.91	412.30	0.09	-65.82
CC[N@H+](C)CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101782	0	52	0.0	-72.75	405.28	3.80	-68.95
CC[N@@H+](C)CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101782	1	52	0.0	-66.34	402.17	3.32	-63.02
C[NH+](C)CC=CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101797	0	53	0.0	-71.75	421.50	4.06	-67.69
CC[N@@H+]1CCC1C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101802	1	53	0.0	-67.85	407.19	3.23	-64.62
CC[N@H+]1CCC1C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101802	1	53	0.0	-69.97	412.83	3.47	-66.50
CC(C[NH+](C)C)C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101845	0	55	0.0	-71.71	425.93	3.91	-67.80
CC1CC[N@@H+]1CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101855	1	53	0.0	-71.27	420.04	3.84	-67.43
CC1CC[N@H+]1CC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025101855	1	53	0.0	-69.97	413.84	3.60	-66.37
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025101967	0	53	0.0	-61.56	407.45	3.29	-58.27
C[N@H+]1CCCC1C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025101967	1	53	0.0	-60.44	408.12	3.34	-57.10
CCC(C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300025102041	0	55	0.0	-66.64	415.60	3.89	-62.75
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102045	0	55	0.0	-61.91	427.96	4.21	-57.70
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102045	1	55	0.0	-59.59	421.25	3.98	-55.61
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102062	0	55	0.0	-63.74	428.83	4.06	-59.68
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102062	1	55	0.0	-63.99	429.56	4.10	-59.89
CC[C@@H](C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300025102103	0	55	0.0	-60.19	411.61	3.64	-56.55
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102149	0	53	0.0	-61.69	408.10	3.33	-58.36
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102149	1	53	0.0	-64.81	407.80	3.98	-60.83
C[C@@H](C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300025102204	0	52	0.0	-61.16	398.29	2.87	-58.29
C[N@H+](CCO)CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102214	1	53	0.0	-62.10	416.82	0.24	-61.86
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102214	1	53	0.0	-59.11	409.85	0.01	-59.10
CC1C[NH+](CC(=O)N2C[C@@H]3CCCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300025102230	1	53	0.0	-61.68	419.99	3.88	-57.80
CC[N@H+](C)CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102248	0	52	0.0	-61.56	406.46	3.48	-58.08
CC[N@@H+](C)CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102248	1	52	0.0	-61.48	406.46	3.47	-58.01
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102281	0	55	0.0	-63.89	423.07	4.26	-59.63
C[NH+](C)C1(C(=O)N2C[C@@H]3CCCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)CC1	REAL300025102284	0	53	0.0	-70.46	408.70	3.56	-66.90
C[C@H](C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300025102288	0	52	0.0	-67.12	403.52	3.46	-63.66
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102291	1	53	0.0	-60.93	419.92	3.74	-57.19
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102291	1	53	0.0	-59.38	411.80	3.40	-55.98
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102300	0	55	0.0	-69.03	404.82	3.91	-65.12
[N-]=[N+]=NCC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NC(=O)NN3)[C@@H]2C1	REAL300025102349	0	43	0.0	-21.35	366.46	-1.54	-22.89
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102362	0	53	0.0	-64.25	410.22	3.73	-60.52
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102362	1	53	0.0	-59.88	407.27	3.30	-56.58
C[N@H+](CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)C1CC1	REAL300025102399	0	53	0.0	-59.81	418.60	4.26	-55.55
C[N@@H+](CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)C1CC1	REAL300025102399	1	53	0.0	-64.55	416.17	4.28	-60.27
C[NH+]1CC(CC(=O)N2C[C@@H]3CCCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300025102427	0	53	0.0	-64.36	420.16	3.65	-60.71
C[NH+](C)CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102430	0	49	0.0	-68.20	387.55	3.15	-65.05
C[C@@H](C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300025102433	0	52	0.0	-61.16	398.29	2.87	-58.29
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102442	1	53	0.0	-59.10	408.47	3.39	-55.71
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102442	1	53	0.0	-57.92	408.28	3.44	-54.48
C[NH+](C)CC=CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102443	0	53	0.0	-67.36	425.09	4.02	-63.34
CC[NH+](CC)CC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102449	0	55	0.0	-65.69	419.14	4.24	-61.45
O=C(C[NH+]1CCC1)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025102450	1	50	0.0	-61.91	399.03	3.26	-58.65
CC(C(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+]1CCC1	REAL300025102473	1	53	0.0	-64.55	410.30	3.61	-60.94
NC(=[NH2+])SCC(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025102513	0	47	0.0	-74.54	395.44	0.15	-74.39
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025102541	0	53	0.0	-69.08	411.39	3.65	-65.43
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300025102541	1	53	0.0	-74.04	405.48	3.33	-70.71
C[N@@H+]1CCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025102719	0	52	0.0	-68.79	417.41	2.17	-66.62
C[N@H+]1CCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025102719	1	52	0.0	-69.15	417.91	2.27	-66.88
C[N@@H+]1CCOC(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025102743	1	53	0.0	-87.04	428.59	1.69	-85.35
C[N@H+]1CCOC(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025102743	1	53	0.0	-79.02	420.93	1.51	-77.51
CC1=[NH+]C=CN1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025102882	1	50	0.0	-69.34	424.48	3.00	-66.34
C[C@@H]1[C@H](C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025102900	0	55	0.0	-76.25	431.86	2.35	-73.90
C[C@@H]1[C@H](C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025102900	1	55	0.0	-75.26	437.46	2.62	-72.64
C[NH+](C)C1(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025102920	0	55	0.0	-72.70	422.75	2.34	-70.36
CC(C)[C@@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025102922	0	57	0.0	-69.34	436.14	2.80	-66.54
C[N@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025102931	0	55	0.0	-69.81	442.33	3.41	-66.40
C[N@@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025102931	1	55	0.0	-69.81	441.95	3.39	-66.42
C[NH+]1CCC(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025102955	0	55	0.0	-76.87	440.16	2.94	-73.93
C[N@@H+]1CCCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025102961	0	55	0.0	-72.06	428.23	2.66	-69.40
C[N@H+]1CCCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025102961	1	55	0.0	-69.00	435.48	2.92	-66.08
CC1=C[NH+]=CN1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025102978	1	50	0.0	-71.64	424.51	3.71	-67.93
C[N@@H+]1CCC(CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025102988	0	55	0.0	-75.86	442.62	3.03	-72.83
C[N@H+]1CCC(CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025102988	1	55	0.0	-75.89	442.40	3.04	-72.85
CCC(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025102991	0	54	0.0	-70.46	426.46	2.53	-67.93
C[NH+](C)CCCCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103005	0	57	0.0	-75.92	461.30	3.58	-72.34
CC(C)C(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025103008	0	57	0.0	-69.44	436.31	2.80	-66.64
CCC[N@H+](C)CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103009	0	57	0.0	-74.83	457.36	3.41	-71.42
CCC[N@@H+](C)CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103009	1	57	0.0	-74.92	457.53	3.40	-71.52
CCC[N@H+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103010	0	54	0.0	-72.00	435.32	2.84	-69.16
CCC[N@@H+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103010	1	54	0.0	-71.95	435.34	2.83	-69.12
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103025	0	52	0.0	-70.62	414.54	1.89	-68.73
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103025	1	52	0.0	-69.27	418.07	2.27	-67.00
CC[NH+](CC)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103037	0	54	0.0	-70.10	427.52	2.49	-67.61
C[NH+](C)CC1(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025103091	0	55	0.0	-72.81	443.54	3.00	-69.81
C[NH+]1CCC(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025103113	0	55	0.0	-76.87	440.16	2.94	-73.93
CC(C)[C@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025103128	0	57	0.0	-71.13	438.58	2.95	-68.18
CC[N@H+](C)CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103155	0	54	0.0	-74.30	436.18	2.67	-71.63
CC[N@@H+](C)CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103155	1	54	0.0	-74.06	435.86	2.66	-71.40
CC1CCC[N@@H+]1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103165	0	55	0.0	-68.65	442.13	3.08	-65.57
CC1CCC[N@H+]1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103165	1	55	0.0	-69.07	441.23	3.19	-65.88
CC1CC[N@H+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103166	0	55	0.0	-70.86	441.26	3.09	-67.77
CC1CC[N@@H+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103166	1	55	0.0	-71.18	442.11	3.14	-68.04
CC[C@@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025103168	0	54	0.0	-70.33	423.82	2.40	-67.93
C[NH+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103204	0	48	0.0	-72.33	395.94	1.42	-70.91
CN1C=C[N+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025103205	0	50	0.0	-69.95	427.06	4.93	-65.02
C[N@@H+]1CCCC(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103208	0	55	0.0	-70.43	432.03	3.07	-67.36
C[N@H+]1CCCC(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103208	1	55	0.0	-66.36	429.49	3.02	-63.34
CC(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025103215	0	52	0.0	-69.74	413.38	1.94	-67.80
C[NH+](C)CC(C)(C)C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103218	0	57	0.0	-73.23	434.95	2.82	-70.41
C[N@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025103225	0	52	0.0	-68.84	425.03	2.82	-66.02
C[N@@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025103225	1	52	0.0	-69.41	425.34	2.84	-66.57
C[NH+]1CC(CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103236	0	52	0.0	-73.94	427.23	2.26	-71.68
C[C@@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025103248	0	51	0.0	-70.26	411.60	1.75	-68.51
[N-]=[N+]=NCC(=O)N1CCC(CCNC(=O)CSC2=NC(=O)NN2)C1	REAL300025103255	0	42	0.0	-26.41	373.07	-3.01	-29.42
C[C@@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025103286	0	51	0.0	-70.26	411.60	1.75	-68.51
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103289	0	55	0.0	-71.57	428.49	2.67	-68.90
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103289	1	55	0.0	-68.98	435.48	2.92	-66.06
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C[NH+]2CCC2)C1	REAL300025103316	1	49	0.0	-72.17	406.08	1.90	-70.27
C[N@@H+]1CCC(=CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103325	0	53	0.0	-79.07	433.79	2.89	-76.18
C[N@H+]1CCC(=CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103325	1	53	0.0	-79.06	433.80	2.90	-76.16
C[C@H](C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025103343	0	51	0.0	-70.93	412.01	1.72	-69.21
CC1C[NH+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103359	1	52	0.0	-72.14	427.39	2.52	-69.62
C[N@H+](CCO)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103372	1	52	0.0	-72.51	424.20	-1.14	-73.65
C[N@@H+](CCO)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103372	1	52	0.0	-72.39	423.96	-1.14	-73.53
CC(CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025103384	0	57	0.0	-75.08	453.12	3.44	-71.64
CC[N@H+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103386	0	51	0.0	-71.59	413.82	2.10	-69.49
CC[N@@H+](C)CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103386	1	51	0.0	-71.57	413.84	2.09	-69.48
CC[N@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025103396	0	55	0.0	-68.18	444.53	3.44	-64.74
CC[N@@H+](CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025103396	1	55	0.0	-68.40	445.47	3.48	-64.92
CC[NH+](CC)CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103402	0	57	0.0	-73.47	449.39	3.08	-70.39
CC1(C)C[NH+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103410	1	55	0.0	-71.90	446.15	2.99	-68.91
C[NH+](C)CC=CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103417	0	52	0.0	-80.28	432.15	2.61	-77.67
CC(CCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025103434	0	57	0.0	-76.17	449.23	3.17	-73.00
CC[N@@H+]1CCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103438	0	52	0.0	-70.24	415.81	2.00	-68.24
CC[N@H+]1CCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103438	1	52	0.0	-69.43	419.14	2.00	-67.43
C=CCC(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025103459	0	55	0.0	-68.19	437.01	2.81	-65.38
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025103467	0	53	0.0	-71.79	431.58	3.32	-68.47
CCCC(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025103472	0	57	0.0	-70.92	446.35	3.18	-67.74
C[NH+](C)C(C)(C)C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103474	0	54	0.0	-72.59	415.21	1.80	-70.79
C[N@@H+]1CCCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103484	0	55	0.0	-72.06	428.23	2.66	-69.40
C[N@H+]1CCCCC1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103484	1	55	0.0	-69.00	435.48	2.92	-66.08
C[NH+](C)C1(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025103520	0	52	0.0	-73.55	416.46	1.97	-71.58
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300025103521	0	55	0.0	-73.70	444.42	3.17	-70.53
C[N@@H+]1CC2CC1(C(=O)N1CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025103531	0	53	0.0	-73.82	421.87	2.72	-71.10
C[N@H+]1CC2CC1(C(=O)N1CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025103531	1	53	0.0	-73.80	419.11	2.57	-71.23
CC(C[NH+](C)C)C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103566	0	54	0.0	-75.13	434.86	2.56	-72.57
CC(C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025103586	0	55	0.0	-69.99	443.45	2.96	-67.03
CC1CC[N@@H+]1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103587	0	52	0.0	-70.75	427.09	2.48	-68.27
CC1CC[N@H+]1CC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103587	1	52	0.0	-70.63	427.16	2.50	-68.13
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103618	0	55	0.0	-74.24	445.25	3.15	-71.09
CC(CC[NH+](C)C)C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103619	0	57	0.0	-75.86	456.48	3.17	-72.69
C[N@@H+]1CCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103788	0	52	0.0	-74.75	415.81	2.00	-72.75
C[N@H+]1CCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103788	1	52	0.0	-73.57	415.86	1.99	-71.58
C[N@@H+]1CCOC(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103814	1	53	0.0	-77.61	425.97	1.72	-75.89
C[N@H+]1CCOC(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103814	1	53	0.0	-80.49	425.94	1.73	-78.76
C[N@@H+]1CCC(CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103964	0	55	0.0	-77.76	442.89	3.01	-74.75
C[N@H+]1CCC(CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025103964	1	55	0.0	-78.71	442.41	3.04	-75.67
CCC(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025103967	0	54	0.0	-71.19	426.52	2.44	-68.75
C[NH+](C)CCCCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103977	0	57	0.0	-78.51	461.24	3.59	-74.92
CC(C)C(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025103980	0	57	0.0	-73.49	444.93	3.71	-69.78
CCC[N@H+](C)CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103981	0	57	0.0	-77.64	457.46	3.40	-74.24
CCC[N@@H+](C)CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103981	1	57	0.0	-77.69	457.47	3.40	-74.29
CCC[N@H+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103982	0	54	0.0	-74.74	435.09	2.86	-71.88
CCC[N@@H+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025103982	1	54	0.0	-74.75	435.10	2.86	-71.89
C[NH+](C)CC1(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025104021	0	55	0.0	-76.43	447.66	3.21	-73.22
CC[N@H+](C)CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104027	0	54	0.0	-76.85	435.96	2.67	-74.18
CC[N@@H+](C)CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104027	1	54	0.0	-76.90	435.96	2.67	-74.23
C[NH+]1CCC(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025104049	0	55	0.0	-80.06	440.46	3.11	-76.95
CC(C)[C@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025104064	0	57	0.0	-72.45	445.49	3.51	-68.94
C[NH+](C)C1(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025104086	0	55	0.0	-80.34	430.96	2.95	-77.39
CC1CCC[N@@H+]1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104110	0	55	0.0	-71.46	434.78	2.84	-68.62
CC1CCC[N@H+]1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104110	1	55	0.0	-72.28	441.02	3.22	-69.06
CC(C)[C@@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025104121	0	57	0.0	-72.25	442.12	3.95	-68.30
CC1CC[N@H+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025104129	0	55	0.0	-73.76	442.33	3.10	-70.66
CC1CC[N@@H+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025104129	1	55	0.0	-74.29	441.32	3.20	-71.09
CC[C@@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025104131	0	54	0.0	-73.20	430.11	3.04	-70.16
CC1=[NH+]C=CN1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104168	1	50	0.0	-71.84	425.30	3.06	-68.78
CC1=C[NH+]=CN1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104186	1	50	0.0	-74.76	424.58	3.74	-71.02
C[C@@H]1[C@H](C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025104187	0	55	0.0	-76.48	433.21	2.63	-73.85
C[C@@H]1[C@H](C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025104187	1	55	0.0	-75.53	438.06	2.88	-72.65
C[N@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025104217	0	55	0.0	-72.50	442.08	3.43	-69.07
C[N@@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025104217	1	55	0.0	-72.97	441.98	3.43	-69.54
C[NH+]1CCC(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025104223	0	55	0.0	-80.06	440.46	3.11	-76.95
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104236	0	52	0.0	-73.57	416.09	2.01	-71.56
C[N@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104236	1	52	0.0	-71.90	422.00	2.50	-69.40
C[N@@H+]1CCCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104279	0	55	0.0	-72.02	428.49	2.86	-69.16
C[N@H+]1CCCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104279	1	55	0.0	-72.05	428.35	2.87	-69.18
CC1C(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025104308	0	55	0.0	-75.58	437.98	2.90	-72.68
CC1C(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025104308	1	55	0.0	-76.33	433.70	2.63	-73.70
C[C@@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025104349	0	51	0.0	-73.67	413.76	1.85	-71.82
O=C(CC[NH+]1CCCC1)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104367	0	55	0.0	-76.91	442.59	3.05	-73.86
C[N@H+](CCO)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104372	1	52	0.0	-75.24	423.95	-1.13	-76.37
C[N@@H+](CCO)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104372	1	52	0.0	-75.42	423.73	-1.13	-76.55
CC1C[NH+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025104415	1	52	0.0	-75.07	427.13	2.54	-72.53
CC[N@H+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104447	0	51	0.0	-74.42	413.60	2.12	-72.30
CC[N@@H+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104447	1	51	0.0	-74.41	413.59	2.11	-72.30
CC(CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025104500	0	57	0.0	-75.61	453.22	3.20	-72.41
CC[N@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025104505	0	55	0.0	-70.92	441.11	3.25	-67.67
CC[N@@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025104505	1	55	0.0	-71.93	442.23	3.42	-68.51
C[N@@H+]1CC2CC1(C(=O)NCCC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025104518	0	53	0.0	-79.47	426.62	2.58	-76.89
C[N@H+]1CC2CC1(C(=O)NCCC1CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025104518	1	53	0.0	-78.85	426.96	2.57	-76.28
CC(C[NH+](C)C)C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104527	0	54	0.0	-76.70	434.28	2.72	-73.98
C[NH+](C)C1(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025104533	0	52	0.0	-79.89	419.58	2.55	-77.34
C[C@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025104543	0	51	0.0	-72.97	413.88	1.85	-71.12
CC[N@@H+]1CCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104546	1	52	0.0	-73.03	419.54	2.27	-70.76
CC[N@H+]1CCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104546	1	52	0.0	-72.94	418.94	1.99	-70.95
NC1=CC=[NH+]C=C1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104557	0	48	0.0	-77.84	403.98	-0.07	-77.91
CCCC(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025104561	0	57	0.0	-72.16	447.77	3.22	-68.94
C[NH+](C)C(C)(C)C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104564	0	54	0.0	-79.86	423.34	2.61	-77.25
CC(CC[NH+](C)C)C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104573	0	57	0.0	-76.97	455.91	3.33	-73.64
O=C(C[NH+]1CC2CC2C1)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104632	0	53	0.0	-74.97	431.19	3.32	-71.65
C[N@@H+]1CCCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104640	0	55	0.0	-72.02	428.49	2.86	-69.16
C[N@H+]1CCCCC1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104640	1	55	0.0	-72.05	428.35	2.87	-69.18
C[N@@H+]1CCC(=CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025104665	0	53	0.0	-78.81	434.52	2.97	-75.84
C[N@H+]1CCC(=CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025104665	1	53	0.0	-78.99	434.55	2.98	-76.01
[N-]=[N+]=NCC(=O)NCCC1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025104672	0	42	0.0	-26.23	373.06	-2.95	-29.18
CCC1C[NH+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025104688	1	55	0.0	-76.00	448.52	3.29	-72.71
C[N@@H+]1CCC[C@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104693	0	52	0.0	-71.16	421.82	2.41	-68.75
C[N@H+]1CCC[C@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104693	1	52	0.0	-73.49	415.63	1.98	-71.51
C[NH+](C)[C@H]1C[C@H](C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025104733	0	55	0.0	-77.14	445.80	3.17	-73.97
O=C(C[NH+]1CCCCC1)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104774	0	55	0.0	-74.59	437.96	3.32	-71.27
C[N@@H+]1CCCC(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025104775	0	55	0.0	-76.15	440.26	3.05	-73.10
C[N@H+]1CCCC(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025104775	1	55	0.0	-75.86	440.23	3.04	-72.82
CN1C=C[N+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025104776	0	50	0.0	-72.57	427.10	4.95	-67.62
C[N@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025104786	0	52	0.0	-71.74	425.14	2.85	-68.89
C[N@@H+](CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025104786	1	52	0.0	-71.82	425.12	2.85	-68.97
CC(CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025104794	0	57	0.0	-77.36	453.06	3.44	-73.92
C[NH+]1CC(CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025104843	0	52	0.0	-75.86	427.32	2.27	-73.59
C[NH+](C)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104850	0	48	0.0	-75.06	395.87	1.44	-73.62
C[C@@H](C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025104858	0	51	0.0	-73.67	413.76	1.85	-71.82
CC(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025104872	0	55	0.0	-72.45	443.48	3.19	-69.26
CC1CC[N@@H+]1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104873	1	52	0.0	-72.60	421.86	2.27	-70.33
CC1CC[N@H+]1CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104873	1	52	0.0	-73.65	426.99	2.51	-71.14
C[NH+](C)CC=CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104875	0	52	0.0	-79.76	431.84	2.66	-77.10
CC1(C)C[NH+](CC(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025104879	1	55	0.0	-75.15	446.49	3.06	-72.09
CC[NH+](CC)CC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104892	0	54	0.0	-73.18	431.97	2.81	-70.37
O=C(C[NH+]1CCC1)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104897	1	49	0.0	-75.03	405.96	1.87	-73.16
CC[NH+](CC)CCC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104915	0	57	0.0	-76.46	449.47	3.09	-73.37
CC(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025104943	1	52	0.0	-73.02	426.18	2.40	-70.62
C[NH+](C)CC(C)(C)C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104947	0	57	0.0	-71.53	443.40	3.14	-68.39
C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104967	0	55	0.0	-72.57	428.34	2.85	-69.72
C[N@H+]1CCCC[C@@H]1C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025104967	1	55	0.0	-72.02	437.82	3.03	-68.99
C=CCC(C(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025104986	0	55	0.0	-70.82	439.54	2.92	-67.90
NC(=[NH2+])SCC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025105009	0	46	0.0	-77.32	403.79	-1.62	-78.94
CCC1C[NH+](CC(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025105064	0	55	0.0	-72.91	448.39	3.22	-69.69
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025105068	0	52	0.0	-68.62	417.44	2.15	-66.47
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025105068	1	52	0.0	-71.20	414.74	1.89	-69.31
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300025105075	0	55	0.0	-71.18	437.67	3.28	-67.90
CC1C(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025105079	0	55	0.0	-73.13	436.91	2.93	-70.20
CC1C(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025105079	1	55	0.0	-73.15	436.51	2.95	-70.20
CN(CC1=CC=CC=C1CNC(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025105161	0	51	0.0	-64.44	422.47	4.29	-60.15
CN(CC1=CC=CC=C1CNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300025105166	0	45	0.0	-24.48	399.43	-0.15	-24.63
CN(CC1=CC=CC=C1CNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300025105235	0	45	0.0	-23.52	398.58	-0.31	-23.83
CN(CC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300025105246	0	51	0.0	-71.20	421.98	4.01	-67.19
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(CNC(=O)C[NH+](C)C)C=C1	REAL300025105291	0	51	0.0	-71.06	429.51	2.24	-68.82
CC(NC(=O)CSC1=NC(=O)NN1)C1=CC=C(CNC(=O)CN=[N+]=[N-])C=C1	REAL300025105296	0	45	0.0	-23.64	406.48	-2.16	-25.80
CC(NC(=O)CN=[N+]=[N-])C1=CC=C(CNC(=O)CSC2=NC(=O)NN2)C=C1	REAL300025105365	0	45	0.0	-24.26	406.50	-2.15	-26.41
CC(NC(=O)C[NH+](C)C)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025105376	0	51	0.0	-73.50	429.53	2.25	-71.25
C[N@@H+]1CCCC1C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105485	0	55	0.0	-69.59	437.56	2.09	-67.50
C[N@H+]1CCCC1C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105485	1	55	0.0	-70.13	438.13	2.19	-67.94
CCC(C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025105585	0	57	0.0	-70.36	442.26	2.11	-68.25
CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105590	0	57	0.0	-73.37	451.08	2.54	-70.83
CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105590	1	57	0.0	-73.41	451.09	2.53	-70.88
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105598	0	55	0.0	-72.83	431.86	1.69	-71.14
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105598	1	55	0.0	-69.61	438.31	2.12	-67.49
CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105603	0	57	0.0	-71.62	443.44	2.20	-69.42
CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105659	0	57	0.0	-75.02	451.95	2.34	-72.68
CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105659	1	57	0.0	-75.05	451.95	2.33	-72.72
CC[C@@H](C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025105662	0	57	0.0	-70.16	442.09	2.13	-68.03
C[NH+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105680	0	51	0.0	-73.57	411.85	1.12	-72.45
CC(C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025105684	1	55	0.0	-70.53	439.54	2.20	-68.33
C[N@H+](CC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025105690	0	55	0.0	-70.32	441.13	2.53	-67.79
C[N@@H+](CC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025105690	1	55	0.0	-70.92	441.28	2.53	-68.39
C[NH+]1CC(CC(=O)N[C@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025105696	0	55	0.0	-74.46	443.15	1.94	-72.52
C[C@@H](C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025105703	0	54	0.0	-71.77	430.03	1.52	-70.25
[N-]=[N+]=NCC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NC(=O)NN2)CC1	REAL300025105706	0	45	0.0	-25.27	388.82	-3.28	-28.55
C[C@@H](C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025105724	0	54	0.0	-71.77	430.03	1.52	-70.25
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CC[C@H](NC(=O)C[NH+]2CCC2)CC1	REAL300025105742	1	52	0.0	-73.52	421.96	1.55	-71.97
C[C@H](C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025105753	0	54	0.0	-71.71	429.99	1.55	-70.16
CC1C[NH+](CC(=O)N[C@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025105759	1	55	0.0	-74.02	441.94	2.28	-71.74
CC[N@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105776	0	54	0.0	-72.93	429.59	1.80	-71.13
CC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105776	1	54	0.0	-72.96	429.59	1.80	-71.16
C[NH+](C)CC=CC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105792	0	55	0.0	-77.79	447.82	2.35	-75.44
CC[N@@H+]1CCC1C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105798	1	55	0.0	-71.63	435.14	1.68	-69.95
CC[N@H+]1CCC1C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105798	1	55	0.0	-71.22	436.42	1.76	-69.46
C[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105811	0	57	0.0	-76.95	439.05	2.28	-74.67
C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025105833	0	55	0.0	-78.08	434.23	2.82	-75.26
CC(C[NH+](C)C)C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105855	0	57	0.0	-68.52	449.52	2.51	-66.01
CC1CC[N@@H+]1CC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105864	1	55	0.0	-71.15	437.64	1.93	-69.22
CC1CC[N@H+]1CC(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105864	1	55	0.0	-71.19	437.63	1.93	-69.26
C[N@@H+]1CCCC1C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105973	0	55	0.0	-72.63	431.81	1.66	-70.97
C[N@H+]1CCCC1C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025105973	1	55	0.0	-69.87	438.13	2.18	-67.69
CCC(C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025106044	0	57	0.0	-70.90	442.36	2.10	-68.80
CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106048	0	57	0.0	-72.79	451.09	2.54	-70.25
CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106048	1	57	0.0	-72.80	451.09	2.53	-70.27
CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106065	0	57	0.0	-74.37	451.95	2.34	-72.03
CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106065	1	57	0.0	-74.40	451.95	2.32	-72.08
CC[C@@H](C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025106105	0	57	0.0	-69.23	442.02	2.17	-67.06
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106151	0	55	0.0	-70.96	431.85	1.67	-69.29
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106151	1	55	0.0	-69.90	438.19	2.17	-67.73
C[C@@H](C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025106205	0	54	0.0	-70.71	429.96	1.51	-69.20
CC1C[NH+](CC(=O)NC[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025106229	1	55	0.0	-72.83	443.16	2.23	-70.60
CC[N@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106247	0	54	0.0	-72.38	429.59	1.79	-70.59
CC[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106247	1	54	0.0	-72.40	429.58	1.79	-70.61
CC(C[NH+](C)C)C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106277	0	57	0.0	-76.83	450.26	2.39	-74.44
C[NH+](C)C1(C(=O)NC[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025106280	0	55	0.0	-73.62	438.61	1.76	-71.86
C[C@H](C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025106284	0	54	0.0	-70.73	430.02	1.51	-69.22
CC[N@@H+]1CCC1C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106287	1	55	0.0	-74.01	435.76	1.97	-72.04
CC[N@H+]1CCC1C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106287	1	55	0.0	-71.59	443.48	2.14	-69.45
C[NH+](C)C(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106295	0	57	0.0	-76.21	439.32	2.27	-73.94
[N-]=[N+]=NCC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NC(=O)NN2)CC1	REAL300025106341	0	45	0.0	-24.96	388.81	-3.29	-28.25
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106354	0	55	0.0	-69.36	437.54	2.08	-67.28
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106354	1	55	0.0	-70.99	431.83	1.66	-69.33
C[N@H+](CC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025106391	0	55	0.0	-69.71	441.12	2.53	-67.18
C[N@@H+](CC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025106391	1	55	0.0	-70.48	441.27	2.52	-67.96
C[NH+]1CC(CC(=O)NC[C@H]2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025106419	0	55	0.0	-76.33	443.29	1.94	-74.39
C[NH+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106422	0	51	0.0	-73.11	411.87	1.12	-71.99
C[C@@H](C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025106425	0	54	0.0	-70.71	429.96	1.51	-69.20
CC1CC[N@@H+]1CC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106432	1	55	0.0	-73.38	437.63	1.92	-71.46
CC1CC[N@H+]1CC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106432	1	55	0.0	-71.16	443.11	2.22	-68.94
C[NH+](C)CC=CC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106433	0	55	0.0	-77.59	447.81	2.33	-75.26
CC[NH+](CC)CC(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106439	0	57	0.0	-73.84	443.44	2.20	-71.64
O=C(C[NH+]1CCC1)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106440	1	52	0.0	-72.85	421.95	1.54	-71.31
CC(C(=O)NC[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025106462	1	55	0.0	-70.22	440.06	2.19	-68.03
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106530	0	55	0.0	-69.60	437.54	2.08	-67.52
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025106530	1	55	0.0	-72.79	431.90	1.69	-71.10
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106657	0	53	0.0	-69.16	420.39	3.94	-65.22
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106657	1	53	0.0	-71.58	419.48	3.94	-67.64
CCC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025106760	0	55	0.0	-70.91	427.50	4.10	-66.81
CCC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106765	0	55	0.0	-72.17	433.73	4.34	-67.83
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106765	1	55	0.0	-72.09	433.74	4.35	-67.74
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106773	0	53	0.0	-71.07	413.22	3.42	-67.65
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106773	1	53	0.0	-71.54	417.35	3.85	-67.69
CC[NH+](CC)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106778	0	55	0.0	-70.91	425.76	4.01	-66.90
CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106836	0	55	0.0	-73.82	434.61	4.15	-69.67
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106836	1	55	0.0	-73.90	434.61	4.16	-69.74
CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025106839	0	55	0.0	-70.56	427.18	4.08	-66.48
C[NH+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106857	0	49	0.0	-73.21	394.18	2.93	-70.28
CC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+]1CCC1	REAL300025106861	1	53	0.0	-72.68	424.03	3.87	-68.81
C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300025106868	0	53	0.0	-69.76	423.46	4.34	-65.42
C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300025106868	1	53	0.0	-69.66	423.96	4.35	-65.31
C[NH+]1CC(CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300025106874	0	53	0.0	-74.02	425.60	3.67	-70.35
C[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025106881	0	52	0.0	-73.25	412.41	3.32	-69.93
[N-]=[N+]=NCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300025106884	0	43	0.0	-24.69	371.48	-1.48	-26.17
C[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025106903	0	52	0.0	-73.25	412.41	3.32	-69.93
O=C(C[NH+]1CCC1)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106921	1	50	0.0	-72.37	404.82	3.40	-68.97
C[C@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025106932	0	52	0.0	-72.81	411.76	3.32	-69.49
CC1C[NH+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300025106939	1	53	0.0	-72.37	424.52	4.06	-68.31
C[N@H+](CCO)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106950	1	53	0.0	-72.47	422.59	0.36	-72.11
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106950	1	53	0.0	-72.65	422.38	0.37	-72.28
CC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106957	0	52	0.0	-71.80	412.23	3.60	-68.20
CC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106957	1	52	0.0	-71.70	412.23	3.59	-68.11
C[NH+](C)CC=CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106975	0	53	0.0	-76.65	431.63	4.16	-72.49
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106981	1	53	0.0	-72.32	425.76	3.89	-68.43
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106981	1	53	0.0	-69.85	418.30	3.53	-66.32
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025106995	0	55	0.0	-76.69	416.77	3.90	-72.79
C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC3)CC1	REAL300025107018	0	53	0.0	-75.42	411.36	3.78	-71.64
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025107040	0	55	0.0	-73.77	430.64	3.99	-69.78
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025107051	1	53	0.0	-70.20	419.98	3.75	-66.45
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025107051	1	53	0.0	-69.91	420.87	3.82	-66.09
C[N@@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107166	0	53	0.0	-74.57	416.03	3.70	-70.87
C[N@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107166	1	53	0.0	-76.38	412.56	3.40	-72.98
CCC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025107240	0	55	0.0	-76.23	423.93	3.90	-72.33
CCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107244	0	55	0.0	-72.23	433.49	4.28	-67.95
CCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107244	1	55	0.0	-78.12	433.41	4.27	-73.85
CC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107261	0	55	0.0	-80.09	434.23	4.12	-75.97
CC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107261	1	55	0.0	-80.02	434.23	4.11	-75.91
CC[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025107302	0	55	0.0	-75.69	422.07	3.87	-71.82
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107348	0	53	0.0	-69.89	413.05	3.38	-66.51
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107348	1	53	0.0	-68.70	413.83	3.57	-65.13
C[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025107403	0	52	0.0	-70.00	410.86	3.21	-66.79
C[N@H+](CCO)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107413	1	53	0.0	-78.72	422.26	0.29	-78.43
C[N@@H+](CCO)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107413	1	53	0.0	-72.34	422.13	0.30	-72.04
CC1C[NH+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025107429	1	53	0.0	-78.23	425.44	3.94	-74.29
CC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107447	0	52	0.0	-71.92	411.99	3.54	-68.38
CC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107447	1	52	0.0	-77.70	411.91	3.53	-74.17
CC(C[NH+](C)C)C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107480	0	55	0.0	-73.00	430.39	3.88	-69.12
C[NH+](C)C1(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)CC1	REAL300025107483	0	53	0.0	-72.40	417.03	3.62	-68.78
C[C@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025107487	0	52	0.0	-69.94	410.89	3.19	-66.75
CC[N@@H+]1CCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107490	0	53	0.0	-69.26	418.51	3.54	-65.72
CC[N@H+]1CCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107490	1	53	0.0	-75.06	417.20	3.49	-71.57
C[NH+](C)C(C)(C)C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107499	0	55	0.0	-79.12	414.47	3.33	-75.79
[N-]=[N+]=NCC(=O)N1CCC2(CN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025107548	0	43	0.0	-26.42	371.14	-1.55	-27.97
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107561	0	53	0.0	-69.34	419.56	3.78	-65.56
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107561	1	53	0.0	-76.34	412.56	3.40	-72.94
C[N@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C1CC1	REAL300025107598	0	53	0.0	-74.66	423.42	4.25	-70.41
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C1CC1	REAL300025107598	1	53	0.0	-75.54	423.56	4.26	-71.28
C[NH+]1CC(CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025107626	0	53	0.0	-79.19	425.47	3.72	-75.47
C[NH+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107629	0	49	0.0	-78.38	394.13	2.84	-75.54
C[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025107632	0	52	0.0	-70.00	410.86	3.21	-66.79
CC1CC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107641	0	53	0.0	-75.77	420.06	3.65	-72.12
CC1CC[N@H+]1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107641	1	53	0.0	-75.83	419.96	3.66	-72.17
C[NH+](C)CC=CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107642	0	53	0.0	-76.17	429.02	4.07	-72.10
CC[NH+](CC)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025107648	0	55	0.0	-75.83	429.87	4.19	-71.64
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C[NH+]1CCC1)CC2	REAL300025107649	1	50	0.0	-72.03	404.63	3.25	-68.78
CC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+]1CCC1	REAL300025107672	0	53	0.0	-75.89	421.52	3.72	-72.17
NC(=[NH2+])SCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025107712	0	47	0.0	-75.20	402.70	-0.18	-75.38
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025107744	0	53	0.0	-69.16	420.40	3.93	-65.23
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025107744	1	53	0.0	-72.44	413.25	3.41	-69.03
C[N@@H+]1CCCC1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025107920	0	50	0.0	-67.44	397.70	0.12	-67.32
C[N@H+]1CCCC1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025107920	1	50	0.0	-68.16	398.46	0.20	-67.96
CC1=[NH+]C=CN1CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108071	1	48	0.0	-68.19	401.02	0.76	-67.43
C[C@@H]1[C@H](C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025108089	0	53	0.0	-77.24	408.69	0.11	-77.13
C[C@@H]1[C@H](C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025108089	1	53	0.0	-74.21	413.86	0.62	-73.59
C[NH+](C)C1(C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025108106	0	53	0.0	-77.48	404.79	1.22	-76.26
C[N@H+](CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025108116	0	53	0.0	-68.91	417.83	1.12	-67.79
C[N@@H+](CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025108116	1	53	0.0	-69.31	417.73	1.13	-68.18
C[NH+]1CCC(C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025108137	0	53	0.0	-78.75	416.15	0.80	-77.95
C[N@@H+]1CCCCC1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108143	0	53	0.0	-67.35	413.76	0.78	-66.57
C[N@H+]1CCCCC1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108143	1	53	0.0	-68.03	414.23	0.75	-67.28
CC1=C[NH+]=CN1CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108160	1	48	0.0	-70.94	401.37	1.49	-69.45
C[N@@H+]1CCC(CC(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025108169	0	53	0.0	-76.73	418.02	0.74	-75.99
C[N@H+]1CCC(CC(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025108169	1	53	0.0	-76.79	418.48	0.75	-76.04
CCC(C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025108172	0	52	0.0	-70.07	404.98	0.35	-69.72
CCC[N@H+](C)CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108188	0	52	0.0	-71.35	410.83	0.55	-70.80
CCC[N@@H+](C)CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108188	1	52	0.0	-71.30	410.82	0.55	-70.75
C[N@@H+]1CCC[C@@H]1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108202	0	50	0.0	-71.16	392.08	-0.31	-71.47
C[N@H+]1CCC[C@@H]1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108202	1	50	0.0	-68.32	398.49	0.20	-68.12
CC[NH+](CC)CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108214	0	52	0.0	-69.62	402.65	0.23	-69.39
C[NH+](C)CC1(C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025108266	0	53	0.0	-73.51	422.60	1.20	-72.31
C[NH+]1CCC(C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025108287	0	53	0.0	-78.75	416.15	0.80	-77.95
CC[N@H+](C)CCC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108324	0	52	0.0	-74.32	411.69	0.36	-73.96
CC[N@@H+](C)CCC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108324	1	52	0.0	-74.35	411.71	0.36	-73.99
CC1CCC[N@@H+]1CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108332	0	53	0.0	-68.12	418.17	0.80	-67.32
CC1CCC[N@H+]1CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108332	1	53	0.0	-68.56	417.33	0.93	-67.63
CC1CC[N@H+](CC(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025108333	0	53	0.0	-70.79	418.01	0.90	-69.89
CC1CC[N@@H+](CC(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025108333	1	53	0.0	-70.85	416.99	0.89	-69.96
CC[C@@H](C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025108335	0	52	0.0	-67.47	402.13	0.16	-67.31
C[NH+](C)CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108366	0	46	0.0	-71.69	371.59	-0.86	-72.55
CN1C=C[N+](CC(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025108367	0	48	0.0	-69.39	402.82	2.65	-66.74
C[N@@H+]1CCCC(C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025108370	0	53	0.0	-73.50	416.78	0.78	-72.72
C[N@H+]1CCCC(C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025108370	1	53	0.0	-64.27	410.32	0.98	-63.29
CC(C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025108377	1	50	0.0	-68.84	400.49	0.22	-68.62
C[N@H+](CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025108385	0	50	0.0	-68.12	400.88	0.55	-67.57
C[N@@H+](CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025108385	1	50	0.0	-68.85	401.02	0.55	-68.30
C[NH+]1CC(CC(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025108395	0	50	0.0	-73.90	403.03	-0.03	-73.93
C[C@@H](C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025108406	0	49	0.0	-69.20	389.01	-0.37	-69.57
[N-]=[N+]=NCC(=O)NCC1COCCN1C(=O)CSC1=NC(=O)NN1	REAL300025108413	0	40	0.0	-25.42	348.58	-5.26	-30.68
C[C@@H](C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025108444	0	49	0.0	-69.20	389.01	-0.37	-69.57
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108447	0	53	0.0	-68.72	404.42	0.54	-68.18
C[N@H+]1CCCC[C@@H]1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108447	1	53	0.0	-67.47	413.85	0.73	-66.74
O=C(C[NH+]1CCC1)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108472	1	47	0.0	-71.98	382.40	-0.41	-72.39
C[N@@H+]1CCC(=CC(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025108479	0	51	0.0	-76.97	410.98	0.69	-76.28
C[N@H+]1CCC(=CC(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025108479	1	51	0.0	-76.94	410.02	0.72	-76.22
C[C@H](C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025108496	0	49	0.0	-70.20	390.11	-0.46	-70.66
CC1C[NH+](CC(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025108510	1	50	0.0	-72.53	401.69	0.30	-72.23
C[N@H+](CCO)CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108523	1	50	0.0	-72.28	399.67	-3.43	-75.71
C[N@@H+](CCO)CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108523	1	50	0.0	-72.15	399.87	-3.42	-75.57
CC[N@H+](C)CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108535	0	49	0.0	-71.10	389.32	-0.19	-71.29
CC[N@@H+](C)CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108535	1	49	0.0	-71.08	390.03	-0.18	-71.26
CC[N@H+](CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025108545	0	53	0.0	-67.89	420.71	1.18	-66.71
CC[N@@H+](CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025108545	1	53	0.0	-68.58	417.23	1.14	-67.44
C[NH+](C)CC=CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108564	0	50	0.0	-78.18	408.84	0.38	-77.80
CC[N@@H+]1CCC1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108581	1	50	0.0	-68.99	397.21	-0.10	-69.09
CC[N@H+]1CCC1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108581	1	50	0.0	-70.97	403.84	0.17	-70.80
C=CCC(C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025108600	0	53	0.0	-70.60	419.89	0.87	-69.73
O=C(C[NH+]1CC2CC2C1)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108607	0	51	0.0	-71.67	406.92	1.02	-70.65
C[NH+](C)C(C)(C)C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108612	0	52	0.0	-76.60	399.17	0.29	-76.31
C[N@@H+]1CCCCC1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108622	0	53	0.0	-67.35	413.76	0.78	-66.57
C[N@H+]1CCCCC1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108622	1	53	0.0	-68.03	414.23	0.75	-67.28
C[NH+](C)C1(C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025108654	0	50	0.0	-77.87	395.09	0.38	-77.49
O=C(CC[NH+]1CCCC1)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108655	0	53	0.0	-73.73	419.92	0.88	-72.85
C[N@@H+]1CC2CC1(C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025108665	0	51	0.0	-75.97	404.78	0.31	-75.66
C[N@H+]1CC2CC1(C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025108665	1	51	0.0	-76.06	402.81	0.19	-75.87
CC(C[NH+](C)C)C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108699	0	52	0.0	-65.68	409.25	0.55	-65.13
CC(C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025108718	1	53	0.0	-68.72	421.06	0.82	-67.90
CC1CC[N@@H+]1CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108719	1	50	0.0	-69.25	397.94	-0.04	-69.29
CC1CC[N@H+]1CC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025108719	1	50	0.0	-69.15	398.02	0.03	-69.12
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025108747	0	53	0.0	-74.38	421.68	0.87	-73.51
C[N@@H+]1CCCC1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025108907	0	50	0.0	-69.99	394.56	-0.17	-70.16
C[N@H+]1CCCC1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025108907	1	50	0.0	-70.60	394.61	-0.06	-70.66
C[N@@H+]1CCC(CC(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109072	0	53	0.0	-76.32	418.93	0.66	-75.66
C[N@H+]1CCC(CC(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109072	1	53	0.0	-75.68	417.86	0.72	-74.96
CCC(C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025109075	0	52	0.0	-69.69	397.80	-0.06	-69.75
CCC[N@H+](C)CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109086	0	52	0.0	-74.08	410.84	0.47	-73.61
CCC[N@@H+](C)CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109086	1	52	0.0	-74.08	410.82	0.47	-73.61
C[NH+](C)CC1(C(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025109114	0	53	0.0	-72.86	416.67	1.91	-70.95
CC[N@H+](C)CCC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109118	0	52	0.0	-76.06	411.76	0.30	-75.76
CC[N@@H+](C)CCC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109118	1	52	0.0	-76.09	411.69	0.33	-75.76
C[NH+]1CCC(C(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025109133	0	53	0.0	-72.81	414.05	1.55	-71.26
CC1CCC[N@@H+]1CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109165	0	53	0.0	-70.63	410.96	0.44	-70.19
CC1CCC[N@H+]1CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109165	1	53	0.0	-71.62	416.13	0.81	-70.81
CC1CC[N@H+](CC(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109180	0	53	0.0	-73.44	417.53	0.75	-72.69
CC1CC[N@@H+](CC(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109180	1	53	0.0	-73.74	416.83	0.78	-72.96
CC[C@@H](C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025109182	0	52	0.0	-64.44	396.31	0.74	-63.70
CC1=[NH+]C=CN1CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109214	1	48	0.0	-69.61	401.05	0.67	-68.94
CC1=C[NH+]=CN1CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109229	1	48	0.0	-71.95	401.37	1.40	-70.55
C[C@@H]1[C@H](C(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025109230	0	53	0.0	-73.90	404.16	1.15	-72.75
C[C@@H]1[C@H](C(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025109230	1	53	0.0	-77.07	413.74	0.33	-76.74
C[N@H+](CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025109250	0	53	0.0	-71.49	417.76	1.03	-70.46
C[N@@H+](CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025109250	1	53	0.0	-71.98	417.85	1.05	-70.93
C[NH+]1CCC(C(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025109255	0	53	0.0	-72.81	414.05	1.55	-71.26
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109264	0	50	0.0	-68.55	385.91	0.56	-67.99
C[N@H+]1CCC[C@@H]1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109264	1	50	0.0	-70.78	394.14	-0.12	-70.90
CC1C(C(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025109320	0	53	0.0	-74.17	404.65	1.24	-72.93
CC1C(C(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025109320	1	53	0.0	-74.96	410.44	0.64	-74.32
C[C@@H](C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025109351	0	49	0.0	-67.99	385.80	0.38	-67.61
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN1C(=O)CC[NH+]1CCCC1	REAL300025109368	0	53	0.0	-76.15	418.32	0.72	-75.43
C[N@H+](CCO)CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109373	1	50	0.0	-74.96	399.68	-3.51	-78.47
C[N@@H+](CCO)CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109373	1	50	0.0	-74.73	399.62	-3.55	-78.28
CC1C[NH+](CC(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109408	1	50	0.0	-74.50	403.36	0.16	-74.34
CC[N@H+](C)CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109431	0	49	0.0	-73.86	389.35	-0.27	-74.13
CC[N@@H+](C)CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109431	1	49	0.0	-74.07	389.87	-0.27	-74.34
CC[N@H+](CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025109475	0	53	0.0	-70.30	420.26	1.06	-69.24
CC[N@@H+](CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025109475	1	53	0.0	-69.34	411.09	1.69	-67.65
CC(C[NH+](C)C)C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109493	0	52	0.0	-62.66	405.37	0.99	-61.67
C[C@H](C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025109504	0	49	0.0	-67.67	387.79	0.37	-67.30
CC[N@@H+]1CCC1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109507	1	50	0.0	-71.74	396.22	-0.24	-71.98
CC[N@H+]1CCC1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109507	1	50	0.0	-73.91	402.43	-0.05	-73.96
NC1=CC=[NH+]C=C1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109516	0	46	0.0	-72.05	381.69	-2.10	-74.15
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN1C(=O)C[NH+]1CC2CC2C1	REAL300025109579	0	51	0.0	-74.73	407.06	0.96	-73.77
C[N@@H+]1CCCCC1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109584	0	53	0.0	-66.13	411.25	1.58	-64.55
C[N@H+]1CCCCC1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109584	1	53	0.0	-66.30	410.85	1.64	-64.66
C[N@@H+]1CCC(=CC(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109600	0	51	0.0	-69.59	407.26	1.61	-67.98
C[N@H+]1CCC(=CC(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109600	1	51	0.0	-69.65	407.65	1.57	-68.08
[N-]=[N+]=NCC(=O)N1CCOCC1CNC(=O)CSC1=NC(=O)NN1	REAL300025109605	0	40	0.0	-25.58	348.97	-5.33	-30.91
C[N@@H+]1CCC[C@H]1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109618	0	50	0.0	-69.74	393.17	-0.20	-69.94
C[N@H+]1CCC[C@H]1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109618	1	50	0.0	-73.18	391.08	-0.43	-73.61
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109648	0	53	0.0	-75.54	421.47	0.80	-74.74
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN1C(=O)C[NH+]1CCCCC1	REAL300025109679	0	53	0.0	-74.13	413.39	0.90	-73.23
C[N@@H+]1CCCC(C(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109680	0	53	0.0	-60.13	405.52	1.73	-58.40
C[N@H+]1CCCC(C(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109680	1	53	0.0	-70.39	415.67	1.26	-69.13
CN1C=C[N+](CC(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025109681	0	48	0.0	-71.14	403.44	2.56	-68.58
C[N@H+](CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025109690	0	50	0.0	-70.71	401.27	0.49	-70.22
C[N@@H+](CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025109690	1	50	0.0	-71.59	401.07	0.45	-71.14
C[NH+]1CC(CC(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109731	0	50	0.0	-74.58	403.04	-0.07	-74.65
C[NH+](C)CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109737	0	46	0.0	-74.26	372.01	-0.92	-75.18
C[C@@H](C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025109745	0	49	0.0	-67.99	385.80	0.38	-67.61
CC(C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025109755	0	53	0.0	-68.29	417.77	1.61	-66.68
CC1CC[N@@H+]1CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109756	1	50	0.0	-71.72	397.40	-0.14	-71.86
CC1CC[N@H+]1CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109756	1	50	0.0	-73.23	403.50	0.17	-73.06
C[NH+](C)CC=CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109757	0	50	0.0	-72.02	405.35	1.24	-70.78
CC1(C)C[NH+](CC(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109760	1	53	0.0	-74.65	422.02	0.63	-74.02
CC[NH+](CC)CC(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109772	0	52	0.0	-72.07	407.27	0.42	-71.65
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN1C(=O)C[NH+]1CCC1	REAL300025109777	1	47	0.0	-74.39	381.91	-0.47	-74.86
CC(C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025109807	1	50	0.0	-67.72	398.47	0.97	-66.75
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109823	0	53	0.0	-67.07	399.27	1.13	-65.94
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025109823	1	53	0.0	-66.26	411.08	1.60	-64.66
C=CCC(C(=O)N1CCOCC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025109839	0	53	0.0	-69.29	411.22	0.46	-68.83
NC(=[NH2+])SCC(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025109857	0	44	0.0	-75.30	379.51	-3.91	-79.21
CCC1C[NH+](CC(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025109906	1	53	0.0	-72.71	424.26	1.00	-71.71
C[N@@H+]1CCC[C@H]1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025109910	0	50	0.0	-67.98	397.67	0.18	-67.80
C[N@H+]1CCC[C@H]1C(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025109910	1	50	0.0	-70.83	391.94	-0.29	-71.12
O=C(C[NH+]1CCCCC1)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025109916	0	53	0.0	-71.17	413.31	1.01	-70.16
CC1C(C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025109920	0	53	0.0	-73.51	414.06	0.50	-73.01
CC1C(C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025109920	1	53	0.0	-74.53	413.40	0.88	-73.65
C[N@@H+]1CCCC1C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110159	0	52	0.0	-64.20	401.26	3.16	-61.04
C[N@H+]1CCCC1C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110159	1	52	0.0	-68.61	402.41	2.32	-66.29
CC1=[NH+]C=CN1CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110317	1	50	0.0	-67.92	410.08	3.11	-64.81
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025110333	0	55	0.0	-77.14	416.17	2.45	-74.69
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025110333	1	55	0.0	-73.62	418.61	2.84	-70.78
C[N@H+](CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025110356	0	55	0.0	-66.21	425.89	4.40	-61.81
C[N@@H+](CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025110356	1	55	0.0	-70.15	427.16	3.44	-66.71
C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025110379	0	55	0.0	-72.45	422.44	3.92	-68.53
CC1=C[NH+]=CN1CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110394	1	50	0.0	-69.75	410.44	3.84	-65.91
C[N@@H+]1CCC(CC(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025110401	0	55	0.0	-74.70	427.08	3.07	-71.63
C[N@H+]1CCC(CC(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025110401	1	55	0.0	-76.05	427.11	3.15	-72.90
CCC(C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025110404	0	54	0.0	-65.71	409.03	3.49	-62.22
C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110415	0	57	0.0	-68.95	444.41	4.62	-64.33
CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110418	0	57	0.0	-74.92	442.24	3.51	-71.41
CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110418	1	57	0.0	-74.97	442.24	3.51	-71.46
CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110419	0	54	0.0	-68.77	418.21	3.82	-64.95
CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110419	1	54	0.0	-68.67	418.27	3.85	-64.82
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110431	0	52	0.0	-68.13	397.37	2.95	-65.18
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110431	1	52	0.0	-68.71	402.41	2.32	-66.39
CC[NH+](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110439	0	54	0.0	-70.04	416.00	2.81	-67.23
C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025110484	0	55	0.0	-71.46	427.15	4.00	-67.46
C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025110498	0	55	0.0	-72.45	422.44	3.92	-68.53
CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110523	0	54	0.0	-74.14	420.74	2.78	-71.36
CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110523	1	54	0.0	-74.15	420.74	2.77	-71.38
CC1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110531	0	55	0.0	-68.23	419.39	2.87	-65.36
CC1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110531	1	55	0.0	-68.29	419.35	2.86	-65.43
CC1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025110532	0	55	0.0	-71.71	427.01	3.19	-68.52
CC1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025110532	1	55	0.0	-71.67	427.29	3.21	-68.46
CC[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025110534	0	54	0.0	-66.19	410.25	3.46	-62.73
C[NH+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110562	0	48	0.0	-68.48	379.69	2.41	-66.07
CN1C=C[N+](CC(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025110563	0	50	0.0	-69.09	411.50	4.97	-64.12
C[N@@H+]1CCCC(C(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025110566	0	55	0.0	-59.19	414.33	4.02	-55.17
C[N@H+]1CCCC(C(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025110566	1	55	0.0	-69.11	422.15	3.88	-65.23
CC(C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025110572	1	52	0.0	-66.43	404.09	3.30	-63.13
C[N@H+](CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025110581	0	52	0.0	-65.20	408.32	3.86	-61.34
C[N@@H+](CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025110581	1	52	0.0	-66.06	409.08	3.82	-62.24
C[NH+]1CC(CC(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025110590	0	52	0.0	-72.46	412.09	2.37	-70.09
C[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025110602	0	51	0.0	-65.91	395.67	2.81	-63.10
[N-]=[N+]=NCC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NC(=O)NN1	REAL300025110609	0	42	0.0	-21.38	356.64	-1.98	-23.36
C[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025110635	0	51	0.0	-65.91	395.67	2.81	-63.10
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110638	0	55	0.0	-65.35	407.89	3.48	-61.87
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110638	1	55	0.0	-64.55	419.86	3.98	-60.57
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCCN1C(=O)C[NH+]1CCC1	REAL300025110662	1	49	0.0	-72.65	391.03	1.89	-70.76
C[N@@H+]1CCC(=CC(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025110669	0	53	0.0	-68.80	417.30	3.94	-64.86
C[N@H+]1CCC(=CC(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025110669	1	53	0.0	-68.23	416.37	3.96	-64.27
C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025110684	0	51	0.0	-66.34	393.83	2.76	-63.58
CC1C[NH+](CC(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025110699	1	52	0.0	-73.23	410.98	2.60	-70.63
C[N@H+](CCO)CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110711	1	52	0.0	-69.16	407.13	-0.13	-69.29
C[N@@H+](CCO)CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110711	1	52	0.0	-69.06	407.09	-0.12	-69.18
CC(CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025110721	0	57	0.0	-67.55	435.82	4.48	-63.07
CC[N@H+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110723	0	51	0.0	-68.36	396.77	3.10	-65.26
CC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110723	1	51	0.0	-68.29	396.78	3.11	-65.18
CC[N@H+](CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025110732	0	55	0.0	-67.08	420.24	3.99	-63.09
CC[N@@H+](CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025110732	1	55	0.0	-67.91	425.58	3.24	-64.67
CC[NH+](CC)CCC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110737	0	57	0.0	-73.19	438.22	3.46	-69.73
CC1(C)C[NH+](CC(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025110745	1	55	0.0	-70.17	429.39	4.01	-66.16
C[NH+](C)CC=CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110750	0	52	0.0	-70.53	414.38	3.55	-66.98
CC(CCC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025110763	0	57	0.0	-72.15	437.81	3.29	-68.86
CC[N@@H+]1CCC1C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110767	1	52	0.0	-69.50	404.27	2.22	-67.28
CC[N@H+]1CCC1C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110767	1	52	0.0	-69.03	403.66	2.13	-66.90
C=CCC(C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025110785	0	55	0.0	-71.63	425.81	3.01	-68.62
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCCN1C(=O)C[NH+]1CC2CC2C1	REAL300025110792	0	53	0.0	-72.80	415.79	3.29	-69.51
CCCC(C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025110796	0	57	0.0	-64.87	427.72	4.05	-60.82
C[N@@H+]1CCCCC1C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110806	0	55	0.0	-65.33	408.61	3.43	-61.90
C[N@H+]1CCCCC1C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110806	1	55	0.0	-64.75	420.13	3.98	-60.77
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCCN1C(=O)CC[NH+]1CCCC1	REAL300025110838	0	55	0.0	-73.82	427.95	3.20	-70.62
CC(C[NH+](C)C)C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110872	0	54	0.0	-69.74	416.75	3.51	-66.23
CC(C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025110891	0	55	0.0	-65.59	426.49	3.89	-61.70
CC1CC[N@@H+]1CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110892	1	52	0.0	-70.03	406.70	2.26	-67.77
CC1CC[N@H+]1CC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110892	1	52	0.0	-65.97	405.39	3.23	-62.74
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025110919	0	55	0.0	-68.87	428.91	4.14	-64.73
CC(CC[NH+](C)C)C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025110920	0	57	0.0	-67.75	437.11	4.09	-63.66
C[N@@H+]1CCCC1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111085	0	52	0.0	-68.07	406.35	2.55	-65.52
C[N@H+]1CCCC1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111085	1	52	0.0	-56.08	403.42	3.58	-52.50
C[N@@H+]1CCOC(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025111111	1	53	0.0	-87.85	418.03	2.05	-85.80
C[N@H+]1CCOC(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025111111	1	53	0.0	-87.19	418.01	2.05	-85.14
C[N@@H+]1CCC(CC(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025111261	0	55	0.0	-76.21	427.65	3.19	-73.02
C[N@H+]1CCC(CC(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025111261	1	55	0.0	-66.38	425.99	4.11	-62.27
CCC(C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025111264	0	54	0.0	-68.26	411.10	2.58	-65.68
C[NH+](C)CCCCC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111274	0	57	0.0	-77.81	445.63	3.70	-74.11
CC(C)C(C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025111277	0	57	0.0	-54.88	426.67	4.92	-49.96
CCC[N@H+](C)CCC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111278	0	57	0.0	-75.75	442.24	3.55	-72.20
CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111278	1	57	0.0	-75.69	441.86	3.53	-72.16
CCC[N@H+](C)CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111279	0	54	0.0	-56.64	418.29	3.95	-52.69
CCC[N@@H+](C)CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111279	1	54	0.0	-57.95	418.90	3.93	-54.02
C[NH+](C)CC1(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025111318	0	55	0.0	-76.82	430.47	3.29	-73.53
CC[N@H+](C)CCC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111324	0	54	0.0	-74.98	420.36	2.77	-72.21
CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111324	1	54	0.0	-75.05	420.74	2.80	-72.25
C[NH+]1CCC(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025111346	0	55	0.0	-68.18	424.26	4.17	-64.01
CC(C)[C@H](C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025111361	0	57	0.0	-59.59	429.15	3.97	-55.62
C[NH+](C)C1(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025111383	0	55	0.0	-66.72	413.66	3.60	-63.12
CC1CCC[N@@H+]1CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111407	0	55	0.0	-55.86	425.03	4.30	-51.56
CC1CCC[N@H+]1CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111407	1	55	0.0	-68.08	418.95	2.93	-65.15
CC(C)[C@@H](C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025111418	0	57	0.0	-70.17	428.74	3.81	-66.36
CC1CC[N@H+](CC(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025111426	0	55	0.0	-70.49	426.50	3.19	-67.30
CC1CC[N@@H+](CC(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025111426	1	55	0.0	-57.49	425.02	4.20	-53.29
CC[C@@H](C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025111428	0	54	0.0	-67.56	411.06	2.63	-64.93
CC1=[NH+]C=CN1CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111465	1	50	0.0	-57.97	409.11	4.13	-53.84
CC1=C[NH+]=CN1CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111483	1	50	0.0	-57.20	409.43	4.86	-52.34
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025111484	0	55	0.0	-78.13	417.30	2.55	-75.58
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025111484	1	55	0.0	-56.31	418.29	3.78	-52.53
C[N@H+](CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025111514	0	55	0.0	-56.86	425.77	4.49	-52.37
C[N@@H+](CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025111514	1	55	0.0	-55.85	425.91	4.51	-51.34
C[NH+]1CCC(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025111520	0	55	0.0	-68.18	424.26	4.17	-64.01
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111533	0	52	0.0	-71.62	400.88	2.10	-69.52
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111533	1	52	0.0	-68.77	405.28	2.63	-66.14
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111576	0	55	0.0	-58.48	409.20	3.91	-54.57
C[N@H+]1CCCCC1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111576	1	55	0.0	-68.48	422.98	3.16	-65.32
CC1C(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025111605	0	55	0.0	-74.67	427.15	2.99	-71.68
CC1C(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025111605	1	55	0.0	-57.87	417.84	3.82	-54.05
C[C@@H](C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025111646	0	51	0.0	-70.39	399.01	1.94	-68.45
O=C(CC[NH+]1CCCC1)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111664	0	55	0.0	-74.60	427.95	3.25	-71.35
C[N@H+](CCO)CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111669	1	52	0.0	-57.88	407.76	-0.06	-57.94
C[N@@H+](CCO)CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111669	1	52	0.0	-57.60	406.96	-0.05	-57.65
CC1C[NH+](CC(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025111712	1	52	0.0	-73.01	410.75	2.75	-70.26
CC[N@H+](C)CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111744	0	51	0.0	-56.36	396.79	3.20	-53.16
CC[N@@H+](C)CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111744	1	51	0.0	-57.77	397.40	3.19	-54.58
CC(CCC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025111797	0	57	0.0	-78.54	433.50	3.33	-75.21
CC[N@H+](CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025111802	0	55	0.0	-70.49	421.36	3.15	-67.34
CC[N@@H+](CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025111802	1	55	0.0	-69.05	426.19	3.59	-65.46
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025111815	0	53	0.0	-61.93	409.73	3.74	-58.19
C[N@H+]1CC2CC1(C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025111815	1	53	0.0	-78.09	410.79	2.97	-75.12
CC(C[NH+](C)C)C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111824	0	54	0.0	-66.28	418.80	2.96	-63.32
C[NH+](C)C1(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025111830	0	52	0.0	-77.44	408.12	2.84	-74.60
C[C@H](C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025111840	0	51	0.0	-70.63	398.74	1.97	-68.66
CC[N@@H+]1CCC1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111843	1	52	0.0	-55.85	403.80	3.23	-52.62
CC[N@H+]1CCC1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111843	1	52	0.0	-71.64	412.30	2.62	-69.02
NC1=CC=[NH+]C=C1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111854	0	48	0.0	-76.48	389.04	0.05	-76.43
CCCC(C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025111858	0	57	0.0	-68.95	432.61	3.35	-65.60
C[NH+](C)C(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111861	0	54	0.0	-64.15	407.12	3.67	-60.48
CC(CC[NH+](C)C)C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111870	0	57	0.0	-75.56	441.02	3.45	-72.11
O=C(C[NH+]1CC2CC2C1)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111929	0	53	0.0	-72.13	416.13	3.48	-68.65
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111937	0	55	0.0	-58.48	409.20	3.91	-54.57
C[N@H+]1CCCCC1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111937	1	55	0.0	-68.48	422.98	3.16	-65.32
C[N@@H+]1CCC(=CC(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025111962	0	53	0.0	-77.81	418.95	3.13	-74.68
C[N@H+]1CCC(=CC(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025111962	1	53	0.0	-77.77	418.55	3.17	-74.60
[N-]=[N+]=NCC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NC(=O)NN1	REAL300025111969	0	42	0.0	-25.17	358.01	-2.84	-28.01
CCC1C[NH+](CC(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025111985	1	55	0.0	-73.28	433.08	3.40	-69.88
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111990	0	52	0.0	-68.82	406.08	2.59	-66.23
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025111990	1	52	0.0	-70.99	400.83	2.09	-68.90
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025112030	0	55	0.0	-74.83	429.81	3.29	-71.54
O=C(C[NH+]1CCCCC1)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025112071	0	55	0.0	-71.51	422.38	3.46	-68.05
C[N@@H+]1CCCC(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025112072	0	55	0.0	-61.21	423.63	4.16	-57.05
C[N@H+]1CCCC(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025112072	1	55	0.0	-74.31	425.20	3.22	-71.09
CN1C=C[N+](CC(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025112073	0	50	0.0	-56.07	410.91	6.02	-50.05
C[N@H+](CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025112083	0	52	0.0	-56.05	408.95	3.92	-52.13
C[N@@H+](CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025112083	1	52	0.0	-68.52	409.93	3.00	-65.52
CC(CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025112091	0	57	0.0	-76.44	437.45	3.56	-72.88
C[NH+]1CC(CC(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025112140	0	52	0.0	-74.92	411.40	2.31	-72.61
C[NH+](C)CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025112147	0	48	0.0	-72.17	380.64	1.59	-70.58
C[C@@H](C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025112155	0	51	0.0	-70.39	399.01	1.94	-68.45
CC(C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025112169	1	55	0.0	-70.10	428.94	3.30	-66.80
CC1CC[N@@H+]1CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025112170	1	52	0.0	-71.08	411.94	2.66	-68.42
CC1CC[N@H+]1CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025112170	1	52	0.0	-56.46	405.46	3.32	-53.14
C[NH+](C)CC=CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025112172	0	52	0.0	-79.13	417.88	2.84	-76.29
CC[NH+](CC)CC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025112189	0	54	0.0	-70.10	411.70	2.60	-67.50
O=C(C[NH+]1CCC1)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025112194	1	49	0.0	-72.49	390.96	2.06	-70.43
CC[NH+](CC)CCC(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025112212	0	57	0.0	-74.59	433.74	3.18	-71.41
CC(C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025112240	1	52	0.0	-69.96	408.70	2.65	-67.31
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025112244	0	57	0.0	-70.27	429.64	3.35	-66.92
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025112264	0	55	0.0	-69.57	413.55	2.99	-66.58
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025112264	1	55	0.0	-68.50	422.67	3.18	-65.32
C=CCC(C(=O)NC[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025112283	0	55	0.0	-71.94	428.61	3.21	-68.73
NC(=[NH2+])SCC(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025112306	0	46	0.0	-75.91	389.45	-1.58	-77.49
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025112356	0	52	0.0	-64.07	402.00	3.25	-60.82
C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025112356	1	52	0.0	-71.12	399.06	1.98	-69.14
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCCN1C(=O)C[NH+]1CCCCC1	REAL300025112363	0	55	0.0	-71.94	422.41	3.36	-68.58
CC1C(C(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025112366	0	55	0.0	-72.99	415.42	3.40	-69.59
CC1C(C(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025112366	1	55	0.0	-71.03	421.03	2.78	-68.25
C[N@@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112565	0	49	0.0	-64.52	399.09	0.97	-63.55
C[N@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112565	1	49	0.0	-65.87	399.89	0.99	-64.88
C[N@@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025112589	1	50	0.0	-83.81	411.03	0.37	-83.44
C[N@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025112589	1	50	0.0	-78.05	403.84	0.22	-77.83
CC(C)[N@@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112733	0	55	0.0	-62.84	431.46	1.99	-60.85
CC(C)[N@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112733	1	55	0.0	-63.66	432.36	2.04	-61.62
CC1=[NH+]C=CN1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112756	1	47	0.0	-68.13	403.33	1.23	-66.90
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2C[NH+]3CCC2CC3)CCC1	REAL300025112776	0	53	0.0	-80.99	415.11	1.42	-79.57
C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC[N@@H+]1C	REAL300025112804	0	52	0.0	-71.41	410.92	0.61	-70.80
C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC[N@H+]1C	REAL300025112804	1	52	0.0	-69.23	416.46	1.15	-68.08
CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC[N@@H+]1C	REAL300025112806	0	55	0.0	-71.81	430.93	1.63	-70.18
CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC[N@H+]1C	REAL300025112806	1	55	0.0	-70.51	439.74	1.88	-68.63
CC[N@@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025112811	1	53	0.0	-83.55	429.09	0.71	-82.84
CC[N@H+]1CCOC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025112811	1	53	0.0	-73.75	428.71	1.03	-72.72
CC1CCC(C)[NH+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112856	0	55	0.0	-63.22	430.27	1.88	-61.34
O=C(CCC[NH+]1CCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112858	0	55	0.0	-72.28	443.73	2.16	-70.12
O=C(CC[NH+]1CCCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112861	0	55	0.0	-69.35	437.01	2.33	-67.02
CC[N@@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112864	0	55	0.0	-61.50	424.45	1.99	-59.51
CC[N@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112864	1	55	0.0	-61.48	424.45	2.00	-59.48
C[NH+](C)C1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CCC1	REAL300025112874	0	52	0.0	-74.70	407.69	1.86	-72.84
CC(C)[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025112880	0	54	0.0	-69.88	419.96	1.18	-68.70
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CCC1	REAL300025112898	0	52	0.0	-65.99	419.77	1.91	-64.08
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CCC1	REAL300025112898	1	52	0.0	-65.25	419.67	1.91	-63.34
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112952	1	51	0.0	-60.59	420.75	1.69	-58.90
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112952	1	51	0.0	-65.73	425.88	2.28	-63.45
C[N@@H+]1CCCC1CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112957	0	55	0.0	-72.90	441.26	2.12	-70.78
C[N@H+]1CCCC1CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025112957	1	55	0.0	-71.53	435.05	1.64	-69.89
C[NH+]1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025112973	0	52	0.0	-75.46	418.11	1.59	-73.87
C[N@@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113000	0	52	0.0	-62.84	406.76	1.33	-61.51
C[N@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113000	1	52	0.0	-68.58	416.17	1.24	-67.34
O=C(CC[NH+]1CCOCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113053	1	53	0.0	-74.91	429.17	-0.38	-75.29
CC1=C[NH+]=CN1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113065	1	47	0.0	-65.81	403.31	2.27	-63.54
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CCC[NH+]2CCC3)CCC1	REAL300025113081	0	53	0.0	-76.26	418.47	1.65	-74.61
C[N@@H+]1CCC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113086	0	52	0.0	-69.92	419.98	1.52	-68.40
C[N@H+]1CCC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113086	1	52	0.0	-71.94	419.64	1.55	-70.39
CCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025113092	0	51	0.0	-65.92	403.59	0.70	-65.22
C[NH+](C)CCCCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113139	0	54	0.0	-74.56	439.26	1.75	-72.81
CC(C)C(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025113150	0	54	0.0	-71.61	422.97	1.80	-69.81
CCC[N@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113151	0	54	0.0	-70.44	435.15	1.89	-68.55
CCC[N@@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113151	1	54	0.0	-70.78	435.15	1.90	-68.88
CCC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113154	0	51	0.0	-67.71	412.78	1.35	-66.36
CCC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113154	1	51	0.0	-67.45	412.78	1.34	-66.11
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CC[N@H+](C2)CCC3)CCC1	REAL300025113167	0	53	0.0	-73.79	415.82	0.83	-72.96
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C23CC[N@@H+](C2)CCC3)CCC1	REAL300025113167	1	53	0.0	-74.79	414.76	1.28	-73.51
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113189	0	49	0.0	-62.26	393.41	0.55	-61.71
C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113189	1	49	0.0	-63.98	399.18	0.89	-63.09
CC[NH+](CC)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113216	0	51	0.0	-68.83	405.04	0.70	-68.13
CC1CC[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025113269	0	55	0.0	-67.36	436.31	2.44	-64.92
C[NH+](C)CC1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025113287	0	52	0.0	-74.73	424.66	1.46	-73.27
C[NH+]1CCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025113333	0	52	0.0	-75.46	418.11	1.59	-73.87
CC(C)[C@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025113348	0	54	0.0	-69.71	423.45	1.83	-67.88
CCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](CC)CC	REAL300025113375	0	57	0.0	-63.19	439.15	2.03	-61.16
CC[N@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113405	0	51	0.0	-69.88	413.65	1.14	-68.74
CC[N@@H+](C)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113405	1	51	0.0	-70.08	413.65	1.15	-68.93
CC1CCC[N@@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113428	0	52	0.0	-65.56	420.49	1.29	-64.27
CC1CCC[N@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113428	1	52	0.0	-67.29	419.05	1.40	-65.89
CC1CC[N@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113429	0	52	0.0	-69.69	419.12	1.36	-68.33
CC1CC[N@@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113429	1	52	0.0	-69.53	419.12	1.37	-68.16
CC1(C)CC[N@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113431	0	55	0.0	-66.23	438.57	2.19	-64.04
CC1(C)CC[N@@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113431	1	55	0.0	-69.46	439.17	1.86	-67.60
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)CC(C)(C)C	REAL300025113432	0	57	0.0	-68.07	441.14	2.30	-65.77
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)CC(C)(C)C	REAL300025113432	1	57	0.0	-65.78	443.64	2.59	-63.19
CC[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025113439	0	51	0.0	-67.10	406.22	1.29	-65.81
C[NH+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113511	0	45	0.0	-70.61	373.90	-0.38	-70.99
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[NH+]2CCCCCC2)CCC1	REAL300025113514	0	55	0.0	-67.79	424.63	1.99	-65.80
CN1C=C[N+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)=C1	REAL300025113517	0	47	0.0	-67.32	404.78	3.44	-63.88
C[N@@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113521	0	52	0.0	-69.04	418.02	1.56	-67.48
C[N@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113521	1	52	0.0	-60.39	411.86	1.76	-58.63
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CCC[N@@H+]2C2CC2)CCC1	REAL300025113526	0	53	0.0	-64.93	431.10	2.43	-62.50
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2CCC[N@H+]2C2CC2)CCC1	REAL300025113526	1	53	0.0	-70.88	424.14	1.49	-69.39
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+]1CCC1	REAL300025113538	1	49	0.0	-65.77	402.39	0.75	-65.02
CCC(CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)C[NH+](C)C	REAL300025113542	0	57	0.0	-75.57	444.82	2.12	-73.45
C[NH+](C)CC(C)(C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113547	0	54	0.0	-71.79	424.22	1.39	-70.40
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[NH+]2CCC(O)CC2)CCC1	REAL300025113558	1	53	0.0	-71.13	426.55	-1.52	-72.65
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CC1	REAL300025113559	0	49	0.0	-65.09	402.82	1.34	-63.75
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CC1	REAL300025113559	1	49	0.0	-64.91	402.95	1.34	-63.57
C[NH+]1CC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113573	0	49	0.0	-68.05	405.00	0.76	-67.29
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113583	0	55	0.0	-65.35	418.80	1.02	-64.33
CC(C)(C)[N@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113583	1	55	0.0	-62.44	435.68	1.61	-60.83
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025113593	0	48	0.0	-64.58	391.76	0.29	-64.29
[N-]=[N+]=NCC(=O)NCC1(NC(=O)CSC2=NC(=O)NN2)CCC1	REAL300025113600	0	39	0.0	-25.44	350.87	-4.79	-30.23
[NH2+]=C1SC=CN1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113642	0	45	0.0	-65.55	400.62	0.11	-65.44
C[N@H+](CCO)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113647	0	52	0.0	-70.82	424.00	-2.07	-72.89
C[N@@H+](CCO)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113647	1	52	0.0	-68.67	423.90	-2.07	-70.74
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025113648	0	48	0.0	-64.58	391.76	0.29	-64.29
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113651	0	52	0.0	-68.70	406.32	1.30	-67.40
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113651	1	52	0.0	-69.21	415.85	1.20	-68.01
C[N@@H+]1CCC(=CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113710	0	50	0.0	-73.61	412.32	1.47	-72.14
C[N@H+]1CCC(=CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113710	1	50	0.0	-73.37	411.35	1.50	-71.87
C[NH+](C)CCOCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113730	0	52	0.0	-73.00	429.77	0.68	-72.32
C=CCC(C)(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025113741	0	55	0.0	-77.66	427.72	2.12	-75.54
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113758	0	53	0.0	-81.52	421.21	-1.91	-83.43
CC1CN(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113775	0	49	0.0	-68.88	404.55	0.79	-68.09
CC1C[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113775	1	49	0.0	-68.88	404.55	0.79	-68.09
CN(CCO)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113792	0	49	0.0	-67.33	401.63	-2.64	-69.97
C[N@H+](CCO)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113792	1	49	0.0	-68.59	401.70	-2.64	-71.23
C[N@@H+](CCO)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113792	1	49	0.0	-68.59	401.70	-2.64	-71.23
CC[N@@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113811	0	55	0.0	-67.22	435.78	2.21	-65.01
CC[N@H+]1CCCC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113811	1	55	0.0	-67.22	435.78	2.21	-65.01
CC(CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)C[NH+](C)C	REAL300025113813	0	54	0.0	-74.21	431.08	1.62	-72.59
CC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113816	0	48	0.0	-67.17	391.28	0.59	-66.58
CC[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CC1	REAL300025113840	0	52	0.0	-65.14	419.57	1.96	-63.18
CC[NH+](CC)CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113848	0	54	0.0	-72.02	431.16	1.51	-70.51
CC1(O)CC[N@H+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025113878	0	53	0.0	-66.81	430.09	-1.65	-68.46
C[NH+](C)CC=CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113881	0	49	0.0	-74.86	411.13	0.86	-74.00
COCCN(C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113894	0	52	0.0	-68.76	423.96	-0.24	-69.00
COCC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113894	1	52	0.0	-67.39	423.88	-0.23	-67.62
COCC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113894	1	52	0.0	-67.39	423.88	-0.23	-67.62
C[NH+](C)C1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CCCC1	REAL300025113911	0	55	0.0	-79.14	425.42	2.27	-76.87
CC(CCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025113913	0	54	0.0	-77.88	427.04	1.34	-76.54
CCN1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113919	0	49	0.0	-63.32	397.95	0.67	-62.65
CC[N@@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113919	1	49	0.0	-69.71	405.51	0.64	-69.07
CC[N@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113919	1	49	0.0	-69.71	405.51	0.64	-69.07
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[N@H+]2CCCC2CO)CCC1	REAL300025113929	0	53	0.0	-65.69	423.77	-2.08	-67.77
C[NH+]1CCC(C)(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025113945	0	55	0.0	-72.82	430.81	2.00	-70.82
C=CCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025113961	0	52	0.0	-72.01	420.40	1.31	-70.70
C[N@@H+]1CC(C)(C)CC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113968	0	55	0.0	-64.60	434.18	1.49	-63.11
C[NH+](C)CCCCCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113970	0	57	0.0	-74.17	460.76	2.54	-71.63
CCCC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025113987	0	54	0.0	-63.70	425.30	1.61	-62.09
C[NH+](C)C(C)(C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113990	0	51	0.0	-72.75	401.42	0.63	-72.12
C[N@@H+]1CCCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114013	0	52	0.0	-68.58	416.17	1.24	-67.34
C[N@H+]1CC=C(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025114032	0	53	0.0	-68.08	432.62	2.26	-65.82
C[N@@H+]1CC=C(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025114032	1	53	0.0	-68.08	432.62	2.26	-65.82
O=C(C=CC[NH+]1CCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114062	0	53	0.0	-74.02	436.20	2.03	-71.99
O=C(CC[NH+]1CCCC1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114089	0	52	0.0	-69.31	421.88	1.66	-67.65
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2C[NH+]3CCN2CC3)CCC1	REAL300025114110	0	52	0.0	-71.84	410.75	-1.90	-73.74
C[N@@H+]1CC2CC1(C(=O)NCC1(NC(=O)CSC3=NNC(=O)[N-]3)CCC1)C2	REAL300025114114	0	50	0.0	-75.41	400.57	0.90	-74.51
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[N@@H+]2CC3CCC2C3)CCC1	REAL300025114119	0	53	0.0	-65.05	418.22	1.74	-63.31
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[N@@H+]2CC3C=CC2C3)CCC1	REAL300025114154	1	51	0.0	-68.41	413.20	1.59	-66.82
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C[N@H+]2CC3C=CC2C3)CCC1	REAL300025114154	1	51	0.0	-65.93	413.16	1.49	-64.44
CC(C[NH+](C)C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114184	0	51	0.0	-70.54	411.83	1.15	-69.39
C[N@@H+]1CCCCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114223	0	55	0.0	-61.00	425.65	1.68	-59.32
C[N@H+]1CCCCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114223	1	55	0.0	-58.65	425.13	2.01	-56.64
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+]1CC(C)C1	REAL300025114232	1	52	0.0	-65.92	422.77	1.31	-64.61
CC1CC[N@@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114234	1	49	0.0	-65.49	399.26	0.75	-64.74
CC1CC[N@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114234	1	49	0.0	-65.85	399.86	0.82	-65.03
C[NH+](C)CC(O)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114236	0	52	0.0	-77.69	426.04	-1.33	-79.02
CC1C[N@H+](C)CC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)O1	REAL300025114253	1	53	0.0	-79.49	425.97	0.67	-78.82
CC1C[N@@H+](C)CC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)O1	REAL300025114253	1	53	0.0	-83.56	432.13	1.12	-82.44
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025114291	0	52	0.0	-66.63	423.02	1.66	-64.97
CC(CC[NH+](C)C)C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114295	0	54	0.0	-71.32	433.59	1.82	-69.50
C[NH+]1CCN(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025114310	1	54	0.0	-68.28	432.57	-0.56	-68.84
C[N@@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114480	0	49	0.0	-67.54	393.48	0.47	-67.07
C[N@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114480	1	49	0.0	-65.05	399.35	0.97	-64.08
O=C(CC[NH+]1CCOCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114653	1	53	0.0	-73.44	428.83	-0.06	-73.50
C[N@@H+]1CCC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025114679	0	52	0.0	-72.16	420.26	1.49	-70.67
C[N@H+]1CCC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025114679	1	52	0.0	-70.77	420.22	1.22	-69.55
CCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025114685	0	51	0.0	-64.97	402.29	0.70	-64.27
C[NH+](C)CCCCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114715	0	54	0.0	-71.00	438.92	2.07	-68.93
CCC[N@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114727	0	54	0.0	-70.93	435.15	1.89	-69.04
CCC[N@@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114727	1	54	0.0	-70.74	435.15	1.89	-68.85
CCC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114729	0	51	0.0	-68.76	412.78	1.35	-67.41
CCC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114729	1	51	0.0	-69.04	412.78	1.34	-67.70
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C23CC[N@H+](C2)CCC3)CCC1	REAL300025114739	0	53	0.0	-68.51	415.02	1.17	-67.34
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C23CC[N@@H+](C2)CCC3)CCC1	REAL300025114739	1	53	0.0	-70.33	415.53	1.14	-69.19
CC1CC[NH+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025114762	0	55	0.0	-70.89	435.61	2.53	-68.36
C[NH+](C)CC1(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025114790	0	52	0.0	-72.53	426.07	1.66	-70.87
CC[N@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114804	0	51	0.0	-70.21	413.65	1.14	-69.07
CC[N@@H+](C)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114804	1	51	0.0	-71.54	413.56	1.14	-70.40
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2C[NH+]3CCC2CC3)CCC1	REAL300025114815	0	53	0.0	-72.53	415.85	1.40	-71.13
C[NH+]1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025114845	0	52	0.0	-72.70	418.73	1.29	-71.41
CCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](CC)CC	REAL300025114922	0	57	0.0	-62.87	438.75	2.23	-60.64
CC1CCC[N@@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114930	0	52	0.0	-66.79	412.60	1.00	-65.79
CC1CCC[N@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114930	1	52	0.0	-67.49	418.62	1.71	-65.78
CC(C)[N@@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114956	0	55	0.0	-65.81	415.38	2.68	-63.13
CC(C)[N@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025114956	1	55	0.0	-63.89	432.59	2.02	-61.87
CC1CC[N@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025114970	0	52	0.0	-69.37	420.68	1.28	-68.09
CC1CC[N@@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025114970	1	52	0.0	-69.83	418.61	1.73	-68.10
CC1(C)CC[N@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025114972	0	55	0.0	-68.40	439.14	2.19	-66.21
CC1(C)CC[N@@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025114972	1	55	0.0	-69.53	439.47	1.86	-67.67
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)CC(C)(C)C	REAL300025114973	0	57	0.0	-69.75	442.89	2.45	-67.30
C[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)CC(C)(C)C	REAL300025114973	1	57	0.0	-69.74	443.66	2.59	-67.15
CC[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025114979	0	51	0.0	-68.99	406.49	1.12	-67.87
CC1=[NH+]C=CN1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115051	1	47	0.0	-64.28	402.96	1.54	-62.74
CC[N@@H+]1CCOC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025115089	1	53	0.0	-77.06	429.02	0.95	-76.11
CC[N@H+]1CCOC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025115089	1	53	0.0	-81.90	429.32	0.65	-81.25
CC1=C[NH+]=CN1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115103	1	47	0.0	-70.07	403.66	1.96	-68.11
C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC[N@@H+]1C	REAL300025115107	0	52	0.0	-75.06	408.51	0.85	-74.21
C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC[N@H+]1C	REAL300025115107	1	52	0.0	-73.65	415.03	1.16	-72.49
CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC[N@@H+]1C	REAL300025115109	0	55	0.0	-72.29	430.09	1.29	-71.00
CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC[N@H+]1C	REAL300025115109	1	55	0.0	-69.98	434.42	2.14	-67.84
CC1CCC(C)[NH+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115113	0	55	0.0	-66.69	430.28	1.80	-64.89
O=C(CCC[NH+]1CCCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115115	0	55	0.0	-68.81	443.38	2.47	-66.34
O=C(CC[NH+]1CCCCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115118	0	55	0.0	-69.35	437.56	2.36	-66.99
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CCC1	REAL300025115184	0	52	0.0	-66.25	419.64	1.91	-64.34
C[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CCC1	REAL300025115184	1	52	0.0	-68.47	420.70	1.63	-66.84
C[NH+]1CCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025115206	0	52	0.0	-72.70	418.73	1.29	-71.41
C[N@@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115223	0	49	0.0	-67.24	393.63	0.42	-66.82
C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115223	1	49	0.0	-64.68	400.03	0.93	-63.75
C[N@@H+]1CCCC1CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115241	0	55	0.0	-73.48	441.01	2.42	-71.06
C[N@H+]1CCCC1CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115241	1	55	0.0	-69.36	435.66	1.64	-67.72
CC1C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC[N@@H+]1C	REAL300025115331	0	52	0.0	-72.49	411.31	0.83	-71.66
CC1C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC[N@H+]1C	REAL300025115331	1	52	0.0	-70.22	420.09	1.33	-68.89
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115370	0	55	0.0	-67.48	409.51	2.23	-65.25
CC(C)(C)[N@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115370	1	55	0.0	-67.26	406.40	2.08	-65.18
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025115383	0	48	0.0	-67.42	391.36	0.45	-66.97
C=CCC(C)(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025115395	0	55	0.0	-62.96	427.45	1.64	-61.32
O=C(CC[NH+]1CCCC1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115407	0	52	0.0	-69.82	420.29	1.55	-68.27
C[N@H+](CCO)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115415	1	49	0.0	-70.35	401.63	-2.64	-72.99
C[N@@H+](CCO)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115415	1	49	0.0	-69.39	401.27	-2.63	-72.02
C[N@H+]1CC=C(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025115456	0	53	0.0	-67.18	432.69	2.26	-64.92
C[N@@H+]1CC=C(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025115456	1	53	0.0	-66.18	433.61	1.97	-64.21
CC1C[NH+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025115495	1	49	0.0	-70.62	403.68	1.09	-69.53
CC[N@@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025115499	0	55	0.0	-68.28	435.91	1.90	-66.38
CC[N@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025115499	1	55	0.0	-68.55	436.00	2.21	-66.34
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CC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115554	0	48	0.0	-68.56	391.28	0.59	-67.97
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)CN2CC3C=CC2C3)CCC1	REAL300025115580	0	51	0.0	-67.27	412.77	1.89	-65.38
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[N@@H+]2CC3C=CC2C3)CCC1	REAL300025115580	1	51	0.0	-67.40	412.92	1.90	-65.50
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[N@H+]2CC3C=CC2C3)CCC1	REAL300025115580	1	51	0.0	-67.40	412.92	1.90	-65.50
COCCN(C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115645	0	52	0.0	-68.99	423.86	-0.28	-69.27
COCC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115645	1	52	0.0	-70.61	423.89	-0.23	-70.84
COCC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115645	1	52	0.0	-70.61	423.89	-0.23	-70.84
CC(CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025115648	0	54	0.0	-68.63	430.02	1.68	-66.95
CC[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CC1	REAL300025115660	0	52	0.0	-66.68	419.48	1.96	-64.72
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[N@@H+]2CC3CCC2C3)CCC1	REAL300025115688	0	53	0.0	-67.45	420.18	2.04	-65.41
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[N@H+]2CC3CCC2C3)CCC1	REAL300025115688	1	53	0.0	-67.45	420.18	2.04	-65.41
CC(C[NH+](C)C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115700	0	51	0.0	-69.96	411.61	0.88	-69.08
CCN1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115723	0	49	0.0	-69.59	405.10	0.91	-68.68
CC[N@@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115723	1	49	0.0	-68.15	399.07	0.34	-67.81
CC[N@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115723	1	49	0.0	-68.15	399.07	0.34	-67.81
CCC(C)(C)[NH2+]C(C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115728	0	57	0.0	-66.03	436.47	0.19	-65.84
CCCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025115756	0	54	0.0	-68.25	425.12	1.48	-66.77
CC(CC[NH+](C)C)C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115771	0	54	0.0	-70.24	433.74	1.50	-68.74
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115815	0	55	0.0	-72.00	427.67	1.48	-70.52
C[NH+](C)CCCCCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115817	0	57	0.0	-70.57	460.41	2.86	-67.71
CN1CCN(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025115824	0	54	0.0	-67.98	432.48	-0.57	-68.55
C[NH+]1CCN(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025115824	1	54	0.0	-67.98	432.48	-0.57	-68.55
CC1CN(C)CC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)O1	REAL300025115860	0	53	0.0	-82.72	425.05	1.03	-81.69
CC1C[N@H+](C)CC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)O1	REAL300025115860	1	53	0.0	-84.84	425.23	0.60	-84.24
CC1C[N@@H+](C)CC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)O1	REAL300025115860	1	53	0.0	-84.84	425.23	0.60	-84.24
C[N@@H+]1CCCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115899	0	52	0.0	-67.86	415.54	1.58	-66.28
C[N@@H+]1CCC(=CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025115945	0	50	0.0	-71.16	411.44	1.50	-69.66
C[N@H+]1CCC(=CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025115945	1	50	0.0	-71.16	411.44	1.50	-69.66
O=C(CNC1=CC=[NH+]C=C1)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115947	0	48	0.0	-68.93	409.27	-0.80	-69.73
C[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025115998	0	49	0.0	-67.52	393.53	0.46	-67.06
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025116065	0	52	0.0	-67.57	423.02	1.66	-65.91
C[N@@H+]1CC=CCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116072	0	53	0.0	-59.65	419.74	1.91	-57.74
C[N@H+]1CC=CCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116072	1	53	0.0	-59.65	419.74	1.91	-57.74
C[NH+](C)CCOCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116099	0	52	0.0	-66.72	429.43	0.91	-65.81
[NH2+]=C1SC=CN1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116116	0	45	0.0	-63.23	400.62	0.12	-63.11
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[NH+]2CCCCC2)CCC1	REAL300025116159	0	52	0.0	-69.38	415.32	1.79	-67.59
C[N@@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025116160	0	52	0.0	-62.05	412.48	1.44	-60.61
C[N@H+]1CCCC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025116160	1	52	0.0	-70.77	418.75	1.24	-69.53
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[NH+]2CCCCCC2)CCC1	REAL300025116161	0	55	0.0	-68.58	424.56	1.96	-66.62
CN1C=C[N+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)=C1	REAL300025116164	0	47	0.0	-65.21	404.78	3.44	-61.77
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[NH+]2CCC(O)CC2)CCC1	REAL300025116180	1	53	0.0	-73.17	426.36	-1.56	-74.73
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CC1	REAL300025116181	0	49	0.0	-66.64	403.16	1.01	-65.63
C[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CC1	REAL300025116181	1	49	0.0	-66.81	402.95	1.34	-65.47
CCOCC(N=[N+]=[N-])C(=O)NC1(CNC(=O)CSC2=NC(=O)NN2)CCC1	REAL300025116195	0	49	0.0	-24.34	425.84	-3.91	-28.25
CC(CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)C[NH+](C)C	REAL300025116198	0	54	0.0	-70.64	430.84	1.85	-68.79
C[N@@H+]1CCOCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116215	1	53	0.0	-75.87	424.20	-0.27	-76.14
C[N@H+]1CCOCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116215	1	53	0.0	-69.02	416.59	-0.40	-69.42
CC1(O)CC[N@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025116262	0	53	0.0	-68.45	429.39	-1.68	-70.13
CC1(O)CC[N@@H+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025116262	1	53	0.0	-71.40	429.60	-1.71	-73.11
C[NH+]1CC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025116283	0	49	0.0	-70.50	405.00	0.76	-69.74
C[NH+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116292	0	45	0.0	-69.04	373.54	-0.07	-69.11
C[N@H+](CCO)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116305	0	52	0.0	-69.11	424.00	-2.08	-71.19
C[N@@H+](CCO)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116305	1	52	0.0	-69.82	423.90	-2.07	-71.89
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025116306	0	48	0.0	-67.42	391.36	0.45	-66.97
C[N@@H+]1CCCCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116316	0	55	0.0	-65.38	425.64	1.66	-63.72
C[N@H+]1CCCCC1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116316	1	55	0.0	-60.68	425.64	1.66	-59.02
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+]1CC(C)C1	REAL300025116325	1	52	0.0	-68.07	420.78	1.62	-66.45
CC1CC[N@@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116327	1	49	0.0	-67.60	400.19	0.45	-67.15
CC1CC[N@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116327	1	49	0.0	-68.30	404.89	1.02	-67.28
C[NH+](C)CC=CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116331	0	49	0.0	-74.56	411.11	0.87	-73.69
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[N@H+]2CCCC2CO)CCC1	REAL300025116366	0	53	0.0	-66.91	419.59	-1.81	-68.72
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[N@@H+]2CCCC2CO)CCC1	REAL300025116366	1	53	0.0	-69.20	427.09	-1.77	-70.97
CC[NH+](CC)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116368	0	51	0.0	-67.59	405.18	0.95	-66.64
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C[NH+]2CCC2)CCC1	REAL300025116377	1	46	0.0	-69.14	383.85	0.41	-68.73
CC[NH+](CC)CCC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116399	0	54	0.0	-69.99	430.82	1.88	-68.11
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+]1CCC1	REAL300025116437	1	49	0.0	-67.02	401.45	1.06	-65.96
CCC(CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)C[NH+](C)C	REAL300025116442	0	57	0.0	-72.85	444.52	2.41	-70.44
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116467	0	52	0.0	-66.49	406.93	1.36	-65.13
C[N@H+]1CCCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116467	1	52	0.0	-65.28	415.45	1.53	-63.75
C[NH+](C)CC(O)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116483	0	52	0.0	-73.30	426.16	-1.07	-74.37
C=CCC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025116503	0	52	0.0	-66.71	416.76	1.19	-65.52
NC(=[NH2+])SCC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116529	0	43	0.0	-73.39	382.43	-3.51	-76.90
C[NH+](C)CCC1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025116552	0	55	0.0	-68.60	446.70	2.18	-66.42
C[N@@H+]1CC=CCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116553	0	53	0.0	-61.65	420.13	1.62	-60.03
C[N@H+]1CC=CCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116553	1	53	0.0	-61.07	419.72	1.62	-59.45
CCC1CN(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025116634	0	52	0.0	-69.69	427.10	1.49	-68.20
CCC1C[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025116634	1	52	0.0	-69.69	427.10	1.49	-68.20
C[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116639	0	49	0.0	-65.20	394.39	0.18	-65.02
CC1C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC[N@@H+]1C	REAL300025116661	0	52	0.0	-64.61	419.13	1.52	-63.09
CC1C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC[N@H+]1C	REAL300025116661	1	52	0.0	-64.61	419.13	1.52	-63.09
CN1CCOCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116689	0	53	0.0	-63.61	417.01	-0.70	-64.31
C[N@@H+]1CCOCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116689	1	53	0.0	-73.67	424.01	-0.24	-73.91
C[N@H+]1CCOCC1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025116689	1	53	0.0	-73.67	424.01	-0.24	-73.91
C[N@@H+]1CCCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025116895	0	50	0.0	-73.05	399.36	-0.29	-73.34
CC1=NC=CN1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117046	0	48	0.0	-71.37	408.82	0.81	-70.56
CC1=[NH+]C=CN1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117046	1	48	0.0	-71.37	408.82	0.81	-70.56
C[C@@H]1[C@H](C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025117064	0	53	0.0	-77.93	422.79	0.41	-77.52
C[C@@H]1[C@H](C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025117064	1	53	0.0	-77.93	422.79	0.41	-77.52
C[NH+](C)C1(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025117081	0	53	0.0	-76.70	405.10	0.21	-76.49
C[N@H+](CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025117091	0	53	0.0	-73.33	426.82	1.13	-72.20
C[N@@H+](CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025117091	1	53	0.0	-73.33	426.82	1.13	-72.20
C[NH+]1CCC(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025117112	0	53	0.0	-79.46	424.68	0.73	-78.73
C[N@@H+]1CCCCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117118	0	53	0.0	-70.74	420.13	0.75	-69.99
CC1=CN=CN1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117135	0	48	0.0	-74.24	409.14	1.53	-72.71
CC1=C[NH+]=CN1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117135	1	48	0.0	-74.24	409.14	1.53	-72.71
C[N@@H+]1CCC(CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025117144	0	53	0.0	-77.04	427.40	0.82	-76.22
C[N@H+]1CCC(CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025117144	1	53	0.0	-77.04	427.40	0.82	-76.22
CCC(C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025117147	0	52	0.0	-71.54	408.76	0.08	-71.46
CCC[N@H+](C)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117163	0	52	0.0	-75.53	419.93	0.57	-74.96
CCC[N@@H+](C)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117163	1	52	0.0	-75.35	419.66	0.64	-74.71
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117177	0	50	0.0	-73.30	398.75	-0.22	-73.52
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117177	1	50	0.0	-69.61	405.44	0.12	-69.49
CC[NH+](CC)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117189	0	52	0.0	-73.24	416.50	0.52	-72.72
C[NH+](C)CC1(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025117241	0	53	0.0	-75.27	427.73	0.68	-74.59
C[NH+]1CCC(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025117262	0	53	0.0	-79.46	424.68	0.73	-78.73
CC[N@H+](C)CCC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117299	0	52	0.0	-77.13	420.48	0.52	-76.61
CC[N@@H+](C)CCC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117299	1	52	0.0	-77.18	420.80	0.45	-76.73
CC1CCC[N@@H+]1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117307	0	53	0.0	-71.67	419.37	0.56	-71.11
CC1CCC[N@H+]1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117307	1	53	0.0	-71.60	419.08	0.62	-70.98
CC1CC[N@H+](CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025117308	0	53	0.0	-74.43	426.07	0.86	-73.57
CC1CC[N@@H+](CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025117308	1	53	0.0	-74.64	426.73	0.88	-73.76
CC[C@@H](C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025117310	0	52	0.0	-71.66	408.85	0.17	-71.49
C[NH+](C)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117341	0	46	0.0	-75.78	380.70	-0.85	-76.63
CN1C=C[N+](CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025117342	0	48	0.0	-72.70	411.97	2.70	-70.00
C[N@@H+]1CCCC(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025117345	0	53	0.0	-72.16	416.90	0.86	-71.30
C[N@H+]1CCCC(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025117345	1	53	0.0	-75.95	415.57	0.60	-75.35
CC(C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025117352	1	50	0.0	-72.52	399.50	-0.24	-72.76
C[N@H+](CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025117360	0	50	0.0	-72.06	409.97	0.56	-71.50
C[N@@H+](CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025117360	1	50	0.0	-72.12	410.00	0.58	-71.54
C[NH+]1CC(CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025117370	0	50	0.0	-76.62	411.84	-0.03	-76.65
C[C@@H](C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025117381	0	49	0.0	-73.14	397.54	-0.44	-73.58
[N-]=[N+]=NCC(=O)N1CCOC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025117388	0	40	0.0	-24.50	357.67	-5.25	-29.75
C[C@@H](C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025117419	0	49	0.0	-73.14	397.54	-0.44	-73.58
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117422	0	53	0.0	-72.67	410.03	0.28	-72.39
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117422	1	53	0.0	-71.11	420.11	0.68	-70.43
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CCC2)CCO1	REAL300025117447	1	47	0.0	-75.62	390.97	-0.38	-76.00
C[N@@H+]1CCC(=CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025117454	0	51	0.0	-78.76	417.61	0.75	-78.01
C[N@H+]1CCC(=CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025117454	1	51	0.0	-78.68	417.38	0.78	-77.90
C[C@H](C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025117471	0	49	0.0	-72.98	396.61	-0.45	-73.43
CC1C[NH+](CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025117485	1	50	0.0	-75.45	411.99	0.26	-75.19
C[N@H+](CCO)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117498	1	50	0.0	-75.90	408.78	-3.42	-79.32
C[N@@H+](CCO)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117498	1	50	0.0	-75.71	408.57	-3.41	-79.12
CC[N@H+](C)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117510	0	49	0.0	-74.99	398.43	-0.18	-75.17
CC[N@@H+](C)CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117510	1	49	0.0	-74.99	398.43	-0.18	-75.17
CC[N@H+](CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025117520	0	53	0.0	-73.49	421.38	0.79	-72.70
CC[N@@H+](CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025117520	1	53	0.0	-72.22	426.78	1.19	-71.03
CC1(C)C[NH+](CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025117532	1	53	0.0	-75.46	430.78	0.80	-74.66
C[NH+](C)CC=CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117539	0	50	0.0	-79.66	416.81	0.43	-79.23
CC[N@@H+]1CCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117556	1	50	0.0	-74.59	411.65	0.17	-74.42
CC[N@H+]1CCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117556	1	50	0.0	-74.29	410.86	0.18	-74.11
C=CCC(C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025117575	0	53	0.0	-73.74	425.90	0.74	-73.00
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CC3CC3C2)CCO1	REAL300025117582	0	51	0.0	-75.43	416.16	1.04	-74.39
C[NH+](C)C(C)(C)C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117587	0	52	0.0	-75.70	401.95	-0.38	-76.08
C[N@@H+]1CCCCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117597	0	53	0.0	-74.39	412.69	0.50	-73.89
C[N@H+]1CCCCC1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117597	1	53	0.0	-70.74	420.13	0.75	-69.99
C[NH+](C)C1(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025117629	0	50	0.0	-76.27	403.11	-0.35	-76.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CC[NH+]2CCCC2)CCO1	REAL300025117630	0	53	0.0	-76.73	429.03	0.94	-75.79
C[N@@H+]1CC2CC1(C(=O)N1CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025117640	0	51	0.0	-75.47	407.20	0.33	-75.14
C[N@H+]1CC2CC1(C(=O)N1CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025117640	1	51	0.0	-75.36	407.33	0.14	-75.22
CC(C[NH+](C)C)C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117674	0	52	0.0	-71.81	417.36	0.28	-71.53
CC(C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025117693	0	53	0.0	-72.93	429.72	0.67	-72.26
CC1CC[N@@H+]1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117694	1	50	0.0	-72.86	406.13	0.04	-72.82
CC1CC[N@H+]1CC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025117694	1	50	0.0	-72.89	406.43	-0.03	-72.92
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025117722	0	53	0.0	-75.85	429.58	0.98	-74.87
C[N@@H+]1CCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025117882	0	50	0.0	-66.77	406.12	0.28	-66.49
C[N@H+]1CCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025117882	1	50	0.0	-67.43	406.76	0.37	-67.06
C[N@@H+]1CCC(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025118049	0	53	0.0	-73.94	426.84	0.91	-73.03
C[N@H+]1CCC(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025118049	1	53	0.0	-73.01	426.58	0.94	-72.07
CCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300025118052	0	52	0.0	-68.00	411.44	0.20	-67.80
CCC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118064	0	52	0.0	-70.28	419.95	0.68	-69.60
CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118064	1	52	0.0	-70.27	419.95	0.68	-69.59
C[NH+](C)CC1(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC1	REAL300025118100	0	53	0.0	-73.36	429.79	1.08	-72.28
CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118105	0	52	0.0	-72.14	420.79	0.46	-71.68
CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118105	1	52	0.0	-72.11	420.79	0.46	-71.65
C[NH+]1CCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC1	REAL300025118127	0	53	0.0	-74.68	424.98	0.97	-73.71
C[NH+](C)C1(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CCC1	REAL300025118159	0	53	0.0	-73.12	413.22	0.81	-72.31
CC1CCC[N@@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118181	0	53	0.0	-67.16	426.43	0.98	-66.18
CC1CCC[N@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118181	1	53	0.0	-67.54	425.58	1.09	-66.45
CC1CC[N@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025118198	0	53	0.0	-69.48	426.48	1.06	-68.42
CC1CC[N@@H+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025118198	1	53	0.0	-69.52	426.42	1.05	-68.47
CC[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300025118200	0	52	0.0	-67.40	411.12	0.26	-67.14
CC1=[NH+]C=CN1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118235	1	48	0.0	-67.39	410.15	0.87	-66.52
CC1=C[NH+]=CN1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118253	1	48	0.0	-69.89	410.46	1.59	-68.30
C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC[N@@H+]1C	REAL300025118254	0	53	0.0	-72.40	417.92	0.54	-71.86
C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC[N@H+]1C	REAL300025118254	1	53	0.0	-70.82	422.88	0.72	-70.10
C[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CCC1	REAL300025118281	0	53	0.0	-68.18	426.94	1.24	-66.94
C[N@@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CCC1	REAL300025118281	1	53	0.0	-68.47	426.54	1.30	-67.17
C[NH+]1CCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC1	REAL300025118286	0	53	0.0	-74.68	424.98	0.97	-73.71
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118298	0	50	0.0	-69.45	400.72	-0.19	-69.64
C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118298	1	50	0.0	-67.09	406.59	0.31	-66.78
C[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118338	0	53	0.0	-66.78	422.66	0.84	-65.94
C[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118338	1	53	0.0	-66.84	422.36	0.91	-65.93
CC1C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC[N@@H+]1C	REAL300025118366	0	53	0.0	-72.32	417.95	0.52	-71.80
CC1C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC[N@H+]1C	REAL300025118366	1	53	0.0	-71.69	418.10	0.50	-71.19
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300025118403	0	49	0.0	-68.86	398.51	-0.29	-69.15
O=C(CC[NH+]1CCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118420	0	53	0.0	-72.11	428.30	0.93	-71.18
C[N@H+](CCO)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118425	1	50	0.0	-70.80	408.80	-3.31	-74.11
C[N@@H+](CCO)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118425	1	50	0.0	-70.59	408.56	-3.32	-73.91
CC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025118463	1	50	0.0	-70.81	410.78	0.41	-70.40
CC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118492	0	49	0.0	-69.96	398.45	-0.07	-70.03
CC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118492	1	49	0.0	-69.88	398.45	-0.07	-69.95
CC[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CC1	REAL300025118545	0	53	0.0	-66.68	429.32	1.29	-65.39
CC[N@@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CC1	REAL300025118545	1	53	0.0	-67.44	427.07	1.23	-66.21
C[N@@H+]1CC2CC1(C(=O)NCC1CN(C(=O)CSC3=NNC(=O)[N-]3)CCO1)C2	REAL300025118557	0	51	0.0	-71.87	411.17	0.52	-71.35
C[N@H+]1CC2CC1(C(=O)NCC1CN(C(=O)CSC3=NNC(=O)[N-]3)CCO1)C2	REAL300025118557	1	51	0.0	-71.72	411.53	0.37	-71.35
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118566	0	52	0.0	-66.53	418.92	0.61	-65.92
C[NH+](C)C1(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)CC1	REAL300025118572	0	50	0.0	-73.06	403.85	0.48	-72.58
C[C@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300025118581	0	49	0.0	-68.89	398.83	-0.33	-69.22
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118584	1	50	0.0	-68.05	405.18	0.05	-68.00
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118584	1	50	0.0	-69.34	412.06	0.35	-68.99
NC1=CC=[NH+]C=C1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118594	0	46	0.0	-71.40	389.16	-2.27	-73.67
C[NH+](C)C(C)(C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118600	0	52	0.0	-72.03	407.96	0.44	-71.59
O=C(C[NH+]1CC2CC2C1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118661	0	51	0.0	-70.24	415.75	1.20	-69.04
C[N@@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118667	0	53	0.0	-66.78	422.66	0.84	-65.94
C[N@H+]1CCCCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118667	1	53	0.0	-66.84	422.36	0.91	-65.93
C[N@@H+]1CCC(=CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025118688	0	51	0.0	-74.84	418.62	0.84	-74.00
C[N@H+]1CCC(=CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025118688	1	51	0.0	-74.77	419.55	0.80	-73.97
[N-]=[N+]=NCC(=O)NCC1CN(C(=O)CSC2=NC(=O)NN2)CCO1	REAL300025118695	0	40	0.0	-23.73	357.39	-5.08	-28.81
CCC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025118709	1	53	0.0	-71.25	433.02	1.09	-70.16
C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118714	0	50	0.0	-67.21	406.47	0.36	-66.85
C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118714	1	50	0.0	-69.41	400.45	-0.14	-69.55
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025118747	0	53	0.0	-72.14	430.44	0.97	-71.17
O=C(C[NH+]1CCCCC1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118785	0	53	0.0	-69.58	422.42	1.12	-68.46
C[N@@H+]1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025118786	0	53	0.0	-71.43	425.28	0.88	-70.55
C[N@H+]1CCCC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025118786	1	53	0.0	-64.77	419.00	1.08	-63.69
CN1C=C[N+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)=C1	REAL300025118787	0	48	0.0	-68.46	411.95	2.77	-65.69
C[N@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CC1	REAL300025118797	0	50	0.0	-67.42	409.97	0.65	-66.77
C[N@@H+](CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C1CC1	REAL300025118797	1	50	0.0	-67.85	410.10	0.66	-67.19
C[NH+]1CC(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025118846	0	50	0.0	-72.10	411.87	0.15	-71.95
C[NH+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118852	0	46	0.0	-70.75	380.72	-0.74	-71.49
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300025118860	0	49	0.0	-68.86	398.51	-0.29	-69.15
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+]1CC(C)C1	REAL300025118874	1	53	0.0	-67.68	429.15	0.97	-66.71
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118875	1	50	0.0	-68.19	406.49	0.07	-68.12
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118875	1	50	0.0	-68.12	406.81	0.20	-67.92
C[NH+](C)CC=CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118877	0	50	0.0	-75.10	416.68	0.47	-74.63
CC[NH+](CC)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118893	0	52	0.0	-68.50	412.31	0.34	-68.16
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+]1CCC1	REAL300025118937	1	50	0.0	-67.97	408.60	0.37	-67.60
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118958	0	53	0.0	-68.12	413.07	0.73	-67.39
C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025118958	1	53	0.0	-66.84	422.39	0.91	-65.93
C=CCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300025118977	0	53	0.0	-66.48	423.77	0.69	-65.79
NC(=[NH2+])SCC(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025118998	0	44	0.0	-77.54	388.63	-3.80	-81.34
CCC1C[NH+](CC(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025119047	1	53	0.0	-76.45	433.36	1.01	-75.44
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025119051	0	50	0.0	-71.86	402.47	0.07	-71.79
C[N@H+]1CCC[C@H]1C(=O)N1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025119051	1	50	0.0	-74.34	399.16	-0.24	-74.58
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[NH+]2CCCCC2)CCO1	REAL300025119057	0	53	0.0	-74.91	422.44	1.02	-73.89
CC1C(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025119061	0	53	0.0	-74.11	422.88	0.56	-73.55
CC1C(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025119061	1	53	0.0	-74.53	418.04	0.23	-74.30
C[NH+](C)CC(=O)N1CCC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025119130	0	54	0.0	-73.80	425.57	1.41	-72.39
[N-]=[N+]=NCC(=O)N1CCC(N2CCN(C(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025119135	0	48	0.0	-24.60	402.50	-3.01	-27.61
[N-]=[N+]=NCC(=O)N1CCN(C2CCN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025119194	0	48	0.0	-23.85	402.50	-3.06	-26.91
C[NH+](C)CC(=O)N1CCN(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025119201	0	54	0.0	-76.15	425.52	1.35	-74.80
C[N@@H+]1CCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119369	0	52	0.0	-66.76	402.48	2.47	-64.29
C[N@H+]1CCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119369	1	52	0.0	-69.27	402.49	2.47	-66.80
C[N@@H+]1CCOC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025119393	1	53	0.0	-79.29	419.89	2.37	-76.92
C[N@H+]1CCOC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025119393	1	53	0.0	-81.07	411.11	2.16	-78.91
CC1=[NH+]C=CN1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119532	1	50	0.0	-69.96	410.22	3.50	-66.46
C[C@@H]1[C@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025119550	0	55	0.0	-69.37	419.59	3.12	-66.25
C[C@@H]1[C@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025119550	1	55	0.0	-69.95	425.36	3.17	-66.78
C[NH+](C)C1(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300025119570	0	55	0.0	-65.54	416.45	3.40	-62.14
CC(C)[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025119572	0	57	0.0	-65.77	429.46	3.59	-62.18
C[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025119581	0	55	0.0	-70.53	426.87	3.87	-66.66
C[N@@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025119581	1	55	0.0	-67.43	428.75	3.93	-63.50
C[NH+]1CCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025119605	0	55	0.0	-80.11	425.36	3.54	-76.57
C[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119611	0	55	0.0	-66.93	423.99	3.50	-63.43
C[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119611	1	55	0.0	-66.79	424.44	3.53	-63.26
CC1=C[NH+]=CN1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119628	1	50	0.0	-71.63	409.48	4.19	-67.44
C[N@@H+]1CCC(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025119638	0	55	0.0	-75.73	427.61	3.45	-72.28
C[N@H+]1CCC(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025119638	1	55	0.0	-76.42	427.14	3.48	-72.94
CCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025119641	0	54	0.0	-68.88	411.59	2.87	-66.01
C[NH+](C)CCCCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119655	0	57	0.0	-72.39	447.87	4.07	-68.32
CC(C)C(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025119658	0	57	0.0	-71.21	425.89	3.43	-67.78
CCC[N@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119659	0	57	0.0	-75.84	442.37	3.83	-72.01
CCC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119659	1	57	0.0	-71.35	444.11	3.87	-67.48
CCC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119660	0	54	0.0	-72.75	420.00	3.29	-69.46
CCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119660	1	54	0.0	-69.14	421.74	3.36	-65.78
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119675	0	52	0.0	-69.27	402.53	2.48	-66.79
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119675	1	52	0.0	-70.09	405.87	2.95	-67.14
CC[NH+](CC)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119687	0	54	0.0	-67.04	418.62	3.29	-63.75
C[NH+](C)CC1(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025119741	0	55	0.0	-71.09	433.58	3.60	-67.49
C[NH+]1CCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025119763	0	55	0.0	-80.11	425.36	3.54	-76.57
CC(C)[C@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025119778	0	57	0.0	-67.49	426.17	3.48	-64.01
CC[N@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119805	0	54	0.0	-70.57	422.61	3.13	-67.44
CC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119805	1	54	0.0	-70.62	422.61	3.13	-67.49
CC1CCC[N@@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119815	0	55	0.0	-65.78	421.21	3.33	-62.45
CC1CCC[N@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119815	1	55	0.0	-69.32	419.45	3.24	-66.08
CC1CC[N@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025119816	0	55	0.0	-72.13	426.90	3.62	-68.51
CC1CC[N@@H+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025119816	1	55	0.0	-72.28	425.99	3.63	-68.65
CC[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025119818	0	54	0.0	-70.08	415.02	3.47	-66.61
C[NH+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119854	0	48	0.0	-69.59	382.51	1.94	-67.65
CN1C=C[N+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300025119855	0	50	0.0	-71.23	412.01	5.40	-65.83
C[N@@H+]1CCCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025119858	0	55	0.0	-70.38	427.08	3.55	-66.83
C[N@H+]1CCCC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025119858	1	55	0.0	-69.90	427.12	3.55	-66.35
CC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025119865	1	52	0.0	-72.43	411.10	2.83	-69.60
C[NH+](C)CC(C)(C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119868	0	57	0.0	-68.34	429.23	3.70	-64.64
C[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025119875	0	52	0.0	-69.81	410.04	3.29	-66.52
C[N@@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025119875	1	52	0.0	-70.16	410.18	3.29	-66.87
C[NH+]1CC(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025119886	0	52	0.0	-73.73	412.22	2.70	-71.03
C[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025119898	0	51	0.0	-68.47	399.78	2.31	-66.16
[N-]=[N+]=NCC(=O)NC1CCCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025119905	0	42	0.0	-23.23	359.47	-2.47	-25.70
C[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025119936	0	51	0.0	-68.47	399.78	2.31	-66.16
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119939	0	55	0.0	-69.57	413.42	3.31	-66.26
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119939	1	55	0.0	-64.95	424.47	3.53	-61.42
O=C(C[NH+]1CCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025119966	1	49	0.0	-73.36	390.88	2.30	-71.06
C[N@@H+]1CCC(=CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025119975	0	53	0.0	-73.58	420.43	3.52	-70.06
C[N@H+]1CCC(=CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025119975	1	53	0.0	-73.63	420.88	3.45	-70.18
C[C@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025119993	0	51	0.0	-72.16	398.92	2.29	-69.87
CC1C[NH+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025120009	1	52	0.0	-73.07	412.04	2.98	-70.09
C[N@H+](CCO)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120022	1	52	0.0	-73.18	408.85	-0.68	-73.86
C[N@@H+](CCO)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120022	1	52	0.0	-73.72	408.64	-0.70	-74.42
CC(CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025120034	0	57	0.0	-76.14	437.96	3.89	-72.25
CC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120036	0	51	0.0	-72.47	398.51	2.56	-69.91
CC[N@@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120036	1	51	0.0	-72.41	398.51	2.56	-69.85
CC[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025120046	0	55	0.0	-69.30	424.30	3.76	-65.54
CC[N@@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025120046	1	55	0.0	-68.89	425.57	3.65	-65.24
CC[NH+](CC)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120052	0	57	0.0	-74.25	438.73	3.81	-70.44
CC1(C)C[NH+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025120060	1	55	0.0	-73.14	431.35	3.51	-69.63
C[NH+](C)CC=CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120067	0	52	0.0	-78.37	418.00	3.14	-75.23
CC(CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025120084	0	57	0.0	-79.57	434.27	3.61	-75.96
CC[N@@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120088	1	52	0.0	-72.31	404.66	2.75	-69.56
CC[N@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120088	1	52	0.0	-66.47	406.59	2.56	-63.91
C=CCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025120109	0	55	0.0	-69.64	423.98	3.46	-66.18
O=C(C[NH+]1CC2CC2C1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120117	0	53	0.0	-73.08	415.33	3.73	-69.35
CCCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025120122	0	57	0.0	-69.52	433.08	3.64	-65.88
C[NH+](C)C(C)(C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120124	0	54	0.0	-79.86	408.10	3.04	-76.82
C[N@@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120134	0	55	0.0	-66.93	423.99	3.50	-63.43
C[N@H+]1CCCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120134	1	55	0.0	-66.79	424.44	3.53	-63.26
C[NH+](C)C1(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025120170	0	52	0.0	-69.33	405.08	3.64	-65.69
O=C(CC[NH+]1CCCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120171	0	55	0.0	-75.36	427.51	3.50	-71.86
C[N@@H+]1CC2CC1(C(=O)NC1CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025120181	0	53	0.0	-79.31	413.21	3.03	-76.28
C[N@H+]1CC2CC1(C(=O)NC1CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025120181	1	53	0.0	-78.73	413.22	2.97	-75.76
CC(C[NH+](C)C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120216	0	54	0.0	-74.80	419.19	3.16	-71.64
CC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300025120236	1	55	0.0	-70.10	428.30	3.60	-66.50
CC1CC[N@@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120237	1	52	0.0	-72.16	412.10	2.97	-69.19
CC1CC[N@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120237	1	52	0.0	-70.63	406.58	2.71	-67.92
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025120268	0	55	0.0	-69.01	432.10	3.66	-65.35
CC(CC[NH+](C)C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120269	0	57	0.0	-74.96	440.81	3.77	-71.19
C[N@@H+]1CCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120438	0	52	0.0	-58.45	407.65	2.73	-55.72
C[N@H+]1CCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120438	1	52	0.0	-71.90	405.32	2.68	-69.22
C[N@@H+]1CCOC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025120464	1	53	0.0	-78.12	406.30	1.88	-76.24
C[N@H+]1CCOC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025120464	1	53	0.0	-78.35	405.60	1.84	-76.51
C[N@@H+]1CCC(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025120614	0	55	0.0	-78.36	428.82	3.49	-74.87
C[N@H+]1CCC(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025120614	1	55	0.0	-78.99	427.23	3.44	-75.55
CCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025120617	0	54	0.0	-71.05	408.35	2.65	-68.40
C[NH+](C)CCCCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120627	0	57	0.0	-77.62	447.88	4.03	-73.59
CC(C)C(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025120630	0	57	0.0	-71.46	420.52	2.92	-68.54
CCC[N@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120631	0	57	0.0	-78.29	444.17	3.86	-74.43
CCC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120631	1	57	0.0	-76.97	442.37	3.81	-73.16
CCC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120632	0	54	0.0	-72.67	420.01	3.20	-69.47
CCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120632	1	54	0.0	-75.48	421.79	3.27	-72.21
C[NH+](C)CC1(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025120671	0	55	0.0	-68.38	422.84	3.19	-65.19
CC[N@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120677	0	54	0.0	-77.40	422.67	3.13	-74.27
CC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120677	1	54	0.0	-77.47	422.62	3.09	-74.38
C[NH+]1CCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025120699	0	55	0.0	-80.60	422.40	3.25	-77.35
CC(C)[C@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025120714	0	57	0.0	-71.10	427.22	3.62	-67.48
C[NH+](C)C1(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300025120736	0	55	0.0	-77.45	413.53	2.81	-74.64
CC1CCC[N@@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120760	0	55	0.0	-71.82	421.21	3.23	-68.59
CC1CCC[N@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120760	1	55	0.0	-69.07	419.42	3.16	-65.91
CC(C)[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025120771	0	57	0.0	-70.38	424.51	3.48	-66.90
CC1CC[N@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025120779	0	55	0.0	-72.11	426.84	3.49	-68.62
CC1CC[N@@H+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025120779	1	55	0.0	-71.55	426.16	3.45	-68.10
CC[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025120781	0	54	0.0	-68.06	408.45	2.72	-65.34
CC1=[NH+]C=CN1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120818	1	50	0.0	-71.49	411.98	3.45	-68.04
CC1=C[NH+]=CN1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120836	1	50	0.0	-70.96	410.52	4.13	-66.83
C[C@@H]1[C@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025120837	0	55	0.0	-75.01	411.52	2.65	-72.36
C[C@@H]1[C@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025120837	1	55	0.0	-76.14	415.70	2.83	-73.31
C[N@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025120867	0	55	0.0	-73.03	428.73	3.82	-69.21
C[N@@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025120867	1	55	0.0	-73.39	428.68	3.82	-69.57
C[NH+]1CCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025120873	0	55	0.0	-80.60	422.40	3.25	-77.35
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120886	0	52	0.0	-69.24	400.62	2.33	-66.91
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120886	1	52	0.0	-72.42	406.42	2.70	-69.72
C[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120929	0	55	0.0	-68.08	420.87	3.35	-64.73
C[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025120929	1	55	0.0	-71.00	420.03	3.30	-67.70
CC1C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025120958	0	55	0.0	-73.00	418.06	2.99	-70.01
CC1C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025120958	1	55	0.0	-76.50	420.47	3.21	-73.29
C[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025120999	0	51	0.0	-59.54	398.47	2.19	-57.35
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300025121017	0	55	0.0	-77.48	430.16	3.58	-73.90
C[N@H+](CCO)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121022	1	52	0.0	-74.21	408.86	-0.78	-74.99
C[N@@H+](CCO)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121022	1	52	0.0	-75.90	410.42	-0.73	-76.63
CC1C[NH+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025121065	1	52	0.0	-73.92	411.05	2.97	-70.95
CC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121097	0	51	0.0	-75.19	400.30	2.53	-72.66
CC[N@@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121097	1	51	0.0	-72.45	398.48	2.47	-69.98
CC(CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025121150	0	57	0.0	-80.49	436.15	3.61	-76.88
CC[N@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025121155	0	55	0.0	-71.67	431.19	3.86	-67.81
CC[N@@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025121155	1	55	0.0	-73.94	423.97	3.75	-70.19
C[N@@H+]1CC2CC1(C(=O)N1CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025121168	0	53	0.0	-76.82	408.88	3.02	-73.80
C[N@H+]1CC2CC1(C(=O)N1CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025121168	1	53	0.0	-76.01	399.42	2.87	-73.14
CC(C[NH+](C)C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121177	0	54	0.0	-70.23	415.97	2.93	-67.30
C[NH+](C)C1(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025121183	0	52	0.0	-77.23	401.05	2.23	-75.00
C[C@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025121193	0	51	0.0	-62.50	398.59	2.16	-60.34
CC[N@@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121196	1	52	0.0	-73.20	403.14	2.37	-70.83
CC[N@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121196	1	52	0.0	-73.00	410.84	2.72	-70.28
NC1=CC=[NH+]C=C1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121207	0	48	0.0	-75.77	394.25	-0.22	-75.99
CCCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025121211	0	57	0.0	-74.21	433.70	3.64	-70.57
C[NH+](C)C(C)(C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121214	0	54	0.0	-76.41	400.43	2.28	-74.13
CC(CC[NH+](C)C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121223	0	57	0.0	-76.39	437.89	3.44	-72.95
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300025121282	0	53	0.0	-75.53	417.85	3.70	-71.83
C[N@@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121290	0	55	0.0	-68.08	420.87	3.35	-64.73
C[N@H+]1CCCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121290	1	55	0.0	-71.00	420.03	3.30	-67.70
C[N@@H+]1CCC(=CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025121315	0	53	0.0	-72.02	419.71	3.43	-68.59
C[N@H+]1CCC(=CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025121315	1	53	0.0	-72.04	419.71	3.45	-68.59
[N-]=[N+]=NCC(=O)N1CCCC(NC(=O)CSC2=NC(=O)NN2)CC1	REAL300025121322	0	42	0.0	-24.51	359.48	-2.57	-27.08
CCC1C[NH+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025121338	0	55	0.0	-74.09	433.17	3.59	-70.50
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121343	0	52	0.0	-72.02	403.70	2.65	-69.37
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121343	1	52	0.0	-74.95	401.81	2.37	-72.58
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025121383	0	55	0.0	-77.46	429.26	3.47	-73.99
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300025121424	0	55	0.0	-75.03	424.25	3.70	-71.33
C[N@@H+]1CCCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025121425	0	55	0.0	-76.20	421.88	3.17	-73.03
C[N@H+]1CCCC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025121425	1	55	0.0	-62.58	425.77	3.32	-59.26
CN1C=C[N+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300025121426	0	50	0.0	-72.54	413.80	5.35	-67.19
C[N@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025121436	0	52	0.0	-72.12	411.81	3.24	-68.88
C[N@@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025121436	1	52	0.0	-72.85	411.95	3.25	-69.60
CC(CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025121444	0	57	0.0	-77.05	439.70	3.88	-73.17
C[NH+]1CC(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025121493	0	52	0.0	-76.23	413.95	2.71	-73.52
C[NH+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121500	0	48	0.0	-75.83	382.52	1.84	-73.99
C[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025121508	0	51	0.0	-59.54	398.47	2.19	-57.35
CC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300025121522	0	55	0.0	-58.96	430.80	3.34	-55.62
CC1CC[N@@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121523	1	52	0.0	-72.42	412.15	2.89	-69.53
CC1CC[N@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121523	1	52	0.0	-74.27	413.87	2.91	-71.36
C[NH+](C)CC=CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121525	0	52	0.0	-71.81	417.63	3.08	-68.73
CC1(C)C[NH+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025121529	1	55	0.0	-73.47	431.38	3.41	-70.06
CC[NH+](CC)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121542	0	54	0.0	-73.61	414.10	2.90	-70.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[NH+]2CCC2)CC1	REAL300025121547	1	49	0.0	-73.31	390.87	2.22	-71.09
CC[NH+](CC)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121565	0	57	0.0	-76.82	436.11	3.52	-73.30
CC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025121593	1	52	0.0	-61.99	410.19	2.73	-59.26
C[NH+](C)CC(C)(C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121597	0	57	0.0	-75.78	422.52	2.94	-72.84
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121617	0	55	0.0	-69.84	411.48	2.83	-67.01
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121617	1	55	0.0	-70.93	422.06	3.40	-67.53
C=CCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025121636	0	55	0.0	-74.08	428.31	3.47	-70.61
NC(=[NH2+])SCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121659	0	46	0.0	-70.68	390.43	-1.12	-71.80
CCC1C[NH+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025121714	1	55	0.0	-74.00	433.43	3.74	-70.26
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121718	0	52	0.0	-66.14	408.33	2.96	-63.18
C[N@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121718	1	52	0.0	-73.90	400.29	2.43	-71.47
O=C(C[NH+]1CCCCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025121725	0	55	0.0	-72.63	422.51	3.76	-68.87
CC1C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025121729	0	55	0.0	-69.34	428.33	3.52	-65.82
CC1C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025121729	1	55	0.0	-69.30	423.71	3.15	-66.15
CN(CCCN(C)C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025121936	0	51	0.0	-70.79	413.58	3.57	-67.22
CN(CCCN(C)C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025121936	1	51	0.0	-65.60	413.03	3.56	-62.04
CN(CCCN(C)C(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025121960	1	52	0.0	-68.44	414.35	2.83	-65.61
CN(CCCN(C)C(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025121960	1	52	0.0	-88.66	420.33	2.97	-85.69
CC(C)[N@@H+]1CCCC1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122103	0	57	0.0	-66.93	442.68	4.57	-62.36
CC(C)[N@H+]1CCCC1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122103	1	57	0.0	-66.28	439.24	5.13	-61.15
CC1=[NH+]C=CN1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122125	1	49	0.0	-66.09	417.57	4.31	-61.78
CN(CCCN(C)C(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122143	0	55	0.0	-78.59	425.30	4.23	-74.36
C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025122169	0	54	0.0	-73.38	424.31	3.70	-69.68
C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025122169	1	54	0.0	-72.90	429.62	4.24	-68.66
CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025122171	0	57	0.0	-70.64	445.49	4.30	-66.34
CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025122171	1	57	0.0	-69.93	446.81	4.56	-65.37
CC1CCC(C)[NH+]1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122218	0	57	0.0	-64.52	444.87	4.58	-59.94
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCC1	REAL300025122220	0	57	0.0	-70.92	457.97	5.28	-65.64
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCC1	REAL300025122222	0	57	0.0	-70.45	451.69	5.14	-65.31
CC[N@@H+]1CCCCC1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122225	0	57	0.0	-63.60	445.70	4.87	-58.73
CC[N@H+]1CCCCC1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122225	1	57	0.0	-68.39	445.93	4.88	-63.51
CN(CCCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122234	0	54	0.0	-70.38	419.97	3.93	-66.45
CC(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025122240	0	56	0.0	-66.57	430.45	4.38	-62.19
CN(CCCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122258	0	54	0.0	-69.50	434.53	4.69	-64.81
CN(CCCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122258	1	54	0.0	-66.98	434.36	4.68	-62.30
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122308	1	53	0.0	-64.88	433.59	4.47	-60.41
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122308	1	53	0.0	-67.31	439.91	4.85	-62.46
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL300025122313	0	57	0.0	-69.61	450.08	4.76	-64.85
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL300025122313	1	57	0.0	-72.74	455.80	5.25	-67.49
CN(CCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122329	0	54	0.0	-74.68	429.41	4.18	-70.50
CN(CCCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122352	0	54	0.0	-69.64	428.53	4.30	-65.34
CN(CCCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122352	1	54	0.0	-67.13	427.64	4.24	-62.89
CC1=C[NH+]=CN1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122410	1	49	0.0	-67.94	416.86	5.01	-62.93
CN(CCCN(C)C(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122426	0	55	0.0	-64.35	425.74	4.07	-60.28
CN(CCCN(C)C(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122431	0	54	0.0	-75.94	434.85	4.35	-71.59
CN(CCCN(C)C(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122431	1	54	0.0	-72.27	434.68	4.35	-67.92
CCC(C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025122437	0	53	0.0	-66.95	419.01	3.83	-63.12
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300025122478	0	56	0.0	-77.38	453.77	4.89	-72.49
CC(C)C(C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025122488	0	56	0.0	-65.54	428.82	4.11	-61.43
CCC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122489	0	56	0.0	-71.71	449.73	4.71	-67.00
CCC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122489	1	56	0.0	-71.88	449.73	4.70	-67.18
CCC[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122492	0	53	0.0	-71.12	427.09	4.09	-67.03
CCC[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122492	1	53	0.0	-68.78	427.37	4.11	-64.67
CN(CCCN(C)C(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122501	0	55	0.0	-84.58	420.53	3.52	-81.06
CN(CCCN(C)C(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122501	1	55	0.0	-74.79	420.56	3.58	-71.21
CN(CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122522	0	51	0.0	-68.70	411.09	3.59	-65.11
CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122522	1	51	0.0	-68.00	406.96	3.25	-64.75
CC[NH+](CC)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122549	0	53	0.0	-69.41	424.23	4.07	-65.34
CC1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025122602	0	57	0.0	-69.04	451.20	5.20	-63.84
CN(CCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122620	0	54	0.0	-77.44	435.84	4.31	-73.13
CN(CCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122666	0	54	0.0	-74.68	429.41	4.18	-70.50
CC(C)[C@H](C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025122681	0	56	0.0	-69.87	432.35	4.48	-65.39
CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122737	0	53	0.0	-71.02	428.24	3.98	-67.04
CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122737	1	53	0.0	-71.15	428.23	3.95	-67.20
CC1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122759	0	54	0.0	-68.17	434.44	4.39	-63.78
CC1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122759	1	54	0.0	-65.71	426.84	4.08	-61.63
CC1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025122760	0	54	0.0	-70.71	433.68	4.48	-66.23
CC1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025122760	1	54	0.0	-70.32	434.44	4.44	-65.88
CN(CCCN(C)C(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122761	0	57	0.0	-70.81	453.97	4.97	-65.84
CN(CCCN(C)C(=O)C[N@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122761	1	57	0.0	-67.71	453.11	4.95	-62.76
CC[C@@H](C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025122768	0	53	0.0	-65.52	415.88	3.60	-61.92
CN(CCCN(C)C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122838	0	47	0.0	-71.57	388.41	2.72	-68.85
CN(CCCN(C)C(=O)C[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122841	0	57	0.0	-68.56	439.22	4.75	-63.81
CN(CCCN(C)C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122843	0	49	0.0	-67.06	419.37	6.21	-60.85
CN(CCCN(C)C(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122846	0	54	0.0	-64.25	421.58	4.25	-60.00
CN(CCCN(C)C(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122846	1	54	0.0	-64.85	421.61	4.25	-60.60
CN(CCCN(C)C(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122851	0	55	0.0	-67.46	441.25	5.00	-62.46
CN(CCCN(C)C(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122851	1	55	0.0	-71.17	437.63	4.55	-66.62
CC(C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025122861	0	51	0.0	-66.65	413.81	3.59	-63.06
CN(CCCN(C)C(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122869	0	56	0.0	-69.86	425.89	3.92	-65.94
CN(CCCN(C)C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122880	0	51	0.0	-65.87	417.41	4.11	-61.76
CN(CCCN(C)C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122880	1	51	0.0	-66.12	417.40	4.12	-62.00
CN(CCCN(C)C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122894	0	51	0.0	-74.59	419.85	3.57	-71.02
CN(CCCN(C)C(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122904	0	57	0.0	-69.64	430.12	3.68	-65.96
CN(CCCN(C)C(=O)C1CC[N@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122904	1	57	0.0	-65.80	448.11	4.32	-61.48
C[C@@H](C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025122913	0	50	0.0	-66.91	403.70	3.08	-63.83
CN(CCCN(C)C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300025122920	0	41	0.0	-27.32	365.35	-1.68	-29.00
CN(CCCN(C)C(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300025122961	0	47	0.0	-65.60	415.21	2.88	-62.72
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300025122966	0	54	0.0	-71.34	438.59	0.74	-70.60
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300025122966	1	54	0.0	-70.39	438.54	0.74	-69.65
C[C@@H](C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025122967	0	50	0.0	-66.91	403.70	3.08	-63.83
CN(CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122970	0	54	0.0	-66.80	428.53	4.29	-62.51
CN(CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122970	1	54	0.0	-68.32	416.57	3.80	-64.52
CN(CCCN(C)C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123014	1	48	0.0	-69.26	398.23	3.12	-66.14
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300025123026	0	52	0.0	-74.21	426.17	4.26	-69.95
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300025123026	1	52	0.0	-74.26	425.21	4.28	-69.98
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300025123044	0	54	0.0	-72.47	444.28	3.84	-68.63
C=CCC(C)(C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025123055	0	57	0.0	-62.69	432.29	4.21	-58.48
CC1CN(CC(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025123086	0	51	0.0	-68.92	419.41	3.79	-65.13
CC1C[NH+](CC(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025123086	1	51	0.0	-68.92	419.41	3.79	-65.13
CN(CCO)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123102	0	51	0.0	-69.16	416.22	0.14	-69.02
CN(CCCN(C)C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123102	1	51	0.0	-71.60	415.72	0.11	-71.49
CN(CCCN(C)C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123102	1	51	0.0	-71.60	415.72	0.11	-71.49
CC[N@@H+]1CCCC(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025123119	0	57	0.0	-63.73	440.27	4.98	-58.75
CC[N@H+]1CCCC(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025123119	1	57	0.0	-63.73	440.27	4.98	-58.75
CC(CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025123121	0	56	0.0	-74.97	445.59	4.77	-70.20
CC[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123124	0	50	0.0	-70.97	405.59	3.36	-67.61
CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025123147	0	54	0.0	-66.05	434.64	4.72	-61.33
CC[NH+](CC)CCC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123155	0	56	0.0	-73.77	442.01	4.40	-69.37
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[NH+](C)CC1	REAL300025123162	0	55	0.0	-72.64	441.24	5.01	-67.63
CN(CCCN(C)C(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123168	1	54	0.0	-68.82	438.55	4.27	-64.55
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300025123183	0	51	0.0	-73.98	424.54	3.98	-70.00
COCC[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123196	1	54	0.0	-71.11	437.97	2.51	-68.60
COCC[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123196	1	54	0.0	-69.26	438.48	2.54	-66.72
CN(CCCN(C)C(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123212	0	57	0.0	-68.77	429.16	4.33	-64.44
CC(CCC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025123214	0	56	0.0	-72.91	445.76	4.51	-68.40
CC[N@@H+]1CCC1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123220	0	51	0.0	-72.01	419.05	3.63	-68.38
CC[N@H+]1CCC1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123220	1	51	0.0	-68.07	418.28	3.58	-64.49
CN(CCCN(C)C(=O)C1(C)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123244	0	57	0.0	-70.68	436.42	4.28	-66.40
C=CCC(C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025123260	0	54	0.0	-64.62	429.32	4.09	-60.53
CN(CCCN(C)C(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123267	0	57	0.0	-70.64	447.14	4.53	-66.11
CN(CCCN(C)C(=O)C1CC(C)(C)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123267	1	57	0.0	-68.00	446.76	4.41	-63.59
CN(CCCN(C)C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123272	0	52	0.0	-68.50	423.49	4.57	-63.93
CCCC(C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025123284	0	56	0.0	-66.17	437.37	4.38	-61.79
CN(CCCN(C)C(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123287	0	53	0.0	-75.81	408.61	3.44	-72.37
CN(CCCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123307	0	54	0.0	-69.64	428.53	4.30	-65.34
CN(CCCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123307	1	54	0.0	-67.13	427.64	4.24	-62.89
CN(CCCN(C)C(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123326	0	55	0.0	-71.40	447.55	5.09	-66.31
CN(CCCN(C)C(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123326	1	55	0.0	-68.94	447.53	5.09	-63.85
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300025123355	0	55	0.0	-72.58	447.87	5.01	-67.57
CN(CCCN(C)C(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123379	0	51	0.0	-77.69	409.54	3.40	-74.29
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300025123380	0	54	0.0	-70.43	436.47	4.46	-65.97
CN(CCCN(C)C(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123400	0	54	0.0	-76.14	420.81	0.81	-75.33
CN(CCCN(C)C(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123404	0	52	0.0	-73.72	415.45	3.69	-70.03
CN(CCCN(C)C(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123404	1	52	0.0	-69.93	415.25	3.69	-66.24
CN(CCCN(C)C(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123409	0	55	0.0	-66.93	434.60	4.80	-62.13
CN(CCCN(C)C(=O)C[N@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123409	1	55	0.0	-69.74	434.82	4.82	-64.92
CN(CCCN(C)C(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123443	1	53	0.0	-65.89	426.96	4.57	-61.32
CN(CCCN(C)C(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123443	1	53	0.0	-66.77	427.62	4.69	-62.08
CC(C[NH+](C)C)C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123470	0	53	0.0	-71.29	421.63	3.72	-67.57
CN(CCCN(C)C(=O)CC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123506	0	57	0.0	-62.14	440.17	4.82	-57.32
CN(CCCN(C)C(=O)CC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123506	1	57	0.0	-71.92	447.12	4.93	-66.99
CC(C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025123515	0	54	0.0	-66.84	429.77	4.01	-62.83
CC1CC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123517	0	51	0.0	-66.95	413.93	3.52	-63.43
CC1CC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123517	1	51	0.0	-69.43	414.19	3.52	-65.91
CN(CCCN(C)C(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123519	0	54	0.0	-78.83	441.00	1.78	-77.05
CN(CCCN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123571	0	54	0.0	-72.81	436.94	4.44	-68.37
CC(CC[NH+](C)C)C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123575	0	56	0.0	-71.97	443.26	4.35	-67.62
CN(CCCN(C)C(=O)CN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123590	1	56	0.0	-70.48	447.27	2.21	-68.27
CN(CCCN(C)C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123759	0	51	0.0	-70.79	413.58	3.57	-67.22
CN(CCCN(C)C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123759	1	51	0.0	-65.60	413.03	3.56	-62.04
CN(CCCN(C)C(=O)C1C[N@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123785	1	52	0.0	-68.44	414.35	2.83	-65.61
CN(CCCN(C)C(=O)C1C[N@@H+](C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123785	1	52	0.0	-88.66	420.33	2.97	-85.69
CN(CCCN(C)C(=O)C12CCC[NH+]1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123941	0	55	0.0	-64.35	425.74	4.07	-60.28
CN(CCCN(C)C(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123962	0	54	0.0	-75.94	434.85	4.35	-71.59
CN(CCCN(C)C(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123962	1	54	0.0	-72.27	434.68	4.35	-67.92
CCC(C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025123968	0	53	0.0	-66.95	419.01	3.83	-63.12
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300025123997	0	56	0.0	-77.38	453.77	4.89	-72.49
CC(C)C(C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025124009	0	56	0.0	-65.54	428.82	4.11	-61.43
CCC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124010	0	56	0.0	-71.71	449.73	4.71	-67.00
CCC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124010	1	56	0.0	-71.88	449.73	4.70	-67.18
CCC[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124013	0	53	0.0	-71.12	427.09	4.09	-67.03
CCC[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124013	1	53	0.0	-68.78	427.37	4.11	-64.67
CN(CCCN(C)C(=O)C12CC[N@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124022	0	55	0.0	-84.58	420.53	3.52	-81.06
CN(CCCN(C)C(=O)C12CC[N@@H+](C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124022	1	55	0.0	-74.79	420.56	3.58	-71.21
CC1CC[NH+](CC(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025124046	0	57	0.0	-69.04	451.20	5.20	-63.84
CN(CCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124083	0	54	0.0	-77.44	435.84	4.31	-73.13
CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124100	0	53	0.0	-71.02	428.24	3.98	-67.04
CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124100	1	53	0.0	-71.15	428.23	3.95	-67.20
CN(CCCN(C)C(=O)C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124111	0	55	0.0	-78.59	425.30	4.23	-74.36
CN(CCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124148	0	54	0.0	-74.68	429.41	4.18	-70.50
CC(C)[C@H](C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025124163	0	56	0.0	-69.87	432.35	4.48	-65.39
CN(CCCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124223	0	54	0.0	-70.38	419.97	3.93	-66.45
CC1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124257	0	54	0.0	-68.17	434.44	4.39	-63.78
CC1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124257	1	54	0.0	-65.71	426.84	4.08	-61.63
CC(C)[N@@H+]1CCCC1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124283	0	57	0.0	-66.93	442.68	4.57	-62.36
CC(C)[N@H+]1CCCC1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124283	1	57	0.0	-66.28	439.24	5.13	-61.15
CC(C)[C@@H](C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025124290	0	56	0.0	-66.57	430.45	4.38	-62.19
CC1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025124300	0	54	0.0	-70.71	433.68	4.48	-66.23
CC1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025124300	1	54	0.0	-70.32	434.44	4.44	-65.88
CN(CCCN(C)C(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124301	0	57	0.0	-70.81	453.97	4.97	-65.84
CN(CCCN(C)C(=O)C[N@H+]1CCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124301	1	57	0.0	-67.71	453.11	4.95	-62.76
CC[C@@H](C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025124308	0	53	0.0	-65.52	415.88	3.60	-61.92
CC1=[NH+]C=CN1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124386	1	49	0.0	-66.09	417.57	4.31	-61.78
CC1=C[NH+]=CN1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124444	1	49	0.0	-67.94	416.86	5.01	-62.93
C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025124448	0	54	0.0	-73.38	424.31	3.70	-69.68
C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025124448	1	54	0.0	-72.90	429.62	4.24	-68.66
CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025124450	0	57	0.0	-70.64	445.49	4.30	-66.34
CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025124450	1	57	0.0	-69.93	446.81	4.56	-65.37
CC1CCC(C)[NH+]1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124455	0	57	0.0	-64.52	444.87	4.58	-59.94
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC[NH+]1CCCC1	REAL300025124457	0	57	0.0	-70.92	457.97	5.28	-65.64
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCC1	REAL300025124460	0	57	0.0	-70.45	451.69	5.14	-65.31
CC[N@@H+]1CCCCC1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124463	0	57	0.0	-63.60	445.70	4.87	-58.73
CC[N@H+]1CCCCC1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124463	1	57	0.0	-68.39	445.93	4.88	-63.51
CN(CCCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124540	0	54	0.0	-69.50	434.53	4.69	-64.81
CN(CCCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124540	1	54	0.0	-66.98	434.36	4.68	-62.30
CN(CCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124560	0	54	0.0	-74.68	429.41	4.18	-70.50
CN(CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124582	0	51	0.0	-68.70	411.09	3.59	-65.11
CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124582	1	51	0.0	-68.00	406.96	3.25	-64.75
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124599	1	53	0.0	-64.88	433.59	4.47	-60.41
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124599	1	53	0.0	-67.31	439.91	4.85	-62.46
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL300025124604	0	57	0.0	-69.61	450.08	4.76	-64.85
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL300025124604	1	57	0.0	-72.74	455.80	5.25	-67.49
CN(CCCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124663	0	54	0.0	-69.64	428.53	4.30	-65.34
CN(CCCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124663	1	54	0.0	-67.13	427.64	4.24	-62.89
CC1C(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025124708	0	54	0.0	-72.02	430.10	3.97	-68.05
CC1C(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025124708	1	54	0.0	-69.98	424.80	3.98	-66.00
CN(CCCN(C)C(=O)C1CC[N@@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124755	0	57	0.0	-69.64	430.12	3.68	-65.96
CN(CCCN(C)C(=O)C1CC[N@H+]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124755	1	57	0.0	-65.80	448.11	4.32	-61.48
C[C@@H](C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025124767	0	50	0.0	-66.91	403.70	3.08	-63.83
C=CCC(C)(C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025124779	0	57	0.0	-62.69	432.29	4.21	-58.48
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300025124791	0	54	0.0	-70.43	436.47	4.46	-65.97
CN(CCCN(C)C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124797	1	51	0.0	-69.16	416.22	0.14	-69.02
CN(CCCN(C)C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124797	1	51	0.0	-71.60	415.72	0.11	-71.49
CN(CCCN(C)C(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124842	0	55	0.0	-71.40	447.55	5.09	-66.31
CN(CCCN(C)C(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124842	1	55	0.0	-68.94	447.53	5.09	-63.85
CC1C[NH+](CC(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025124882	1	51	0.0	-68.92	419.41	3.79	-65.13
CC[N@@H+]1CCCC(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025124887	0	57	0.0	-68.96	446.71	4.78	-64.18
CC[N@H+]1CCCC(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025124887	1	57	0.0	-63.73	440.27	4.98	-58.75
CN(CCCN(C)C(=O)C1CCC[N@@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124898	0	55	0.0	-67.46	441.25	5.00	-62.46
CN(CCCN(C)C(=O)C1CCC[N@H+]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124898	1	55	0.0	-71.17	437.63	4.55	-66.62
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+]1CCCC1	REAL300025124917	0	55	0.0	-72.58	447.87	5.01	-67.57
CC[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124952	0	50	0.0	-70.97	405.59	3.36	-67.61
CN(CCCN(C)C(=O)CN1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124979	0	53	0.0	-65.89	426.96	4.57	-61.32
CN(CCCN(C)C(=O)C[N@@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124979	1	53	0.0	-66.77	427.62	4.69	-62.08
CN(CCCN(C)C(=O)C[N@H+]1CC2C=CC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124979	1	53	0.0	-66.77	427.62	4.69	-62.08
CN(CCCN(C)C(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125021	0	54	0.0	-76.14	420.81	0.81	-75.33
COCCN(C)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125052	0	54	0.0	-71.11	437.97	2.51	-68.60
COCC[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125052	1	54	0.0	-69.26	438.48	2.54	-66.72
COCC[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125052	1	54	0.0	-69.26	438.48	2.54	-66.72
CC(CCC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025125055	0	56	0.0	-72.91	445.76	4.51	-68.40
CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025125067	0	54	0.0	-66.05	434.64	4.72	-61.33
CN(CCCN(C)C(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125091	0	52	0.0	-69.93	415.25	3.69	-66.24
CN(CCCN(C)C(=O)C[N@@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125098	0	55	0.0	-69.74	434.82	4.82	-64.92
CN(CCCN(C)C(=O)C[N@H+]1CC2CCC1C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125098	1	55	0.0	-69.74	434.82	4.82	-64.92
CC(C[NH+](C)C)C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125111	0	53	0.0	-71.29	421.63	3.72	-67.57
CC[N@@H+]1CCC1C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125138	0	51	0.0	-68.07	418.28	3.58	-64.49
CN(CCCN(C)C(=O)C1=C[NH+]=CC=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125165	0	47	0.0	-70.31	397.58	0.62	-69.69
CCCC(C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025125172	0	56	0.0	-66.17	437.37	4.38	-61.79
CN(CCCN(C)C(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125176	0	53	0.0	-75.81	408.61	3.44	-72.37
CC(CC[NH+](C)C)C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125189	0	56	0.0	-71.97	443.26	4.35	-67.62
CN(CCCN(C)C(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125236	0	57	0.0	-70.64	447.14	4.53	-66.11
CN(CCCN(C)C(=O)C1CC(C)(C)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125236	1	57	0.0	-68.00	446.76	4.41	-63.59
CN(CCCN(C)C(=O)CN1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125243	1	56	0.0	-70.48	447.27	2.21	-68.27
CN(CCCN(C)C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125305	0	52	0.0	-68.50	423.49	4.57	-63.93
CN(CCCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125320	0	54	0.0	-69.64	428.53	4.30	-65.34
CN(CCCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125320	1	54	0.0	-67.13	427.64	4.24	-62.89
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300025125375	0	52	0.0	-74.21	426.17	4.26	-69.95
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300025125375	1	52	0.0	-74.26	425.21	4.28	-69.98
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC1=CC=[NH+]C=C1	REAL300025125377	0	50	0.0	-69.49	423.85	1.97	-67.52
CN(CCCN(C)C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300025125400	0	41	0.0	-27.32	365.35	-1.68	-29.00
CN(CCCN(C)C(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125426	0	57	0.0	-68.77	429.16	4.33	-64.44
CCC1C[NH+](CC(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025125433	0	54	0.0	-69.49	440.80	4.55	-64.94
CN(CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125442	0	51	0.0	-69.34	407.49	3.24	-66.10
CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125442	1	51	0.0	-66.66	412.93	3.54	-63.12
CN(CCCN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125516	0	54	0.0	-72.81	436.94	4.44	-68.37
CN(CCCN(C)C(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125523	0	57	0.0	-74.38	457.80	4.99	-69.39
CN(CCCN(C)C(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125524	0	55	0.0	-62.56	434.59	4.76	-57.80
CN(CCCN(C)C(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125524	1	55	0.0	-63.28	434.32	4.75	-58.53
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300025125551	0	54	0.0	-72.47	444.28	3.84	-68.63
CN(CCCN(C)C(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300025125574	0	47	0.0	-65.60	415.21	2.88	-62.72
CN(CCCN(C)C(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125626	0	54	0.0	-64.85	421.61	4.25	-60.60
CN(CCCN(C)C(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125626	1	54	0.0	-64.85	421.61	4.25	-60.60
CN(CCCN(C)C(=O)C[NH+]1CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125627	0	57	0.0	-68.56	439.22	4.75	-63.81
CN(CCCN(C)C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125629	0	49	0.0	-67.06	419.37	6.21	-60.85
CN(CCCN(C)C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125648	0	51	0.0	-66.12	417.40	4.12	-62.00
CC(CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025125662	0	56	0.0	-74.97	445.59	4.77	-70.20
CN(CCCN(C)C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125753	0	51	0.0	-74.59	419.85	3.57	-71.02
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300025125775	0	54	0.0	-70.39	438.54	0.74	-69.65
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300025125775	1	54	0.0	-70.39	438.54	0.74	-69.65
CN(CCCN(C)C(=O)CC1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125789	0	57	0.0	-71.92	447.12	4.93	-66.99
CN(CCCN(C)C(=O)CC1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125789	1	57	0.0	-71.92	447.12	4.93	-66.99
CC1CC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125801	0	51	0.0	-69.43	414.19	3.52	-65.91
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300025125807	0	51	0.0	-73.98	424.54	3.98	-70.00
CN(CCCN(C)C(=O)CN1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125812	0	54	0.0	-68.82	438.55	4.27	-64.55
CN(CCCN(C)C(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125812	1	54	0.0	-68.82	438.55	4.27	-64.55
CC[NH+](CC)CC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125846	0	53	0.0	-69.41	424.23	4.07	-65.34
CN(CCCN(C)C(=O)CN1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125855	0	48	0.0	-69.26	398.23	3.12	-66.14
CN(CCCN(C)C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125855	1	48	0.0	-69.26	398.23	3.12	-66.14
CC[NH+](CC)CCC(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125882	0	56	0.0	-73.77	442.01	4.40	-69.37
CN(CCCN(C)C(=O)C(C)(C)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125941	0	56	0.0	-69.86	425.89	3.92	-65.94
CN(CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125968	0	54	0.0	-68.32	416.57	3.80	-64.52
CN(CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125968	1	54	0.0	-68.32	416.57	3.80	-64.52
CN(CCCN(C)C(=O)CC(O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125985	0	54	0.0	-78.83	441.00	1.78	-77.05
C=CCC(C(=O)N(C)CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025126004	0	54	0.0	-64.62	429.32	4.09	-60.53
CN(CCCN(C)C(=O)C1(C)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025126014	0	57	0.0	-70.68	436.42	4.28	-66.40
CN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300025126035	0	45	0.0	-76.03	396.94	-0.33	-76.36
CN(CCCN(C)C(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025126055	0	57	0.0	-74.38	457.80	4.99	-69.39
CN(CCCN(C)C(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025126056	0	55	0.0	-63.28	434.32	4.75	-58.53
CN(CCCN(C)C(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025126056	1	55	0.0	-63.28	434.32	4.75	-58.53
CCC1C[NH+](CC(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025126134	0	54	0.0	-69.49	440.80	4.55	-64.94
CN(CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025126139	0	51	0.0	-69.34	407.49	3.24	-66.10
CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025126139	1	51	0.0	-66.66	412.93	3.54	-63.12
CN(CCCN(C)C(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025126152	0	54	0.0	-68.12	429.97	4.58	-63.54
CC1C(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025126156	0	54	0.0	-72.02	430.10	3.97	-68.05
CC1C(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025126156	1	54	0.0	-69.98	424.80	3.98	-66.00
CC(=O)N1CC2CCC(C1)[NH+]2C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025126237	0	53	0.0	-77.38	400.09	3.87	-73.51
CC(=O)N1CCC([NH+]2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025126238	0	53	0.0	-77.80	400.22	3.85	-73.95
C[N@@H+]1CCCC1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126395	0	51	0.0	-58.31	412.09	1.50	-56.81
C[N@H+]1CCCC1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126395	1	51	0.0	-73.97	408.49	1.27	-72.70
CCC(C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025126495	0	53	0.0	-72.37	409.57	1.29	-71.08
CCC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126500	0	53	0.0	-77.39	425.13	1.88	-75.51
CCC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126500	1	53	0.0	-76.57	425.09	1.88	-74.69
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126508	0	51	0.0	-72.79	405.74	1.15	-71.64
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126508	1	51	0.0	-70.08	409.86	1.46	-68.62
CC[NH+](CC)CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126513	0	53	0.0	-74.71	421.90	1.82	-72.89
CC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126569	0	53	0.0	-77.28	425.95	1.75	-75.53
CC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126569	1	53	0.0	-77.37	425.94	1.75	-75.62
CC[C@@H](C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025126572	0	53	0.0	-73.76	416.69	1.54	-72.22
C[NH+](C)CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126590	0	47	0.0	-76.84	385.85	0.46	-76.38
CC(C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025126594	1	51	0.0	-73.28	404.56	1.10	-72.18
C[N@H+](CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025126600	0	51	0.0	-74.05	415.17	1.88	-72.17
C[N@@H+](CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025126600	1	51	0.0	-73.21	415.12	1.87	-71.34
C[NH+]1CC(CC(=O)N2CCOC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025126606	0	51	0.0	-75.90	417.15	1.34	-74.56
C[C@@H](C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025126613	0	50	0.0	-71.67	402.37	0.94	-70.73
[N-]=[N+]=NCC(=O)N1CCOC2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025126616	0	41	0.0	-24.63	362.82	-3.94	-28.57
C[C@@H](C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025126634	0	50	0.0	-71.67	402.37	0.94	-70.73
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[NH+]1CCC1)CCO2	REAL300025126652	1	48	0.0	-74.29	397.34	1.07	-73.22
C[C@H](C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025126663	0	50	0.0	-71.11	402.48	0.91	-70.20
CC1C[NH+](CC(=O)N2CCOC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025126669	1	51	0.0	-75.71	418.41	1.70	-74.01
CC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126686	0	50	0.0	-76.98	403.61	1.13	-75.85
CC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126686	1	50	0.0	-77.03	403.63	1.14	-75.89
C[NH+](C)CC=CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126702	0	51	0.0	-82.72	420.78	1.69	-81.03
CC[N@@H+]1CCC1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126708	1	51	0.0	-73.77	408.87	1.17	-72.60
CC[N@H+]1CCC1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126708	1	51	0.0	-75.09	418.40	1.58	-73.51
C[NH+](C)C(C)(C)C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126721	0	53	0.0	-74.54	406.54	0.90	-73.64
C[NH+](C)C1(C(=O)N2CCOC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025126743	0	51	0.0	-77.71	409.83	1.30	-76.41
CC(C[NH+](C)C)C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126765	0	53	0.0	-71.90	423.42	1.56	-70.34
CC1CC[N@@H+]1CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126774	1	51	0.0	-75.70	417.23	1.56	-74.14
CC1CC[N@H+]1CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025126774	1	51	0.0	-75.72	417.49	1.49	-74.23
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025126883	0	51	0.0	-69.67	406.40	1.16	-68.51
C[N@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025126883	1	51	0.0	-69.48	409.44	1.44	-68.04
CCC(C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300025126954	0	53	0.0	-68.94	416.61	1.53	-67.41
CCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025126958	0	53	0.0	-71.81	426.53	2.09	-69.72
CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025126958	1	53	0.0	-71.99	426.55	2.10	-69.89
CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025126975	0	53	0.0	-74.95	427.41	1.92	-73.03
CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025126975	1	53	0.0	-75.13	426.01	1.79	-73.34
CC[C@@H](C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300025127015	0	53	0.0	-71.18	419.50	1.69	-69.49
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127061	0	51	0.0	-69.65	406.42	1.16	-68.49
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127061	1	51	0.0	-69.56	407.27	1.44	-68.12
C[C@@H](C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300025127115	0	50	0.0	-70.99	403.31	0.92	-70.07
CC1C[NH+](CC(=O)N2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO3)C1	REAL300025127139	1	51	0.0	-72.49	417.20	1.64	-70.85
CC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127157	0	50	0.0	-71.60	405.03	1.34	-70.26
CC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127157	1	50	0.0	-71.68	405.03	1.35	-70.33
CC(C[NH+](C)C)C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127187	0	53	0.0	-74.71	423.39	1.73	-72.98
C[NH+](C)C1(C(=O)N2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO3)CC1	REAL300025127190	0	51	0.0	-78.10	411.20	1.57	-76.53
C[C@H](C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300025127194	0	50	0.0	-69.87	404.97	1.07	-68.80
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127197	1	51	0.0	-70.07	407.35	1.29	-68.78
CC[N@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127197	1	51	0.0	-64.00	409.50	1.14	-62.86
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127205	0	53	0.0	-76.18	408.28	1.60	-74.58
[N-]=[N+]=NCC(=O)N1CC2(C1)CN(C(=O)CSC1=NC(=O)NN1)CCO2	REAL300025127251	0	41	0.0	-25.96	362.86	-3.86	-29.82
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127264	0	51	0.0	-59.38	411.74	1.57	-57.81
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127264	1	51	0.0	-65.34	404.87	1.03	-64.31
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)C1CC1	REAL300025127301	0	51	0.0	-69.08	415.18	1.95	-67.13
C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)C1CC1	REAL300025127301	1	51	0.0	-69.50	416.72	2.10	-67.40
C[NH+]1CC(CC(=O)N2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO3)C1	REAL300025127329	0	51	0.0	-75.32	418.61	1.51	-73.81
C[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127332	0	47	0.0	-72.73	385.89	0.54	-72.19
C[C@@H](C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300025127335	0	50	0.0	-70.99	403.31	0.92	-70.07
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127342	1	51	0.0	-70.01	412.90	1.49	-68.52
CC1CC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127342	1	51	0.0	-60.21	412.85	1.48	-58.73
C[NH+](C)CC=CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127343	0	51	0.0	-79.43	423.14	1.88	-77.55
CC[NH+](CC)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127349	0	53	0.0	-70.33	417.48	1.62	-68.71
O=C(C[NH+]1CCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025127350	1	48	0.0	-72.69	396.01	0.97	-71.72
CC(C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+]1CCC1	REAL300025127372	1	51	0.0	-70.26	411.46	1.39	-68.87
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025127440	0	51	0.0	-70.39	407.08	1.36	-69.03
C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025127440	1	51	0.0	-74.08	405.70	1.13	-72.95
C[NH+](C)CC(=O)NCC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025127560	0	50	0.0	-68.44	416.02	0.17	-68.27
C[C@@H](C(=O)NCC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1)[NH+](C)C	REAL300025127565	0	53	0.0	-65.41	434.32	0.55	-64.86
[N-]=[N+]=NCC(=O)NCC1CCC2(CN(C(=O)CSC3=NC(=O)NN3)C2)O1	REAL300025127568	0	44	0.0	-25.12	392.98	-4.23	-29.35
C[C@@H](C(=O)NCC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1)[NH+](C)C	REAL300025127578	0	53	0.0	-65.41	434.32	0.55	-64.86
C[C@H](C(=O)NCC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1)[NH+](C)C	REAL300025127591	0	53	0.0	-65.79	434.40	0.55	-65.24
CC[N@H+](C)CC(=O)NCC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025127603	0	53	0.0	-67.52	433.74	0.85	-66.67
CC[N@@H+](C)CC(=O)NCC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025127603	1	53	0.0	-67.38	433.73	0.86	-66.52
C[C@@H](C(=O)N1CC2(C1)CCC(CNC(=O)CSC1=NNC(=O)[N-]1)O2)[NH+](C)C	REAL300025127740	0	53	0.0	-73.67	433.41	0.64	-73.03
CC[N@H+](C)CC(=O)N1CC2(C1)CCC(CNC(=O)CSC1=NNC(=O)[N-]1)O2	REAL300025127759	0	53	0.0	-69.38	433.73	0.84	-68.54
CC[N@@H+](C)CC(=O)N1CC2(C1)CCC(CNC(=O)CSC1=NNC(=O)[N-]1)O2	REAL300025127759	1	53	0.0	-69.19	433.73	0.84	-68.35
C[C@H](C(=O)N1CC2(C1)CCC(CNC(=O)CSC1=NNC(=O)[N-]1)O2)[NH+](C)C	REAL300025127772	0	53	0.0	-73.29	434.39	0.50	-72.79
[N-]=[N+]=NCC(=O)N1CC2(C1)CCC(CNC(=O)CSC1=NC(=O)NN1)O2	REAL300025127796	0	44	0.0	-26.46	393.18	-4.27	-30.73
C[NH+](C)CC(=O)N1CC2(C1)CCC(CNC(=O)CSC1=NNC(=O)[N-]1)O2	REAL300025127823	0	50	0.0	-74.17	416.21	0.11	-74.06
C[C@@H](C(=O)N1CC2(C1)CCC(CNC(=O)CSC1=NNC(=O)[N-]1)O2)[NH+](C)C	REAL300025127826	0	53	0.0	-73.67	433.41	0.64	-73.03
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC2(CN(C(=O)C[NH+]3CCC3)C2)O1	REAL300025127833	1	51	0.0	-72.03	426.45	0.67	-71.36
C[N@@H+]1CCCC1C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025127967	0	51	0.0	-69.96	413.96	-0.04	-70.00
C[N@H+]1CCCC1C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025127967	1	51	0.0	-77.77	413.93	0.02	-77.75
CCC(C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025128067	0	53	0.0	-69.80	424.88	0.51	-69.29
CCC[N@H+](C)CC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128072	0	53	0.0	-73.51	433.42	0.89	-72.62
CCC[N@@H+](C)CC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128072	1	53	0.0	-73.53	433.43	0.90	-72.63
C[N@@H+]1CCC[C@@H]1C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128080	0	51	0.0	-71.93	413.68	-0.04	-71.97
C[N@H+]1CCC[C@@H]1C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128080	1	51	0.0	-75.28	420.39	0.47	-74.81
CC[NH+](CC)CC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128085	0	53	0.0	-71.57	426.23	0.57	-71.00
CC[N@H+](C)CCC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128141	0	53	0.0	-74.50	434.30	0.70	-73.80
CC[N@@H+](C)CCC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128141	1	53	0.0	-74.41	434.29	0.71	-73.70
CC[C@@H](C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025128144	0	53	0.0	-70.46	424.38	0.51	-69.95
C[NH+](C)CC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128162	0	47	0.0	-73.66	394.64	-0.51	-74.17
CC(C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025128166	1	51	0.0	-70.69	421.96	0.51	-70.18
C[N@H+](CC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025128172	0	51	0.0	-71.01	423.61	0.89	-70.12
C[N@@H+](CC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025128172	1	51	0.0	-71.47	423.75	0.89	-70.58
C[NH+]1CC(CC(=O)NC2COC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025128178	0	51	0.0	-73.19	426.09	0.32	-72.87
C[C@@H](C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025128185	0	50	0.0	-73.40	412.90	-0.21	-73.61
[N-]=[N+]=NCC(=O)NC1COC2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025128188	0	41	0.0	-24.91	371.61	-4.90	-29.81
C[C@@H](C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025128206	0	50	0.0	-73.40	412.90	-0.21	-73.61
C[C@H](C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025128235	0	50	0.0	-75.47	412.93	-0.19	-75.66
CC1C[NH+](CC(=O)NC2COC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025128241	1	51	0.0	-73.39	425.16	0.57	-72.82
CC[N@H+](C)CC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128258	0	50	0.0	-73.06	411.93	0.15	-72.91
CC[N@@H+](C)CC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128258	1	50	0.0	-73.07	411.93	0.15	-72.92
C[NH+](C)CC=CC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128274	0	51	0.0	-76.36	431.87	0.73	-75.63
CC[N@@H+]1CCC1C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128280	1	51	0.0	-71.20	418.53	0.34	-70.86
CC[N@H+]1CCC1C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128280	1	51	0.0	-72.41	425.85	0.48	-71.93
C[NH+](C)C(C)(C)C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128293	0	53	0.0	-76.49	421.85	0.64	-75.85
C[NH+](C)C1(C(=O)NC2COC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025128315	0	51	0.0	-81.68	416.99	0.67	-81.01
CC(C[NH+](C)C)C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128337	0	53	0.0	-74.36	432.75	0.75	-73.61
CC1CC[N@@H+]1CC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128346	1	51	0.0	-76.93	419.71	0.28	-76.65
CC1CC[N@H+]1CC(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025128346	1	51	0.0	-78.30	425.24	0.56	-77.74
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128455	0	51	0.0	-70.10	418.68	0.33	-69.77
C[N@H+]1CCCC1C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128455	1	51	0.0	-68.46	418.06	0.33	-68.13
CCC(C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2)[NH+](C)C	REAL300025128526	0	53	0.0	-71.32	424.89	0.44	-70.88
CCC[N@H+](C)CC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128530	0	53	0.0	-74.54	433.42	0.86	-73.68
CCC[N@@H+](C)CC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128530	1	53	0.0	-74.49	433.43	0.88	-73.61
CC[N@H+](C)CCC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128547	0	53	0.0	-76.44	434.29	0.68	-75.76
CC[N@@H+](C)CCC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128547	1	53	0.0	-76.43	434.29	0.68	-75.75
CC[C@@H](C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2)[NH+](C)C	REAL300025128587	0	53	0.0	-71.22	424.12	0.44	-70.78
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128633	0	51	0.0	-73.98	413.05	-0.06	-74.04
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128633	1	51	0.0	-68.10	420.48	0.34	-67.76
C[C@@H](C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2)[NH+](C)C	REAL300025128687	0	50	0.0	-73.26	411.62	-0.18	-73.44
CC1C[NH+](CC(=O)N2CC3(C2)CC(NC(=O)CSC2=NNC(=O)[N-]2)CO3)C1	REAL300025128711	1	51	0.0	-74.78	425.49	0.56	-74.22
CC[N@H+](C)CC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128729	0	50	0.0	-74.18	411.92	0.12	-74.06
CC[N@@H+](C)CC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128729	1	50	0.0	-74.12	411.93	0.14	-73.98
CC(C[NH+](C)C)C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128759	0	53	0.0	-71.25	434.52	0.60	-70.65
C[NH+](C)C1(C(=O)N2CC3(C2)CC(NC(=O)CSC2=NNC(=O)[N-]2)CO3)CC1	REAL300025128762	0	51	0.0	-79.23	418.00	0.35	-78.88
C[C@H](C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2)[NH+](C)C	REAL300025128766	0	50	0.0	-72.56	412.33	-0.16	-72.72
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128769	1	51	0.0	-72.37	415.72	0.05	-72.32
CC[N@H+]1CCC1C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128769	1	51	0.0	-73.69	425.67	0.39	-73.30
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128777	0	53	0.0	-77.25	416.55	0.50	-76.75
[N-]=[N+]=NCC(=O)N1CC2(C1)CC(NC(=O)CSC1=NC(=O)NN1)CO2	REAL300025128823	0	41	0.0	-28.97	371.55	-5.01	-33.98
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128836	0	51	0.0	-68.34	418.93	0.33	-68.01
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128836	1	51	0.0	-70.42	413.60	-0.05	-70.47
C[N@H+](CC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2)C1CC1	REAL300025128873	0	51	0.0	-71.40	423.47	0.86	-70.54
C[N@@H+](CC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2)C1CC1	REAL300025128873	1	51	0.0	-72.03	423.61	0.86	-71.17
C[NH+]1CC(CC(=O)N2CC3(C2)CC(NC(=O)CSC2=NNC(=O)[N-]2)CO3)C1	REAL300025128901	0	51	0.0	-76.11	425.48	0.28	-75.83
C[NH+](C)CC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128904	0	47	0.0	-75.00	394.19	-0.55	-75.55
C[C@@H](C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2)[NH+](C)C	REAL300025128907	0	50	0.0	-73.26	411.62	-0.18	-73.44
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128914	1	51	0.0	-72.49	420.02	0.29	-72.20
CC1CC[N@H+]1CC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128914	1	51	0.0	-72.59	425.36	0.55	-72.04
C[NH+](C)CC=CC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128915	0	51	0.0	-79.18	429.91	0.65	-78.53
CC[NH+](CC)CC(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2	REAL300025128921	0	53	0.0	-72.70	425.78	0.53	-72.17
O=C(CSC1=NNC(=O)[N-]1)NC1COC2(CN(C(=O)C[NH+]3CCC3)C2)C1	REAL300025128922	1	48	0.0	-74.67	404.29	-0.11	-74.78
CC(C(=O)N1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CO2)[NH+]1CCC1	REAL300025128944	1	51	0.0	-72.28	419.72	0.30	-71.98
C[N@@H+]1CCC[C@H]1C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025129012	0	51	0.0	-77.14	419.83	0.51	-76.63
C[N@H+]1CCC[C@H]1C(=O)NC1COC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025129012	1	51	0.0	-72.84	414.17	0.03	-72.81
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300025129134	0	55	0.0	-64.95	411.94	3.15	-61.80
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300025129134	1	55	0.0	-64.23	415.23	3.42	-60.81
CCC(C(=O)N1CCC(CC)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025129234	0	57	0.0	-74.16	424.25	3.69	-70.47
CCC[N@H+](C)CC(=O)N1CCC(CC)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129239	0	57	0.0	-67.21	432.62	3.99	-63.22
CCC[N@@H+](C)CC(=O)N1CCC(CC)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129239	1	57	0.0	-67.17	432.63	3.98	-63.19
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	REAL300025129247	0	55	0.0	-72.41	413.05	3.34	-69.07
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	REAL300025129247	1	55	0.0	-74.95	412.53	3.13	-71.82
CC[NH+](CC)CC(=O)N1CCC(CC)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129252	0	57	0.0	-65.61	424.87	3.61	-62.00
CC[N@H+](C)CCC(=O)N1CCC(CC)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129308	0	57	0.0	-68.09	433.88	3.95	-64.14
CC[N@@H+](C)CCC(=O)N1CCC(CC)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129308	1	57	0.0	-67.98	433.89	3.95	-64.03
CC[C@@H](C(=O)N1CCC(CC)(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025129311	0	57	0.0	-74.37	421.73	3.67	-70.70
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+](C)C)CC1	REAL300025129329	0	51	0.0	-76.69	393.28	2.61	-74.08
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C(C)[NH+]2CCC2)CC1	REAL300025129333	0	55	0.0	-65.09	421.55	3.54	-61.55
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@H+](C)C2CC2)CC1	REAL300025129339	0	55	0.0	-64.28	423.21	4.09	-60.19
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@@H+](C)C2CC2)CC1	REAL300025129339	1	55	0.0	-72.80	422.56	4.02	-68.78
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CC2C[NH+](C)C2)CC1	REAL300025129345	0	55	0.0	-77.86	424.57	3.48	-74.38
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300025129352	0	54	0.0	-73.06	408.64	3.01	-70.05
CCC1(NC(=O)CSC2=NC(=O)NN2)CCN(C(=O)CN=[N+]=[N-])CC1	REAL300025129355	0	45	0.0	-25.34	370.24	-1.78	-27.12
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300025129373	0	54	0.0	-73.06	408.64	3.01	-70.05
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025129391	1	52	0.0	-76.59	403.47	2.98	-73.61
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@@H](C)[NH+](C)C)CC1	REAL300025129402	0	54	0.0	-73.84	410.13	2.97	-70.87
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CC(C)C2)CC1	REAL300025129408	1	55	0.0	-76.49	424.57	3.71	-72.78
CC[N@H+](C)CC(=O)N1CCC(CC)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129425	0	54	0.0	-66.89	411.12	3.25	-63.64
CC[N@@H+](C)CC(=O)N1CCC(CC)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129425	1	54	0.0	-75.95	411.00	3.28	-72.67
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C=CC[NH+](C)C)CC1	REAL300025129441	0	55	0.0	-72.38	428.46	3.84	-68.54
CC[N@@H+]1CCC1C(=O)N1CCC(CC)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129447	0	55	0.0	-64.83	414.25	3.13	-61.70
CC[N@H+]1CCC1C(=O)N1CCC(CC)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129447	1	55	0.0	-74.05	413.32	2.95	-71.10
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C(C)(C)[NH+](C)C)CC1	REAL300025129460	0	57	0.0	-65.32	415.22	3.04	-62.28
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2([NH+](C)C)CC2)CC1	REAL300025129482	0	55	0.0	-68.12	412.70	2.95	-65.17
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C(C)C[NH+](C)C)CC1	REAL300025129504	0	57	0.0	-78.28	428.40	3.61	-74.67
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@@H+]2CCC2C)CC1	REAL300025129513	0	55	0.0	-73.70	420.12	3.56	-70.14
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@H+]2CCC2C)CC1	REAL300025129513	1	55	0.0	-74.93	424.60	3.68	-71.25
CCC1(NC(=O)C2CCC[N@@H+]2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129622	0	55	0.0	-70.82	411.16	3.09	-67.73
CCC1(NC(=O)C2CCC[N@H+]2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129622	1	55	0.0	-69.83	411.69	3.18	-66.65
CCC(C(=O)NC1(CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025129693	0	57	0.0	-69.50	423.70	3.76	-65.74
CCC[N@H+](C)CC(=O)NC1(CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129696	0	57	0.0	-72.31	432.61	4.09	-68.22
CCC[N@@H+](C)CC(=O)NC1(CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129696	1	57	0.0	-72.86	432.61	4.07	-68.79
CC[N@H+](C)CCC(=O)NC1(CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129712	0	57	0.0	-72.56	433.37	3.92	-68.64
CC[N@@H+](C)CCC(=O)NC1(CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129712	1	57	0.0	-73.48	433.37	3.92	-69.56
CC[C@@H](C(=O)NC1(CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025129737	0	57	0.0	-69.04	423.89	3.68	-65.36
CCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129774	0	55	0.0	-68.14	419.92	3.84	-64.30
CCC1(NC(=O)[C@H]2CCC[N@H+]2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129774	1	55	0.0	-72.04	411.28	3.15	-68.89
CCC1(NC(=O)[C@H](C)[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129818	0	54	0.0	-70.18	411.88	3.09	-67.09
CCC1(NC(=O)C[NH+]2CC(C)C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129842	1	55	0.0	-73.07	423.34	3.88	-69.19
CC[N@H+](C)CC(=O)NC1(CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129858	0	54	0.0	-72.13	411.56	3.47	-68.66
CC[N@@H+](C)CC(=O)NC1(CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129858	1	54	0.0	-72.47	411.11	3.33	-69.14
CCC1(NC(=O)C(C)C[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129883	0	57	0.0	-72.80	431.92	3.97	-68.83
CCC1(NC(=O)[C@@H](C)[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129887	0	54	0.0	-71.04	411.64	3.14	-67.90
CC[N@@H+]1CCC1C(=O)NC1(CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129890	1	55	0.0	-71.64	424.90	3.72	-67.92
CC[N@H+]1CCC1C(=O)NC1(CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129890	1	55	0.0	-71.77	424.92	3.67	-68.10
CCC1(NC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025129937	0	45	0.0	-23.94	370.30	-1.68	-25.62
CCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129946	0	55	0.0	-71.52	411.55	3.28	-68.24
CCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129946	1	55	0.0	-69.33	416.76	3.68	-65.65
CCC1(NC(=O)C[N@H+](C)C2CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129976	0	55	0.0	-69.87	422.55	4.13	-65.74
CCC1(NC(=O)C[N@@H+](C)C2CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129976	1	55	0.0	-70.14	422.54	4.13	-66.01
CCC1(NC(=O)CC2C[NH+](C)C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025130000	0	55	0.0	-72.07	424.73	3.54	-68.53
CCC1(NC(=O)C[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025130003	0	51	0.0	-73.27	393.34	2.71	-70.56
CCC1(NC(=O)[C@H](C)[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025130006	0	54	0.0	-70.18	411.88	3.09	-67.09
CCC1(NC(=O)C[N@@H+]2CCC2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025130011	1	55	0.0	-71.29	424.61	3.78	-67.51
CCC1(NC(=O)C[N@H+]2CCC2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025130011	1	55	0.0	-70.92	424.71	3.76	-67.16
CCC1(NC(=O)C=CC[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025130012	0	55	0.0	-72.95	429.78	4.02	-68.93
CC[NH+](CC)CC(=O)NC1(CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025130018	0	57	0.0	-70.97	429.55	4.00	-66.97
CCC1(NC(=O)C[NH+]2CCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025130019	1	52	0.0	-72.71	403.63	3.18	-69.53
CCC1(NC(=O)C(C)[NH+]2CCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025130036	1	55	0.0	-70.05	420.81	3.71	-66.34
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300025130095	0	55	0.0	-64.20	412.24	3.15	-61.05
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300025130095	1	55	0.0	-63.69	416.03	3.55	-60.14
C[NH+](C)CC(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025130286	0	52	0.0	-70.85	407.28	3.65	-67.20
C[C@@H](C(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025130291	0	55	0.0	-72.59	422.62	3.84	-68.75
[N-]=[N+]=NCC(=O)N1CCCC2(CCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025130294	0	46	0.0	-27.01	384.25	-0.76	-27.77
C[C@@H](C(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025130304	0	55	0.0	-72.59	422.62	3.84	-68.75
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(C1)CCCN(C(=O)C[NH+]1CCC1)C2	REAL300025130312	1	53	0.0	-71.58	416.14	3.86	-67.72
C[C@H](C(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025130317	0	55	0.0	-67.65	423.29	3.98	-63.67
CC[N@H+](C)CC(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025130329	0	55	0.0	-74.19	424.37	4.15	-70.04
CC[N@@H+](C)CC(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025130329	1	55	0.0	-74.19	424.38	4.15	-70.04
C[C@@H](C(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025130475	0	55	0.0	-69.22	424.01	3.79	-65.43
CC[N@H+](C)CC(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025130494	0	55	0.0	-70.38	424.85	4.25	-66.13
CC[N@@H+](C)CC(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025130494	1	55	0.0	-70.35	424.85	4.25	-66.10
C[C@H](C(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025130507	0	55	0.0	-62.18	424.79	4.06	-58.12
[N-]=[N+]=NCC(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025130532	0	46	0.0	-25.66	384.08	-0.82	-26.48
C[NH+](C)CC(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025130563	0	52	0.0	-71.77	407.28	3.67	-68.10
C[C@@H](C(=O)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025130566	0	55	0.0	-69.22	424.01	3.79	-65.43
O=C(C[NH+]1CCC1)N1CCC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025130573	1	53	0.0	-65.22	418.44	4.20	-61.02
C[N@@H+]1CCCC1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025130704	0	53	0.0	-65.57	406.32	-1.21	-66.78
C[N@H+]1CCCC1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025130704	1	53	0.0	-71.40	406.67	-1.19	-72.59
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025130797	0	53	0.0	-67.23	406.51	-1.22	-68.45
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025130797	1	53	0.0	-66.67	411.05	-0.85	-67.52
C[NH+](C)CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025130872	0	49	0.0	-69.02	388.29	-1.71	-70.73
CC(C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025130876	1	53	0.0	-67.03	407.41	-1.16	-68.19
C[N@H+](CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025130881	0	53	0.0	-65.17	417.57	-0.30	-65.47
C[N@@H+](CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025130881	1	53	0.0	-66.79	417.81	-0.27	-67.06
C[NH+]1CC(CC(=O)N2CCCC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025130886	0	53	0.0	-71.98	419.70	-0.84	-72.82
C[C@@H](C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025130893	0	52	0.0	-68.48	404.25	-1.34	-69.82
[N-]=[N+]=NCC(=O)N1CCCC(CO)(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025130896	0	43	0.0	-24.01	366.99	-5.93	-29.94
C[C@@H](C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025130913	0	52	0.0	-68.48	404.25	-1.34	-69.82
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CCCN(C(=O)C[NH+]2CCC2)C1	REAL300025130925	1	50	0.0	-69.61	398.71	-1.22	-70.83
C[C@H](C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025130933	0	52	0.0	-66.88	404.21	-1.38	-68.26
CC1C[NH+](CC(=O)N2CCCC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025130939	1	53	0.0	-70.21	418.55	-0.53	-70.74
CC[N@H+](C)CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025130954	0	52	0.0	-69.52	406.00	-1.04	-70.56
CC[N@@H+](C)CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025130954	1	52	0.0	-68.77	406.11	-1.01	-69.78
C[NH+](C)CC=CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025130969	0	53	0.0	-75.84	424.98	-0.30	-76.14
CC[N@@H+]1CCC1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025130973	1	53	0.0	-70.61	419.21	-0.77	-71.38
CC[N@H+]1CCC1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025130973	1	53	0.0	-67.60	410.21	-1.10	-68.70
C[NH+](C)C1(C(=O)N2CCCC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025131002	0	53	0.0	-75.52	409.75	-1.31	-76.83
CC1CC[N@@H+]1CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131025	1	53	0.0	-68.45	419.50	-0.65	-69.10
CC1CC[N@H+]1CC(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131025	1	53	0.0	-68.20	419.40	-0.59	-68.79
C[N@@H+]1CCCC1C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131125	0	53	0.0	-59.76	416.59	-0.41	-60.17
C[N@H+]1CCCC1C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131125	1	53	0.0	-60.79	409.28	-0.85	-61.64
C[N@@H+]1CCC[C@@H]1C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131253	0	53	0.0	-61.24	408.33	-0.94	-62.18
C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131253	1	53	0.0	-60.36	414.44	-0.46	-60.82
C[C@@H](C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025131295	0	52	0.0	-61.62	408.20	-1.03	-62.65
CC1C[NH+](CC(=O)NC2(CO)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025131316	1	53	0.0	-61.93	420.14	-0.25	-62.18
CC[N@H+](C)CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131331	0	52	0.0	-61.94	407.68	-0.81	-62.75
CC[N@@H+](C)CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131331	1	52	0.0	-62.06	407.86	-0.78	-62.84
C[C@H](C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025131354	0	52	0.0	-61.15	407.82	-1.07	-62.22
CC[N@@H+]1CCC1C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131356	1	53	0.0	-60.61	413.15	-0.89	-61.50
CC[N@H+]1CCC1C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131356	1	53	0.0	-60.89	421.83	-0.41	-61.30
[N-]=[N+]=NCC(=O)NC1(CO)CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025131395	0	43	0.0	-21.32	367.06	-5.83	-27.15
C[N@@H+]1CCC[C@H]1C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131403	0	53	0.0	-59.99	415.33	-0.36	-60.35
C[N@H+]1CCC[C@H]1C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131403	1	53	0.0	-61.62	407.39	-0.99	-62.61
C[N@H+](CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025131429	0	53	0.0	-60.13	419.39	-0.04	-60.17
C[N@@H+](CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025131429	1	53	0.0	-60.10	419.27	-0.05	-60.15
C[NH+]1CC(CC(=O)NC2(CO)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025131448	0	53	0.0	-65.01	421.52	-0.61	-65.62
C[NH+](C)CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131451	0	49	0.0	-63.08	390.00	-1.45	-64.53
C[C@@H](C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025131454	0	52	0.0	-61.62	408.20	-1.03	-62.65
CC1CC[N@@H+]1CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131459	1	53	0.0	-61.06	421.32	-0.36	-61.42
CC1CC[N@H+]1CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131459	1	53	0.0	-61.08	421.43	-0.37	-61.45
C[NH+](C)CC=CC(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131460	0	53	0.0	-67.46	427.34	-0.19	-67.65
CC(C(=O)NC1(CO)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025131479	1	53	0.0	-60.40	419.88	-0.47	-60.87
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131526	0	53	0.0	-65.91	409.89	-0.96	-66.87
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025131526	1	53	0.0	-66.34	406.11	-1.21	-67.55
C[N@@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025131637	0	53	0.0	-67.66	417.76	0.21	-67.45
C[N@H+]1CCCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025131637	1	53	0.0	-69.42	411.35	-0.33	-69.75
C[N@@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025131720	0	53	0.0	-73.44	410.81	-0.26	-73.70
C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025131720	1	53	0.0	-65.92	417.86	0.16	-65.76
C[NH+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025131776	0	49	0.0	-71.64	391.65	-0.82	-72.46
CC(C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+]1CCC1	REAL300025131780	1	53	0.0	-69.13	419.83	0.27	-68.86
C[N@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)C1CC1	REAL300025131785	0	53	0.0	-69.73	420.69	0.60	-69.13
C[N@@H+](CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)C1CC1	REAL300025131785	1	53	0.0	-68.26	420.78	0.56	-67.70
C[NH+]1CC(CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)C1	REAL300025131790	0	53	0.0	-69.60	423.09	-0.01	-69.61
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+](C)C	REAL300025131797	0	52	0.0	-69.28	409.12	-0.36	-69.64
[N-]=[N+]=NCC(=O)NC1(CNC(=O)CSC2=NC(=O)NN2)CCOCC1	REAL300025131800	0	43	0.0	-25.39	368.38	-5.22	-30.61
C[C@@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+](C)C	REAL300025131814	0	52	0.0	-69.28	409.12	-0.36	-69.64
C[C@H](C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+](C)C	REAL300025131831	0	52	0.0	-71.58	409.64	-0.39	-71.97
CC1C[NH+](CC(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)C1	REAL300025131837	1	53	0.0	-72.65	421.49	0.34	-72.31
CC[N@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025131849	0	52	0.0	-72.19	409.15	-0.14	-72.33
CC[N@@H+](C)CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025131849	1	52	0.0	-72.07	409.16	-0.15	-72.22
C[NH+](C)CC=CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025131862	0	53	0.0	-73.63	427.36	0.41	-73.22
CC[N@@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025131866	1	53	0.0	-71.64	423.08	0.15	-71.49
CC[N@H+]1CCC1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025131866	1	53	0.0	-70.48	423.19	0.20	-70.28
CC1CC[N@@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025131905	1	53	0.0	-68.35	422.69	0.23	-68.12
CC1CC[N@H+]1CC(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025131905	1	53	0.0	-67.91	417.77	0.04	-67.87
C[N@@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132004	0	53	0.0	-71.19	411.00	-0.40	-71.59
C[N@H+]1CCCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132004	1	53	0.0	-66.14	411.41	-0.35	-66.49
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132154	0	53	0.0	-71.18	411.05	-0.36	-71.54
C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132154	1	53	0.0	-66.30	417.26	0.21	-66.09
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+](C)C	REAL300025132205	0	52	0.0	-68.53	409.51	-0.35	-68.88
CC1C[NH+](CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)C1	REAL300025132226	1	53	0.0	-69.57	421.29	0.33	-69.24
CC[N@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132243	0	52	0.0	-68.58	409.28	-0.16	-68.74
CC[N@@H+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132243	1	52	0.0	-67.12	409.10	-0.17	-67.29
C[NH+](C)C1(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)CC1	REAL300025132269	0	53	0.0	-76.81	413.06	0.70	-76.11
C[C@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+](C)C	REAL300025132273	0	52	0.0	-65.02	408.79	-0.31	-65.33
CC[N@@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132275	1	53	0.0	-65.99	415.80	-0.25	-66.24
CC[N@H+]1CCC1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132275	1	53	0.0	-69.06	423.10	0.17	-68.89
[N-]=[N+]=NCC(=O)NCC1(NC(=O)CSC2=NC(=O)NN2)CCOCC1	REAL300025132320	0	43	0.0	-26.14	368.38	-5.22	-31.36
C[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132331	0	53	0.0	-66.83	417.12	0.13	-66.70
C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132331	1	53	0.0	-71.32	411.70	-0.27	-71.59
C[N@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)C1CC1	REAL300025132362	0	53	0.0	-65.04	420.64	0.56	-64.48
C[N@@H+](CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)C1CC1	REAL300025132362	1	53	0.0	-64.88	420.78	0.56	-64.32
C[NH+]1CC(CC(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)C1	REAL300025132384	0	53	0.0	-67.58	422.82	-0.02	-67.60
C[NH+](C)CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132387	0	49	0.0	-67.97	391.37	-0.85	-68.82
C[C@@H](C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+](C)C	REAL300025132390	0	52	0.0	-68.53	409.51	-0.35	-68.88
CC1CC[N@@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132397	1	53	0.0	-67.34	417.21	-0.01	-67.35
CC1CC[N@H+]1CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132397	1	53	0.0	-65.74	422.71	0.23	-65.51
C[NH+](C)CC=CC(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132398	0	53	0.0	-71.53	427.34	0.36	-71.17
CC(C(=O)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1)[NH+]1CCC1	REAL300025132421	1	53	0.0	-64.69	421.41	0.14	-64.55
C[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132472	0	53	0.0	-67.04	417.89	0.16	-66.88
C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025132472	1	53	0.0	-73.54	409.13	-0.39	-73.93
C[NH+](C)CC(=O)NCC1=CC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300025132532	0	49	0.0	-72.76	414.83	2.95	-69.81
[N-]=[N+]=NCC(=O)NCC1=CC=C2CN(C(=O)CSC3=NC(=O)NN3)CC2=C1	REAL300025132537	0	43	0.0	-23.64	391.79	-1.45	-25.09
[N-]=[N+]=NCC(=O)N1CC2=CC=C(CNC(=O)CSC3=NC(=O)NN3)C=C2C1	REAL300025132639	0	43	0.0	-24.92	391.79	-1.48	-26.40
C[NH+](C)CC(=O)N1CC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2C1	REAL300025132652	0	49	0.0	-76.07	414.83	2.92	-73.15
C[N@@H+]1CCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025132827	0	49	0.0	-69.94	389.34	1.58	-68.36
C[N@H+]1CCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025132827	1	49	0.0	-67.80	393.26	1.77	-66.03
C[N@@H+]1CCOC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025132851	1	50	0.0	-87.37	400.39	1.06	-86.31
C[N@H+]1CCOC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025132851	1	50	0.0	-81.76	401.08	1.08	-80.68
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025132995	0	55	0.0	-72.42	418.09	3.22	-69.20
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025132995	1	55	0.0	-70.28	414.38	3.01	-67.27
CC1=[NH+]C=CN1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133018	1	47	0.0	-71.14	396.98	2.43	-68.71
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300025133038	0	53	0.0	-82.62	405.04	2.34	-80.28
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025133066	0	52	0.0	-74.41	401.24	2.21	-72.20
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025133066	1	52	0.0	-73.62	404.87	2.44	-71.18
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025133068	0	55	0.0	-71.79	424.81	2.45	-69.34
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025133068	1	55	0.0	-74.57	424.95	2.65	-71.92
CC[N@@H+]1CCOC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133073	1	53	0.0	-85.36	418.17	1.69	-83.67
CC[N@H+]1CCOC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133073	1	53	0.0	-79.43	411.28	1.52	-77.91
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133118	0	55	0.0	-69.91	424.25	2.67	-67.24
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300025133120	0	55	0.0	-75.03	436.41	3.33	-71.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300025133123	0	55	0.0	-75.40	431.55	3.30	-72.10
CC[N@@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133126	0	55	0.0	-68.22	425.94	3.06	-65.16
CC[N@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133126	1	55	0.0	-70.15	425.11	2.97	-67.18
C[NH+](C)C1(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025133136	0	52	0.0	-73.63	392.44	1.66	-71.97
CC(C)[C@@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025133142	0	54	0.0	-69.33	403.50	2.35	-66.98
C[N@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025133160	0	52	0.0	-71.94	413.67	2.80	-69.14
C[N@@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025133160	1	52	0.0	-71.88	413.70	2.79	-69.09
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133214	1	51	0.0	-69.23	412.65	2.58	-66.65
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133214	1	51	0.0	-71.86	415.37	2.83	-69.03
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133219	0	55	0.0	-73.29	435.53	3.22	-70.07
C[N@H+]1CCCC1CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133219	1	55	0.0	-73.48	429.50	2.89	-70.59
C[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025133235	0	52	0.0	-79.57	411.48	2.39	-77.18
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133262	0	52	0.0	-69.11	407.85	2.40	-66.71
C[N@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133262	1	52	0.0	-71.27	407.30	2.35	-68.92
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300025133315	1	53	0.0	-78.78	422.81	0.87	-77.91
CC1=C[NH+]=CN1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133327	1	47	0.0	-73.06	397.31	3.16	-69.90
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300025133343	0	53	0.0	-68.38	404.14	2.13	-66.25
C[N@@H+]1CCC(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133348	0	52	0.0	-76.82	414.09	2.48	-74.34
C[N@H+]1CCC(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133348	1	52	0.0	-77.94	413.99	2.48	-75.46
CCC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025133354	0	51	0.0	-72.77	398.04	1.87	-70.90
C[NH+](C)CCCCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133401	0	54	0.0	-76.98	432.92	3.00	-73.98
CC(C)C(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025133412	0	54	0.0	-75.22	416.94	2.28	-72.94
CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133413	0	54	0.0	-76.84	429.14	2.83	-74.01
CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133413	1	54	0.0	-76.87	429.11	2.82	-74.05
CCC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133416	0	51	0.0	-74.15	406.81	2.23	-71.92
CCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133416	1	51	0.0	-74.04	406.80	2.24	-71.80
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025133429	0	53	0.0	-79.17	400.51	1.69	-77.48
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025133429	1	53	0.0	-75.72	401.25	1.66	-74.06
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133451	0	49	0.0	-74.65	386.49	1.35	-73.30
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133451	1	49	0.0	-71.11	389.32	1.66	-69.45
CC[NH+](CC)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133478	0	51	0.0	-72.13	399.13	1.88	-70.25
CC1CC[NH+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025133531	0	55	0.0	-74.47	430.12	3.30	-71.17
C[NH+](C)CC1(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025133549	0	52	0.0	-71.31	415.96	2.43	-68.88
C[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025133595	0	52	0.0	-79.57	411.48	2.39	-77.18
CC(C)[C@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025133610	0	54	0.0	-74.44	408.31	2.29	-72.15
CCC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025133637	0	57	0.0	-69.30	428.57	3.24	-66.06
CC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133667	0	51	0.0	-76.05	407.61	2.09	-73.96
CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133667	1	51	0.0	-76.11	407.64	2.08	-74.03
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133690	0	52	0.0	-71.38	412.82	2.60	-68.78
CC1CCC[N@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133690	1	52	0.0	-70.41	406.24	2.20	-68.21
CC1CC[N@H+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133691	0	52	0.0	-73.32	413.64	2.57	-70.75
CC1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133691	1	52	0.0	-73.38	412.76	2.56	-70.82
CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133693	0	55	0.0	-73.22	432.63	3.05	-70.17
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133693	1	55	0.0	-73.19	432.46	3.06	-70.13
C[N@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025133694	0	57	0.0	-74.01	437.18	3.31	-70.70
C[N@@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025133694	1	57	0.0	-73.60	437.69	3.38	-70.22
CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025133701	0	51	0.0	-71.63	397.17	1.78	-69.85
C[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133773	0	45	0.0	-74.47	367.56	0.81	-73.66
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300025133776	0	55	0.0	-73.62	418.67	2.86	-70.76
CN1C=C[N+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025133779	0	47	0.0	-71.55	398.78	4.33	-67.22
C[N@@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133783	0	52	0.0	-69.97	401.61	2.22	-67.75
C[N@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133783	1	52	0.0	-75.23	411.52	2.35	-72.88
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025133788	0	53	0.0	-68.55	418.17	2.98	-65.57
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025133788	1	53	0.0	-72.46	416.56	2.67	-69.79
CC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025133800	1	49	0.0	-75.86	385.98	1.52	-74.34
CCC(CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025133804	0	57	0.0	-75.62	440.37	3.68	-71.94
C[NH+](C)CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133809	0	54	0.0	-75.19	406.18	1.80	-73.39
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300025133820	1	53	0.0	-78.81	420.63	-0.65	-79.46
C[N@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025133821	0	49	0.0	-70.95	396.81	2.22	-68.73
C[N@@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025133821	1	49	0.0	-71.44	396.98	2.23	-69.21
C[NH+]1CC(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133835	0	49	0.0	-74.48	398.99	1.68	-72.80
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133845	0	55	0.0	-71.15	428.30	2.48	-68.67
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133845	1	55	0.0	-70.06	428.19	2.48	-67.58
C[C@@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025133855	0	48	0.0	-71.62	383.60	1.19	-70.43
[N-]=[N+]=NCC(=O)N1CCC[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300025133862	0	39	0.0	-27.13	344.51	-3.58	-30.71
[NH2+]=C1SC=CN1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133904	0	45	0.0	-69.72	394.60	0.99	-68.73
C[N@H+](CCO)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133909	0	52	0.0	-76.12	417.99	-1.13	-77.25
C[N@@H+](CCO)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133909	1	52	0.0	-75.11	417.98	-1.16	-76.27
C[C@@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025133910	0	48	0.0	-71.62	383.60	1.19	-70.43
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133913	0	52	0.0	-74.74	399.90	2.04	-72.70
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133913	1	52	0.0	-70.62	408.01	2.42	-68.20
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300025133958	1	46	0.0	-74.19	377.85	1.28	-72.91
C[N@@H+]1CCC(=CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133972	0	50	0.0	-79.47	405.33	2.38	-77.09
C[N@H+]1CCC(=CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025133972	1	50	0.0	-80.41	405.34	2.38	-78.03
C[NH+](C)CCOCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025133992	0	52	0.0	-76.35	423.38	1.92	-74.43
C=CCC(C)(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025134003	0	55	0.0	-66.83	412.95	2.29	-64.54
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134020	0	53	0.0	-70.49	409.94	-1.68	-72.17
CC1CN(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025134037	0	49	0.0	-74.62	397.63	1.98	-72.64
CC1C[NH+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025134037	1	49	0.0	-74.62	397.63	1.98	-72.64
CN(CCO)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134054	0	49	0.0	-74.33	395.63	-1.75	-76.08
C[N@H+](CCO)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134054	1	49	0.0	-74.79	395.41	-1.76	-76.55
C[N@@H+](CCO)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134054	1	49	0.0	-74.79	395.41	-1.76	-76.55
CC[N@@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025134073	0	55	0.0	-72.62	428.35	2.96	-69.66
CC[N@H+]1CCCC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025134073	1	55	0.0	-72.62	428.35	2.96	-69.66
CC(CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025134075	0	54	0.0	-76.56	424.53	2.88	-73.68
CC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134078	0	48	0.0	-73.76	385.31	1.49	-72.27
CC[N@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025134102	0	52	0.0	-72.44	408.88	2.72	-69.72
CC[NH+](CC)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134110	0	54	0.0	-75.29	420.98	2.49	-72.80
CC1(C)CN(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025134124	0	52	0.0	-74.36	418.15	2.43	-71.93
CC1(C)C[NH+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025134124	1	52	0.0	-74.36	418.15	2.43	-71.93
CC1(O)CC[N@H+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025134140	0	53	0.0	-74.09	424.08	-0.77	-74.86
C[NH+](C)CC=CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134143	0	49	0.0	-81.34	402.44	2.04	-79.30
COCC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134156	1	52	0.0	-74.64	417.66	0.64	-74.00
COCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134156	1	52	0.0	-74.60	417.89	0.65	-73.95
C[NH+](C)C1(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025134173	0	55	0.0	-75.41	411.92	2.25	-73.16
CC(CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025134175	0	54	0.0	-79.36	420.90	2.61	-76.75
CC[N@@H+]1CCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134181	1	49	0.0	-71.47	391.50	1.51	-69.96
CC[N@H+]1CCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134181	1	49	0.0	-73.46	398.22	1.72	-71.74
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300025134191	0	53	0.0	-72.73	421.61	-0.71	-73.44
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300025134191	1	53	0.0	-70.96	413.41	-0.63	-71.59
C[NH+]1CCC(C)(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025134207	0	55	0.0	-76.34	415.92	2.30	-74.04
C=CCC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025134223	0	52	0.0	-68.72	408.99	2.21	-66.51
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134230	0	55	0.0	-73.45	426.38	2.49	-70.96
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134230	1	55	0.0	-70.73	426.66	2.41	-68.32
C[NH+](C)CCCCCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134232	0	57	0.0	-75.97	454.42	3.78	-72.19
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025134237	0	50	0.0	-74.17	402.36	2.65	-71.52
CCCC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025134249	0	54	0.0	-71.87	419.78	2.65	-69.22
C[NH+](C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134252	0	51	0.0	-73.07	388.86	1.23	-71.84
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134275	0	52	0.0	-69.11	407.85	2.40	-66.71
C[N@H+]1CCCCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134275	1	52	0.0	-71.27	407.30	2.35	-68.92
C[N@H+]1CC=C(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025134294	0	53	0.0	-73.63	426.67	3.18	-70.45
C[N@@H+]1CC=C(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025134294	1	53	0.0	-71.30	426.69	3.18	-68.12
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300025134324	0	53	0.0	-80.28	428.78	3.25	-77.03
C[NH+](C)C1(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025134350	0	49	0.0	-77.87	389.56	1.38	-76.49
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300025134351	0	52	0.0	-75.53	415.87	2.59	-72.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300025134372	0	52	0.0	-83.21	400.56	-1.07	-84.28
C[N@@H+]1CC2CC1(C(=O)N1CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025134376	0	50	0.0	-77.17	394.32	1.85	-75.32
C[N@H+]1CC2CC1(C(=O)N1CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025134376	1	50	0.0	-73.50	394.46	1.72	-71.78
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300025134381	0	53	0.0	-71.94	414.49	2.91	-69.03
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300025134381	1	53	0.0	-71.82	414.11	2.92	-68.90
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300025134416	1	51	0.0	-70.55	406.36	2.71	-67.84
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300025134416	1	51	0.0	-69.64	406.72	2.69	-66.95
CC(C[NH+](C)C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134446	0	51	0.0	-75.71	403.50	1.85	-73.86
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134485	0	55	0.0	-77.58	426.73	3.06	-74.52
C[N@H+]1CCCCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134485	1	55	0.0	-76.82	426.73	3.03	-73.79
CC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025134494	0	52	0.0	-71.25	416.01	2.31	-68.94
CC1CC[N@@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134496	1	49	0.0	-73.16	398.80	1.87	-71.29
CC1CC[N@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134496	1	49	0.0	-71.54	393.90	1.69	-69.85
C[NH+](C)CC(O)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134498	0	52	0.0	-79.44	420.02	-0.12	-79.56
CC1C[N@H+](C)CC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025134515	1	53	0.0	-88.66	414.35	1.37	-87.29
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025134515	1	53	0.0	-72.14	413.76	1.60	-70.54
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025134553	0	52	0.0	-73.66	416.52	2.53	-71.13
CC(CC[NH+](C)C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134557	0	54	0.0	-79.10	427.57	2.59	-76.51
C[NH+]1CCN(CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025134572	1	54	0.0	-75.07	426.56	0.32	-74.75
C[N@@H+]1CCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134742	0	49	0.0	-69.57	393.24	1.88	-67.69
C[N@H+]1CCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134742	1	49	0.0	-70.54	393.86	2.00	-68.54
C[N@@H+]1CCOC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025134768	1	50	0.0	-76.55	397.79	1.21	-75.34
C[N@H+]1CCOC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025134768	1	50	0.0	-87.69	404.94	1.38	-86.31
O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134916	1	53	0.0	-78.27	422.81	0.92	-77.35
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1	REAL300025134924	0	53	0.0	-78.63	412.15	2.91	-75.72
C[N@@H+]1CCC(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025134947	0	52	0.0	-77.40	414.10	2.52	-74.88
C[N@H+]1CCC(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025134947	1	52	0.0	-78.09	413.86	2.51	-75.58
CCC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025134953	0	51	0.0	-70.87	397.95	1.92	-68.95
C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134985	0	54	0.0	-77.83	432.90	3.06	-74.77
CC(C)C(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025134998	0	54	0.0	-72.49	416.57	3.14	-69.35
CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134999	0	54	0.0	-76.62	429.18	2.87	-73.75
CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025134999	1	54	0.0	-76.66	429.14	2.87	-73.79
CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135002	0	51	0.0	-73.49	406.77	2.33	-71.16
CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135002	1	51	0.0	-73.37	406.74	2.32	-71.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025135015	0	53	0.0	-85.19	408.55	2.19	-83.00
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025135015	1	53	0.0	-75.59	409.09	2.12	-73.47
CC1CC[NH+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025135040	0	55	0.0	-74.22	430.11	3.41	-70.81
C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025135077	0	52	0.0	-79.75	416.86	2.88	-76.87
CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135094	0	51	0.0	-75.82	407.64	2.13	-73.69
CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135094	1	51	0.0	-75.83	407.64	2.12	-73.71
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300025135106	0	53	0.0	-80.56	408.75	2.71	-77.85
C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025135144	0	52	0.0	-80.49	412.12	2.58	-77.91
CC(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025135159	0	54	0.0	-72.82	417.24	2.98	-69.84
C[NH+](C)C1(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025135222	0	52	0.0	-81.13	400.19	2.47	-78.66
CCC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025135249	0	57	0.0	-67.37	430.14	2.93	-64.44
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135258	0	52	0.0	-69.95	406.24	2.30	-67.65
CC1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135258	1	52	0.0	-70.04	406.17	2.28	-67.76
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135285	0	55	0.0	-72.87	420.37	3.18	-69.69
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135285	1	55	0.0	-71.58	415.49	2.80	-68.78
CC(C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025135292	0	54	0.0	-70.61	413.13	2.45	-68.16
CC1CC[N@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025135302	0	52	0.0	-72.23	413.83	2.58	-69.65
CC1CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025135302	1	52	0.0	-72.91	413.62	2.66	-70.25
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025135304	0	55	0.0	-72.67	432.54	3.15	-69.52
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025135304	1	55	0.0	-72.70	432.46	3.17	-69.53
C[N@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025135305	0	57	0.0	-73.55	437.14	3.39	-70.16
C[N@@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025135305	1	57	0.0	-73.17	437.65	3.47	-69.70
CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025135312	0	51	0.0	-69.49	398.20	1.92	-67.57
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135392	1	47	0.0	-70.43	397.02	2.54	-67.89
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025135435	1	53	0.0	-86.84	422.75	2.02	-84.82
CC[N@H+]1CCOC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025135435	1	53	0.0	-79.40	415.61	1.84	-77.56
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135455	1	47	0.0	-72.29	397.34	3.27	-69.02
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025135460	0	52	0.0	-75.62	405.11	2.12	-73.50
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025135460	1	52	0.0	-77.19	410.41	2.18	-75.01
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025135462	0	55	0.0	-75.58	424.23	2.59	-72.99
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025135462	1	55	0.0	-75.08	429.45	2.96	-72.12
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135467	0	55	0.0	-69.91	424.52	2.80	-67.11
O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135469	0	55	0.0	-75.08	436.35	3.38	-71.70
O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135473	0	55	0.0	-75.11	431.08	3.32	-71.79
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135476	0	55	0.0	-70.29	417.90	2.98	-67.31
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135476	1	55	0.0	-69.55	417.91	2.99	-66.56
C[N@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025135556	0	52	0.0	-71.24	413.63	2.90	-68.34
C[N@@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025135556	1	52	0.0	-71.35	413.78	2.92	-68.43
C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025135580	0	52	0.0	-80.49	412.12	2.58	-77.91
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135602	0	49	0.0	-74.02	387.58	1.49	-72.53
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135602	1	49	0.0	-70.13	393.30	1.97	-68.16
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135619	1	51	0.0	-71.02	414.20	2.70	-68.32
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135619	1	51	0.0	-71.14	419.99	3.21	-67.93
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135624	0	55	0.0	-78.24	434.96	3.42	-74.82
C[N@H+]1CCCC1CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135624	1	55	0.0	-79.07	431.11	3.27	-75.80
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135687	0	52	0.0	-71.43	400.19	2.35	-69.08
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135687	1	52	0.0	-70.54	400.21	2.36	-68.18
CC1C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025135736	0	52	0.0	-75.94	409.66	2.39	-73.55
CC1C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025135736	1	52	0.0	-73.69	408.78	2.10	-71.59
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135786	0	55	0.0	-72.49	408.66	2.39	-70.10
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135786	1	55	0.0	-70.37	429.05	2.66	-67.71
C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025135799	0	48	0.0	-71.59	385.65	1.32	-70.27
C=CCC(C)(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025135811	0	55	0.0	-76.42	419.37	2.70	-73.72
O=C(CC[NH+]1CCCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135823	0	52	0.0	-75.46	414.94	2.57	-72.89
C[N@H+](CCO)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135831	1	49	0.0	-74.15	395.60	-1.66	-75.81
C[N@@H+](CCO)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135831	1	49	0.0	-74.48	395.41	-1.65	-76.13
C[N@H+]1CC=C(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025135877	0	53	0.0	-72.17	426.73	3.25	-68.92
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025135877	1	53	0.0	-69.82	426.71	3.23	-66.59
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135895	0	53	0.0	-81.73	415.88	-1.00	-82.73
C[N@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135895	1	53	0.0	-79.95	415.39	-0.79	-80.74
CC1C[NH+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025135921	1	49	0.0	-73.72	398.51	2.00	-71.72
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025135927	0	55	0.0	-73.36	429.81	3.20	-70.16
CC[N@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025135927	1	55	0.0	-65.46	423.59	3.41	-62.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025135938	0	53	0.0	-76.13	417.89	2.93	-73.20
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025135938	1	53	0.0	-68.16	420.05	3.24	-64.92
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135959	0	53	0.0	-77.75	428.45	3.27	-74.48
CC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135996	0	48	0.0	-73.20	385.27	1.59	-71.61
O=C(CN1CC2C=CC1C2)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136025	0	51	0.0	-69.90	406.48	2.77	-67.13
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136025	1	51	0.0	-69.27	406.69	2.80	-66.47
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136025	1	51	0.0	-69.27	406.69	2.80	-66.47
COCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136100	0	52	0.0	-74.25	417.66	0.75	-73.50
COCC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136100	1	52	0.0	-74.38	417.85	0.74	-73.64
COCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136100	1	52	0.0	-74.38	417.85	0.74	-73.64
CC(CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025136103	0	54	0.0	-74.18	424.83	2.64	-71.54
CC[N@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025136116	0	52	0.0	-70.84	413.56	2.92	-67.92
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025136141	0	50	0.0	-78.55	400.00	1.99	-76.56
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136148	0	53	0.0	-71.62	413.92	3.01	-68.61
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136148	1	53	0.0	-71.62	413.92	3.01	-68.61
CC(C[NH+](C)C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136161	0	51	0.0	-75.46	406.02	2.20	-73.26
C[NH+](C)C1(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025136169	0	49	0.0	-80.37	391.04	1.97	-78.40
C[C@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025136185	0	48	0.0	-72.55	385.71	1.32	-71.23
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136189	1	49	0.0	-73.25	399.17	1.94	-71.31
CC[N@H+]1CCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136189	1	49	0.0	-73.09	399.18	1.94	-71.15
CCC(C)(C)[NH2+]C(C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136195	0	57	0.0	-69.55	432.97	1.52	-68.03
NC1=CC=[NH+]C=C1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136218	0	45	0.0	-77.57	375.66	-0.58	-78.15
CCCC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025136225	0	54	0.0	-71.41	422.81	3.29	-68.12
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136229	0	51	0.0	-79.29	394.82	2.08	-77.21
CC(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136242	0	54	0.0	-75.50	427.60	2.80	-72.70
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136290	0	55	0.0	-73.63	427.96	2.54	-71.09
C[N@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136290	1	55	0.0	-70.86	433.31	3.15	-67.71
C[NH+](C)CCCCCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136292	0	57	0.0	-77.24	454.41	3.83	-73.41
C[NH+]1CCN(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025136299	1	54	0.0	-73.38	426.56	0.43	-72.95
CC1C[N@H+](C)CC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025136340	1	53	0.0	-81.01	418.99	1.92	-79.09
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025136340	1	53	0.0	-89.68	426.14	2.11	-87.57
O=C(C[NH+]1CC2CC2C1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136367	0	50	0.0	-74.01	402.88	2.80	-71.21
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136384	0	52	0.0	-71.43	400.19	2.35	-69.08
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136384	1	52	0.0	-70.54	400.21	2.36	-68.18
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025136442	0	50	0.0	-77.66	406.43	2.47	-75.19
C[N@H+]1CCC(=CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025136442	1	50	0.0	-78.03	406.39	2.47	-75.56
O=C(CNC1=CC=[NH+]C=C1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136444	0	48	0.0	-75.32	403.30	0.20	-75.12
[N-]=[N+]=NCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025136467	0	39	0.0	-26.67	344.54	-3.48	-30.15
C[NH+](C)C1(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025136494	0	55	0.0	-81.20	419.21	3.10	-78.10
CCC1C[NH+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025136501	1	52	0.0	-74.84	420.21	2.78	-72.06
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136510	0	49	0.0	-69.56	393.22	1.88	-67.68
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136510	1	49	0.0	-72.04	387.48	1.46	-70.58
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025136588	0	52	0.0	-76.32	417.23	2.63	-73.69
C[NH+](C)CCC1(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025136596	0	55	0.0	-82.27	442.32	3.46	-78.81
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136597	0	53	0.0	-65.30	413.76	2.90	-62.40
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136597	1	53	0.0	-78.01	418.74	2.98	-75.03
C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136625	0	52	0.0	-74.70	423.38	1.97	-72.73
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136649	0	45	0.0	-69.42	394.65	1.11	-68.31
C[N@@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025136705	0	52	0.0	-65.41	405.93	2.75	-62.66
C[N@H+]1CCCC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025136705	1	52	0.0	-65.41	405.93	2.75	-62.66
O=C(C[NH+]1CCCCCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136706	0	55	0.0	-72.91	418.67	2.98	-69.93
CN1C=C[N+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025136709	0	47	0.0	-70.97	398.77	4.43	-66.54
O=C(CN1CCC(O)CC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136728	0	53	0.0	-77.33	420.39	-0.55	-77.88
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136728	1	53	0.0	-77.33	420.39	-0.55	-77.88
C[N@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025136729	0	49	0.0	-70.93	396.93	2.31	-68.62
CC(CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025136747	0	54	0.0	-76.71	424.70	2.91	-73.80
CN1CCOCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136764	0	53	0.0	-82.02	418.15	0.72	-81.30
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136764	1	53	0.0	-81.41	418.17	0.74	-80.67
C[N@H+]1CCOCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136764	1	53	0.0	-81.41	418.17	0.74	-80.67
CC1(O)CC[N@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025136825	0	53	0.0	-72.15	423.67	-0.67	-72.82
C[NH+]1CC(CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025136846	0	49	0.0	-75.75	398.69	1.66	-74.09
C[N@H+](CCO)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136869	0	52	0.0	-74.88	417.95	-1.10	-75.98
C[N@@H+](CCO)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136869	1	52	0.0	-74.88	417.95	-1.10	-75.98
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136884	0	55	0.0	-77.44	426.80	3.10	-74.34
C[N@H+]1CCCCC1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136884	1	55	0.0	-77.44	426.80	3.10	-74.34
CC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300025136894	0	52	0.0	-70.97	416.49	2.62	-68.35
CC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025136894	1	52	0.0	-70.97	416.49	2.62	-68.35
CC1CCN1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136896	0	49	0.0	-72.87	398.90	2.01	-70.86
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136896	1	49	0.0	-71.31	393.29	1.71	-69.60
CC1CC[N@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136896	1	49	0.0	-71.31	393.29	1.71	-69.60
C[NH+](C)CC=CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136902	0	49	0.0	-78.95	403.50	2.15	-76.80
O=C(C[N@H+]1CCCC1CO)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136941	0	53	0.0	-73.22	420.78	-0.46	-73.68
CC[NH+](CC)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136943	0	51	0.0	-71.73	399.13	2.00	-69.73
O=C(CN1CCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136952	0	46	0.0	-73.77	377.86	1.44	-72.33
O=C(C[NH+]1CCC1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136952	1	46	0.0	-73.77	377.86	1.44	-72.33
CC[NH+](CC)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136980	0	54	0.0	-74.81	425.64	2.82	-71.99
CC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300025137030	0	49	0.0	-71.19	395.75	2.00	-69.19
CC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025137030	1	49	0.0	-71.19	395.75	2.00	-69.19
CCC(CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025137035	0	57	0.0	-77.29	438.89	3.40	-73.89
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137040	0	54	0.0	-70.10	415.12	2.63	-67.47
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137069	0	52	0.0	-70.86	409.50	2.52	-68.34
C[NH+](C)CC(O)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137088	0	52	0.0	-80.16	420.11	-0.08	-80.24
C=CCC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025137108	0	52	0.0	-68.93	410.60	2.38	-66.55
C[NH+]1CCC(C)(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025137119	0	55	0.0	-74.36	424.80	2.99	-71.37
NC(=[NH2+])SCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137140	0	43	0.0	-78.81	376.07	-2.22	-81.03
C[NH+](C)CCC1(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025137163	0	55	0.0	-73.44	437.62	3.11	-70.33
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137164	0	53	0.0	-66.22	413.76	2.86	-63.36
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137164	1	53	0.0	-77.55	418.70	2.92	-74.63
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137250	0	49	0.0	-71.70	386.16	1.35	-70.35
CC1C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025137272	0	52	0.0	-74.00	405.18	2.32	-71.68
CC1C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025137272	1	52	0.0	-74.00	405.18	2.32	-71.68
CN1CCOCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137300	0	53	0.0	-81.36	418.09	0.67	-80.69
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137300	1	53	0.0	-80.76	418.12	0.67	-80.09
C[N@H+]1CCOCC1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137300	1	53	0.0	-80.76	418.12	0.67	-80.09
CC1CN(C(=O)C2CCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137512	0	49	0.0	-61.95	396.17	1.44	-60.51
CC1CN(C(=O)C2CN(C)CCO2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137536	0	50	0.0	-68.65	399.68	0.81	-67.84
CC1CN(C(=O)C2C[N@H+](C)CCO2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137536	1	50	0.0	-74.48	403.21	1.28	-73.20
CC1CN(C(=O)C2C[N@@H+](C)CCO2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137536	1	50	0.0	-74.48	403.21	1.28	-73.20
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137680	0	55	0.0	-60.40	429.83	2.59	-57.81
CC(C)[N@H+]1CCCC1C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137680	1	55	0.0	-60.40	429.83	2.59	-57.81
CC1=NC=CN1CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137703	0	47	0.0	-62.80	403.22	2.28	-60.52
CC1=[NH+]C=CN1CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137703	1	47	0.0	-62.80	403.22	2.28	-60.52
CC1CN(C(=O)C2C[NH+]3CCC2CC3)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137723	0	53	0.0	-71.24	408.52	2.56	-68.68
CC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137751	0	52	0.0	-65.02	416.07	1.83	-63.19
CC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137751	1	52	0.0	-65.02	416.07	1.83	-63.19
CC[C@@H]1[C@@H](C(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025137753	0	55	0.0	-63.26	427.23	3.01	-60.25
CC[C@@H]1[C@@H](C(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025137753	1	55	0.0	-63.26	427.23	3.01	-60.25
CCN1CCOC(C(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025137758	0	53	0.0	-69.04	421.60	2.02	-67.02
CC[N@@H+]1CCOC(C(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025137758	1	53	0.0	-72.62	420.98	1.92	-70.70
CC[N@H+]1CCOC(C(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025137758	1	53	0.0	-72.62	420.98	1.92	-70.70
CC1CN(C(=O)C[NH+]2C(C)CCC2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137803	0	55	0.0	-60.71	431.73	2.59	-58.12
CC1CN(C(=O)CCC[NH+]2CCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137805	0	55	0.0	-67.21	443.66	3.24	-63.97
CC1CN(C(=O)CC[NH+]2CCCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137808	0	55	0.0	-66.16	438.69	3.16	-63.00
CC[N@@H+]1CCCCC1C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137811	0	55	0.0	-62.27	423.96	2.55	-59.72
CC[N@H+]1CCCCC1C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137811	1	55	0.0	-62.27	423.96	2.55	-59.72
CC1CN(C(=O)C2([NH+](C)C)CCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137821	0	52	0.0	-61.55	401.97	1.49	-60.06
CC(C)[C@@H](C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025137827	0	54	0.0	-62.04	417.23	2.30	-59.74
CC1CN(C(=O)C[N@H+](C)C2CCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137845	0	52	0.0	-62.52	420.06	2.63	-59.89
CC1CN(C(=O)C[N@@H+](C)C2CCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137845	1	52	0.0	-62.52	420.06	2.63	-59.89
C#CCN1CCC[C@H]1C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137899	0	51	0.0	-61.67	419.89	2.43	-59.24
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137899	1	51	0.0	-62.82	418.81	3.14	-59.68
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025137899	1	51	0.0	-62.82	418.81	3.14	-59.68
CC1CN(C(=O)CCC2CCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137904	0	55	0.0	-66.92	442.08	3.23	-63.69
CC1CN(C(=O)CCC2CCC[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137904	1	55	0.0	-66.92	442.08	3.23	-63.69
CC1CN(C(=O)C2CC[NH+](C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137920	0	52	0.0	-69.09	414.19	2.03	-67.06
CC1CN(C(=O)C2CCCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025137947	0	52	0.0	-62.79	411.92	2.58	-60.21
CC1CN(C(=O)CCN2CCOCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138000	0	53	0.0	-69.43	429.96	0.73	-68.70
CC1CN(C(=O)CC[NH+]2CCOCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138000	1	53	0.0	-69.43	429.96	0.73	-68.70
CC1=CN=CN1CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138012	0	47	0.0	-66.17	403.58	3.01	-63.16
CC1=C[NH+]=CN1CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138012	1	47	0.0	-66.17	403.58	3.01	-63.16
CC1CN(C(=O)C23CCC[NH+]2CCC3)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138028	0	53	0.0	-59.32	407.77	2.34	-56.98
CC1CN(C(=O)CC2CC[N@H+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138033	0	52	0.0	-68.23	420.59	2.30	-65.93
CC1CN(C(=O)CC2CC[N@@H+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138033	1	52	0.0	-68.23	420.59	2.30	-65.93
CCC(C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025138039	0	51	0.0	-62.43	400.10	1.49	-60.94
CC1CN(C(=O)CCCC[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138086	0	54	0.0	-68.90	440.05	2.86	-66.04
CC(C)C(C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025138097	0	54	0.0	-63.16	417.34	2.24	-60.92
CCC[N@H+](C)CCC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138098	0	54	0.0	-67.59	435.42	2.68	-64.91
CCC[N@@H+](C)CCC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138098	1	54	0.0	-67.59	435.42	2.68	-64.91
CCC[N@H+](C)CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138101	0	51	0.0	-65.28	413.05	2.09	-63.19
CCC[N@@H+](C)CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138101	1	51	0.0	-65.28	413.05	2.09	-63.19
CC1CN(C(=O)C23CC[N@H+](C2)CCC3)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138114	0	53	0.0	-63.38	402.31	1.78	-61.60
CC1CN(C(=O)C23CC[N@@H+](C2)CCC3)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138114	1	53	0.0	-63.38	402.31	1.78	-61.60
CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138136	0	49	0.0	-64.63	389.74	1.49	-63.14
CC[NH+](CC)CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138163	0	51	0.0	-63.22	409.51	2.00	-61.22
CC1CN(C(=O)C[NH+]2CCC(C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138216	0	55	0.0	-63.91	436.56	3.13	-60.78
CC1CN(C(=O)C2(C[NH+](C)C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138234	0	52	0.0	-62.51	422.80	2.23	-60.28
CC1CN(C(=O)C2CC[NH+](C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138280	0	52	0.0	-69.09	414.19	2.03	-67.06
CC(C)[C@H](C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025138295	0	54	0.0	-62.17	417.63	2.19	-59.98
CCC(C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025138322	0	57	0.0	-59.38	435.74	2.80	-56.58
CC[N@H+](C)CCC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138352	0	51	0.0	-67.16	413.92	1.91	-65.25
CC[N@@H+](C)CCC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138352	1	51	0.0	-66.34	414.07	1.87	-64.47
CC1CN(C(=O)C[N@@H+]2CCCC2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138375	0	52	0.0	-61.49	412.47	2.01	-59.48
CC1CN(C(=O)C[N@H+]2CCCC2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138375	1	52	0.0	-61.53	413.41	2.08	-59.45
CC1CC[N@H+](CC(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025138376	0	52	0.0	-64.23	420.91	2.36	-61.87
CC1CC[N@@H+](CC(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025138376	1	52	0.0	-64.14	419.90	2.40	-61.74
CC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138378	0	55	0.0	-63.42	436.04	3.26	-60.16
CC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138378	1	55	0.0	-63.66	440.31	2.96	-60.70
CC1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138379	0	57	0.0	-64.14	443.92	3.22	-60.92
CC1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138379	1	57	0.0	-64.39	443.45	3.17	-61.22
CC[C@@H](C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025138386	0	51	0.0	-61.82	401.53	1.50	-60.32
CC1CN(C(=O)C[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138458	0	45	0.0	-65.85	374.69	0.70	-65.15
CC1CN(C(=O)C[NH+]2CCCCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138461	0	55	0.0	-64.06	424.79	2.73	-61.33
CC1CN(C(=O)C[N+]2=CN(C)C=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138464	0	47	0.0	-63.55	405.06	4.18	-59.37
CC1CN(C(=O)C2CCC[N@H+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138468	0	52	0.0	-66.68	413.91	1.99	-64.69
CC1CN(C(=O)C2CCC[N@@H+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138468	1	52	0.0	-77.94	418.28	2.19	-75.75
CC1CN(C(=O)C2CCC[N@@H+]2C2CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138473	0	53	0.0	-58.25	421.58	2.91	-55.34
CC1CN(C(=O)C2CCC[N@H+]2C2CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138473	1	53	0.0	-61.12	425.73	2.63	-58.49
CC(C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025138485	1	49	0.0	-72.56	402.54	1.52	-71.04
CCC(CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025138489	0	57	0.0	-70.08	449.52	3.35	-66.73
CC1CN(C(=O)C(C)(C)C[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138494	0	54	0.0	-66.13	414.36	1.87	-64.26
CC1CN(C(=O)C[NH+]2CCC(O)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138505	1	53	0.0	-68.34	427.33	-0.80	-69.14
CC1CN(C(=O)C[N@H+](C)C2CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138506	0	49	0.0	-62.94	404.11	2.12	-60.82
CC1CN(C(=O)C[N@@H+](C)C2CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138506	1	49	0.0	-62.54	403.97	2.11	-60.43
CC1CN(C(=O)CC2C[NH+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138520	0	49	0.0	-67.68	406.12	1.54	-66.14
CC1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138530	0	55	0.0	-62.04	432.63	2.79	-59.25
CC1CN(C(=O)C2CC[N@H+]2C(C)(C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138530	1	55	0.0	-60.62	420.35	1.37	-59.25
C[C@@H](C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025138540	0	48	0.0	-62.20	386.97	1.31	-60.89
CC1CN(C(=O)CN=[N+]=[N-])CC1NC(=O)CSC1=NC(=O)NN1	REAL300025138547	0	39	0.0	-23.29	351.65	-3.71	-27.00
CC1CN(C(=O)CN2C=CSC2=[NH2+])CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138589	0	45	0.0	-61.56	400.90	0.85	-60.71
CC1CN(C(=O)CC[N@H+](C)CCO)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138594	0	52	0.0	-66.84	424.27	-1.29	-68.13
CC1CN(C(=O)CC[N@@H+](C)CCO)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138594	1	52	0.0	-65.91	424.40	-1.34	-67.25
C[C@@H](C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025138595	0	48	0.0	-62.20	386.97	1.31	-60.89
CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138598	0	52	0.0	-59.38	410.87	2.56	-56.82
CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138598	1	52	0.0	-65.78	403.50	2.26	-63.52
CC1CN(C(=O)C[NH+]2CCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138643	1	46	0.0	-65.05	384.86	1.12	-63.93
CC1CN(C(=O)C=C2CC[N@H+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138657	0	50	0.0	-70.89	411.85	2.30	-68.59
CC1CN(C(=O)C=C2CC[N@@H+](C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138657	1	50	0.0	-70.99	410.78	2.20	-68.79
CC1CN(C(=O)COCC[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138677	0	52	0.0	-66.93	430.56	1.82	-65.11
C=CCC(C)(C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025138688	0	55	0.0	-61.06	419.77	2.31	-58.75
CC1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138705	0	53	0.0	-63.87	416.05	-1.78	-65.65
CC1CN(CC(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025138722	0	49	0.0	-64.53	401.45	2.20	-62.33
CC1C[NH+](CC(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025138722	1	49	0.0	-64.53	401.45	2.20	-62.33
CC1CN(C(=O)CN(C)CCO)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138739	0	49	0.0	-66.10	401.91	-1.90	-68.00
CC1CN(C(=O)C[N@H+](C)CCO)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138739	1	49	0.0	-65.11	401.69	-1.89	-67.00
CC1CN(C(=O)C[N@@H+](C)CCO)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138739	1	49	0.0	-65.11	401.69	-1.89	-67.00
CC[N@@H+]1CCCC(C(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025138758	0	55	0.0	-65.67	426.70	2.78	-62.89
CC[N@H+]1CCCC(C(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025138758	1	55	0.0	-65.67	426.70	2.78	-62.89
CC(CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025138760	0	54	0.0	-70.36	430.95	2.69	-67.67
CC[N@H+](C)CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138763	0	48	0.0	-64.91	391.56	1.35	-63.56
CC[N@H+](CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025138787	0	52	0.0	-61.61	420.33	2.61	-59.00
CC[NH+](CC)CCC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138795	0	54	0.0	-66.11	428.29	2.37	-63.74
CC1CN(C(=O)CN2CC(C)(C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138809	0	52	0.0	-64.65	424.38	2.27	-62.38
CC1CN(C(=O)C[NH+]2CC(C)(C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138809	1	52	0.0	-64.65	424.38	2.27	-62.38
CC1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138825	0	53	0.0	-64.47	427.16	-0.55	-65.02
CC1CN(C(=O)C=CC[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138828	0	49	0.0	-70.57	411.17	1.93	-68.64
COCCN(C)CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138841	0	52	0.0	-64.80	423.94	0.51	-64.29
COCC[N@H+](C)CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138841	1	52	0.0	-66.04	424.16	0.51	-65.53
COCC[N@@H+](C)CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138841	1	52	0.0	-66.04	424.16	0.51	-65.53
CC1CN(C(=O)C2([NH+](C)C)CCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138858	0	55	0.0	-65.05	414.43	2.95	-62.10
CC(CCC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025138860	0	54	0.0	-67.40	428.03	2.46	-64.94
CCN1CCC1C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138866	0	49	0.0	-63.20	394.27	1.70	-61.50
CC[N@@H+]1CCC1C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138866	1	49	0.0	-61.78	394.47	1.70	-60.08
CC[N@H+]1CCC1C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025138866	1	49	0.0	-61.78	394.47	1.70	-60.08
CC1CN(C(=O)C[N@@H+]2CCCC2CO)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138876	0	53	0.0	-62.38	428.67	-0.82	-63.20
CC1CN(C(=O)C2(C)CC[NH+](C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138892	0	55	0.0	-64.25	421.26	2.20	-62.05
C=CCC(C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025138908	0	52	0.0	-62.93	417.80	2.22	-60.71
CC1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138915	0	55	0.0	-61.70	432.11	2.29	-59.41
CC1CN(C(=O)C2CC(C)(C)C[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138915	1	55	0.0	-61.70	432.11	2.29	-59.41
CC1CN(C(=O)CCCCC[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138917	0	57	0.0	-69.01	461.55	3.65	-65.36
CCCC(C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025138934	0	54	0.0	-63.63	425.31	2.46	-61.17
CC1CN(C(=O)C(C)(C)[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138937	0	51	0.0	-64.03	393.41	1.22	-62.81
CC1CN(C(=O)C2CCCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138960	0	52	0.0	-62.79	411.92	2.58	-60.21
CC1CN(C(=O)CC2=CC[N@H+](C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138979	0	53	0.0	-66.27	430.35	3.40	-62.87
CC1CN(C(=O)CC2=CC[N@@H+](C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138979	1	53	0.0	-66.27	430.35	3.40	-62.87
CC1CN(C(=O)C=CC[NH+]2CCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139009	0	53	0.0	-69.14	436.25	3.10	-66.04
CC1CN(C(=O)CC[NH+]2CCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139036	0	52	0.0	-66.31	423.02	2.45	-63.86
CC1CN(C(=O)C23CC(C2)C[N@@H+]3C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139061	0	50	0.0	-65.57	398.34	2.27	-63.30
CC1CN(C(=O)C[N@@H+]2CC3CCC2C3)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139066	0	53	0.0	-62.05	415.00	2.99	-59.06
CC1CN(C(=O)C[N@H+]2CC3CCC2C3)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139066	1	53	0.0	-62.05	415.00	2.99	-59.06
CC1CN(C(=O)CN2CC3C=CC2C3)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139101	0	51	0.0	-60.59	409.46	2.89	-57.70
CC1CN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139101	1	51	0.0	-63.19	414.09	2.72	-60.47
CC1CN(C(=O)C[N@H+]2CC3C=CC2C3)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139101	1	51	0.0	-63.19	414.09	2.72	-60.47
CC(C[NH+](C)C)C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025139131	0	51	0.0	-67.32	412.45	1.82	-65.50
CC1CN(C(=O)CC2CCCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139170	0	55	0.0	-66.12	429.26	3.21	-62.91
CC1CN(C(=O)CC2CCCC[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139170	1	55	0.0	-66.04	433.40	2.85	-63.19
CC(C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025139179	0	52	0.0	-61.99	418.75	2.02	-59.97
CC1CC[N@@H+]1CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025139181	1	49	0.0	-61.58	396.16	1.82	-59.76
CC1CC[N@H+]1CC(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025139181	1	49	0.0	-64.28	402.54	2.15	-62.13
CC1CN(C(=O)CC(O)C[NH+](C)C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139183	0	52	0.0	-70.77	427.39	-0.26	-71.03
CC1CN(C(=O)C2C[N@H+](C)CC(C)O2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139200	1	53	0.0	-74.62	427.75	1.65	-72.97
CC1CN(C(=O)C2C[N@@H+](C)CC(C)O2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139200	1	53	0.0	-64.97	417.73	1.90	-63.07
CC1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139238	0	52	0.0	-68.60	420.85	2.79	-65.81
CC(CC[NH+](C)C)C(=O)N1CC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025139242	0	54	0.0	-68.63	434.08	2.44	-66.19
CC1CN(C(=O)CN2CC[NH+](C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139257	1	54	0.0	-68.39	432.79	0.14	-68.25
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCC[N@@H+]1C	REAL300025139427	0	49	0.0	-68.17	396.97	2.11	-66.06
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCC[N@H+]1C	REAL300025139427	1	49	0.0	-66.87	396.90	2.07	-64.80
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1C[N@H+](C)CCO1	REAL300025139453	1	50	0.0	-80.39	412.06	1.22	-79.17
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1C[N@@H+](C)CCO1	REAL300025139453	1	50	0.0	-74.88	404.12	0.97	-73.91
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC[NH+]1CCOCC1	REAL300025139601	1	53	0.0	-75.01	426.49	1.09	-73.92
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C12CCC[NH+]1CCC2	REAL300025139609	0	53	0.0	-74.56	416.91	2.51	-72.05
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1CC[N@H+](C)C1	REAL300025139632	0	52	0.0	-72.12	417.36	2.73	-69.39
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1CC[N@@H+](C)C1	REAL300025139632	1	52	0.0	-70.61	416.90	2.66	-67.95
CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025139638	0	51	0.0	-63.95	403.00	2.22	-61.73
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CCCC[NH+](C)C	REAL300025139670	0	54	0.0	-74.92	439.19	2.86	-72.06
CC(C)C(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025139683	0	54	0.0	-70.02	421.25	2.95	-67.07
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025139684	0	54	0.0	-75.33	435.37	2.66	-72.67
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025139684	1	54	0.0	-73.53	436.28	2.71	-70.82
CCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025139687	0	51	0.0	-71.23	410.31	2.55	-68.68
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025139687	1	51	0.0	-73.55	413.00	2.11	-71.44
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C12CC[N@H+](C1)CCC2	REAL300025139700	0	53	0.0	-78.94	412.36	2.25	-76.69
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300025139700	1	53	0.0	-75.10	416.18	1.94	-73.16
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[NH+]1CCC(C)CC1	REAL300025139725	0	55	0.0	-74.36	436.56	3.18	-71.18
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1(C[NH+](C)C)CC1	REAL300025139762	0	52	0.0	-70.64	426.49	2.43	-68.21
CC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025139779	0	51	0.0	-74.58	414.07	1.91	-72.67
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025139779	1	51	0.0	-72.75	414.78	1.96	-70.79
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1C[NH+]2CCC1CC2	REAL300025139791	0	53	0.0	-76.08	411.47	2.81	-73.27
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CC[NH+](C)CC1	REAL300025139829	0	52	0.0	-78.15	418.36	2.35	-75.80
CC(C)[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025139844	0	54	0.0	-72.07	420.95	2.97	-69.10
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1([NH+](C)C)CCC1	REAL300025139907	0	52	0.0	-69.04	407.94	2.36	-66.68
CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](CC)CC	REAL300025139934	0	57	0.0	-66.75	440.09	3.10	-63.65
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@@H+]1CCCC1C	REAL300025139943	0	52	0.0	-67.95	409.72	2.53	-65.42
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@H+]1CCCC1C	REAL300025139943	1	52	0.0	-68.16	416.57	2.86	-65.30
CC(C)[N@@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025139970	0	55	0.0	-70.68	421.96	2.69	-67.99
CC(C)[N@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025139970	1	55	0.0	-69.77	421.16	3.19	-66.58
CC(C)[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025139977	0	54	0.0	-66.50	416.69	2.68	-63.82
CC1CC[N@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025139987	0	52	0.0	-70.17	417.22	2.82	-67.35
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025139987	1	52	0.0	-70.57	416.61	2.86	-67.71
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025139989	0	55	0.0	-73.11	438.68	2.93	-70.18
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300025139989	1	55	0.0	-72.90	438.73	2.96	-69.94
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300025139990	0	57	0.0	-70.49	441.22	3.72	-66.77
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300025139990	1	57	0.0	-73.95	441.60	3.11	-70.84
CC[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025139997	0	51	0.0	-66.99	401.31	2.17	-64.82
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140077	1	47	0.0	-69.86	403.25	2.34	-67.52
CC[N@@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025140120	1	53	0.0	-82.48	428.93	1.79	-80.69
CC[N@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025140120	1	53	0.0	-84.79	429.12	1.79	-83.00
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140140	1	47	0.0	-71.00	399.93	3.39	-67.61
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025140145	0	52	0.0	-75.90	410.35	1.68	-74.22
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025140145	1	52	0.0	-74.73	416.61	1.96	-72.77
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@@H+]1C	REAL300025140147	0	55	0.0	-70.25	428.63	2.77	-67.48
CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@H+]1C	REAL300025140147	1	55	0.0	-74.57	439.59	2.95	-71.62
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[NH+]1C(C)CCC1C	REAL300025140152	0	55	0.0	-69.74	430.92	2.62	-67.12
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CCC[NH+]1CCCC1	REAL300025140154	0	55	0.0	-73.24	443.60	3.24	-70.00
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC[NH+]1CCCCC1	REAL300025140158	0	55	0.0	-73.97	437.83	3.15	-70.82
CC[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140161	0	55	0.0	-68.27	421.51	3.16	-65.11
CC[N@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140161	1	55	0.0	-68.62	434.47	3.02	-65.60
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@H+](C)C1CCC1	REAL300025140241	0	52	0.0	-70.31	420.91	2.76	-67.55
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@@H+](C)C1CCC1	REAL300025140241	1	52	0.0	-71.64	419.92	2.71	-68.93
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CC[NH+](C)CC1	REAL300025140265	0	52	0.0	-78.15	418.36	2.35	-75.80
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300025140287	0	49	0.0	-65.07	396.71	2.04	-63.03
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@H]1CCC[N@H+]1C	REAL300025140287	1	49	0.0	-72.30	394.66	1.30	-71.00
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140304	1	51	0.0	-72.34	420.46	2.45	-69.89
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140304	1	51	0.0	-69.17	427.04	3.06	-66.11
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CCC1CCC[N@@H+]1C	REAL300025140309	0	55	0.0	-72.02	435.79	2.71	-69.31
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CCC1CCC[N@H+]1C	REAL300025140309	1	55	0.0	-71.83	438.66	3.59	-68.24
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCCC[N@@H+]1C	REAL300025140372	0	52	0.0	-71.04	415.65	2.30	-68.74
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCCC[N@H+]1C	REAL300025140372	1	52	0.0	-70.95	415.82	2.29	-68.66
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CC[N@H+](C)C1C	REAL300025140421	0	52	0.0	-72.71	414.94	1.89	-70.82
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CC[N@@H+](C)C1C	REAL300025140421	1	52	0.0	-73.24	408.75	2.32	-70.92
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025140471	0	55	0.0	-70.36	435.42	2.42	-67.94
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300025140471	1	55	0.0	-67.58	418.27	1.78	-65.80
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025140484	0	48	0.0	-70.91	392.76	1.18	-69.73
C=CCC(C)(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025140496	0	55	0.0	-67.55	430.15	2.76	-64.79
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC[NH+]1CCCC1	REAL300025140508	0	52	0.0	-74.92	420.50	2.32	-72.60
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@H+](C)CCO	REAL300025140516	1	49	0.0	-72.16	399.30	-1.48	-73.64
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@@H+](C)CCO	REAL300025140516	1	49	0.0	-74.26	401.69	-1.85	-76.11
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1=CC[N@H+](C)CC1	REAL300025140562	0	53	0.0	-70.35	433.00	3.02	-67.33
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1=CC[N@@H+](C)CC1	REAL300025140562	1	53	0.0	-68.07	433.80	3.10	-64.97
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300025140580	0	53	0.0	-83.25	421.37	-0.90	-84.15
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300025140580	1	53	0.0	-78.20	422.37	-1.00	-79.20
CC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025140606	1	49	0.0	-71.69	401.30	2.24	-69.45
CC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025140612	0	55	0.0	-65.33	427.14	3.56	-61.77
CC[N@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025140612	1	55	0.0	-69.67	436.95	3.03	-66.64
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300025140623	0	53	0.0	-62.16	427.84	3.57	-58.59
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCC[N@H+]1C1CC1	REAL300025140623	1	53	0.0	-66.00	423.46	3.49	-62.51
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C=CC[NH+]1CCCC1	REAL300025140644	0	53	0.0	-76.00	436.27	3.10	-72.90
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140681	0	48	0.0	-70.66	388.81	1.82	-68.84
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CN1CC2C=CC1C2	REAL300025140710	0	51	0.0	-62.99	409.39	2.87	-60.12
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300025140710	1	51	0.0	-72.24	412.97	2.66	-69.58
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@H+]1CC2C=CC1C2	REAL300025140710	1	51	0.0	-72.24	412.97	2.66	-69.58
COCCN(C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140785	0	52	0.0	-74.28	423.94	0.56	-73.72
COCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140785	1	52	0.0	-71.12	421.42	0.98	-70.14
COCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140785	1	52	0.0	-71.12	421.42	0.98	-70.14
CC(CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025140788	0	54	0.0	-76.61	427.47	2.45	-74.16
CC[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300025140801	0	52	0.0	-70.87	420.33	2.68	-68.19
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300025140826	0	50	0.0	-72.22	402.43	2.27	-69.95
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300025140833	0	53	0.0	-69.44	417.70	3.21	-66.23
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140846	0	51	0.0	-73.80	412.29	2.00	-71.80
CCN1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140874	0	49	0.0	-70.07	402.72	2.12	-67.95
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140874	1	49	0.0	-72.42	405.47	1.71	-70.71
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140874	1	49	0.0	-72.42	405.47	1.71	-70.71
CCC(C)(C)[NH2+]C(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140880	0	57	0.0	-69.83	439.21	1.31	-68.52
CCCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025140910	0	54	0.0	-64.33	424.49	2.98	-61.35
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C(C)(C)[NH+](C)C	REAL300025140914	0	51	0.0	-78.23	401.96	1.88	-76.35
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025140927	0	54	0.0	-73.20	433.86	2.59	-70.61
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025140975	0	55	0.0	-66.51	437.03	3.24	-63.27
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CCCCC[NH+](C)C	REAL300025140977	0	57	0.0	-73.90	460.69	3.64	-70.26
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CN1CCN(C)CC1	REAL300025140984	0	54	0.0	-71.13	433.18	0.22	-70.91
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CN1CC[NH+](C)CC1	REAL300025140984	1	54	0.0	-71.13	433.18	0.22	-70.91
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CN(C)CC(C)O1	REAL300025141025	0	53	0.0	-81.10	425.14	1.73	-79.37
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300025141025	1	53	0.0	-84.13	422.42	1.90	-82.23
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300025141025	1	53	0.0	-84.13	422.42	1.90	-82.23
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCCC[N@@H+]1C	REAL300025141069	0	52	0.0	-70.95	415.82	2.29	-68.66
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C=C1CC[N@H+](C)C1	REAL300025141127	0	50	0.0	-75.58	412.58	2.25	-73.33
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C=C1CC[N@@H+](C)C1	REAL300025141127	1	50	0.0	-75.58	412.58	2.25	-73.33
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CNC1=CC=[NH+]C=C1	REAL300025141129	0	48	0.0	-72.96	409.54	-0.01	-72.97
CC1CN(C(=O)CSC2=NC(=O)NN2)CC1NC(=O)CN=[N+]=[N-]	REAL300025141152	0	39	0.0	-24.58	350.79	-3.68	-28.26
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1([NH+](C)C)CCCC1	REAL300025141179	0	55	0.0	-79.08	424.66	3.13	-75.95
CCC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025141186	1	52	0.0	-71.74	423.73	3.00	-68.74
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025141195	0	49	0.0	-71.51	393.78	1.24	-70.27
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300025141195	1	49	0.0	-68.28	397.52	2.15	-66.13
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025141273	0	52	0.0	-68.47	420.81	2.82	-65.65
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1(CC[NH+](C)C)CC1	REAL300025141281	0	55	0.0	-76.07	446.70	3.56	-72.51
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1CC=CC[N@@H+]1C	REAL300025141282	0	53	0.0	-72.91	422.35	3.13	-69.78
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1CC=CC[N@H+]1C	REAL300025141282	1	53	0.0	-77.61	425.07	2.74	-74.87
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)COCC[NH+](C)C	REAL300025141310	0	52	0.0	-72.92	429.69	1.78	-71.14
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CN1C=CSC1=[NH2+]	REAL300025141334	0	45	0.0	-65.66	398.29	1.26	-64.40
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCC[N@H+](C)C1	REAL300025141390	0	52	0.0	-67.06	414.94	2.68	-64.38
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1CCC[N@@H+](C)C1	REAL300025141390	1	52	0.0	-67.06	414.94	2.68	-64.38
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[NH+]1CCCCCC1	REAL300025141391	0	55	0.0	-71.34	422.05	3.19	-68.15
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N+]1=CN(C)C=C1	REAL300025141394	0	47	0.0	-70.00	405.20	4.20	-65.80
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CN1CCC(O)CC1	REAL300025141413	0	53	0.0	-78.82	426.80	-0.79	-79.61
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[NH+]1CCC(O)CC1	REAL300025141413	1	53	0.0	-78.82	426.80	-0.79	-79.61
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@H+](C)C1CC1	REAL300025141414	0	49	0.0	-70.64	403.09	2.13	-68.51
CC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300025141432	0	54	0.0	-74.63	431.01	2.72	-71.91
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1COCCN1C	REAL300025141449	0	53	0.0	-76.08	421.80	0.89	-75.19
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1COCC[N@@H+]1C	REAL300025141449	1	53	0.0	-69.86	414.21	0.82	-69.04
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1COCC[N@H+]1C	REAL300025141449	1	53	0.0	-69.86	414.21	0.82	-69.04
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300025141510	0	53	0.0	-70.58	427.14	-0.47	-71.05
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1C[NH+](C)C1	REAL300025141531	0	49	0.0	-72.19	402.67	1.91	-70.28
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC[N@H+](C)CCO	REAL300025141554	0	52	0.0	-74.02	424.40	-1.33	-75.35
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC[N@@H+](C)CCO	REAL300025141554	1	52	0.0	-74.02	424.40	-1.33	-75.35
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1CCCC[N@@H+]1C	REAL300025141569	0	55	0.0	-72.28	430.39	3.30	-68.98
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1CCCC[N@H+]1C	REAL300025141569	1	55	0.0	-72.28	430.39	3.30	-68.98
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)N1CC(C)C1	REAL300025141579	0	52	0.0	-71.16	421.35	2.43	-68.73
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CC(C)C1	REAL300025141579	1	52	0.0	-71.16	421.35	2.43	-68.73
CC1CCN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025141581	0	49	0.0	-70.92	406.06	1.84	-69.08
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025141581	1	49	0.0	-65.16	401.68	2.09	-63.07
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025141581	1	49	0.0	-65.16	401.68	2.09	-63.07
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C=CC[NH+](C)C	REAL300025141587	0	49	0.0	-71.90	407.61	2.32	-69.58
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C[N@@H+]1CCCC1CO	REAL300025141626	0	53	0.0	-69.85	425.87	-0.30	-70.15
CC[NH+](CC)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025141628	0	51	0.0	-71.70	405.42	1.81	-69.89
CC[NH+](CC)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025141665	0	54	0.0	-74.30	427.42	2.37	-71.93
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)N1CCC1	REAL300025141715	0	49	0.0	-71.08	401.98	1.77	-69.31
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CCC1	REAL300025141715	1	49	0.0	-71.08	401.98	1.77	-69.31
CCC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300025141720	0	57	0.0	-77.91	448.66	3.34	-74.57
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C(C)(C)C[NH+](C)C	REAL300025141725	0	54	0.0	-72.68	423.67	2.45	-70.23
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025141754	0	52	0.0	-71.40	406.45	2.13	-69.27
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC(O)C[NH+](C)C	REAL300025141773	0	52	0.0	-77.54	426.44	-0.24	-77.78
C=CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025141793	0	52	0.0	-63.91	417.00	2.74	-61.17
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1(C)CC[NH+](C)CC1	REAL300025141804	0	55	0.0	-74.76	431.88	2.80	-71.96
CC1CN(C(=O)CSC(N)=[NH2+])CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141825	0	43	0.0	-66.26	382.61	-2.31	-68.57
CC1CN(C(=O)C2(CC[NH+](C)C)CC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141848	0	55	0.0	-64.29	446.50	3.07	-61.22
CC1CN(C(=O)CC2CC=CC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141849	0	53	0.0	-67.53	425.35	2.76	-64.77
CC1CN(C(=O)CC2CC=CC[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141849	1	53	0.0	-67.53	425.35	2.76	-64.77
CCC1C[NH+](CC(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025141930	0	52	0.0	-65.39	423.64	2.83	-62.56
CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141935	1	49	0.0	-62.84	394.92	1.50	-61.34
CC1CN(C(=O)C[NH+]2CCCCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141952	0	52	0.0	-62.25	412.07	2.82	-59.43
CC1CN(C(=O)C2CC[N@H+](C)C2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141957	0	52	0.0	-65.96	415.42	2.06	-63.90
CC1CN(C(=O)C2CC[N@@H+](C)C2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141957	1	52	0.0	-66.11	413.05	1.74	-64.37
CC1CN(C(=O)CC2COCCN2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141985	0	53	0.0	-64.51	416.93	0.38	-64.13
CC1CN(C(=O)CC2COCC[N@@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141985	1	53	0.0	-61.78	416.96	0.34	-61.44
CC1CN(C(=O)CC2COCC[N@H+]2C)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141985	1	53	0.0	-64.51	416.93	0.38	-64.13
CCOCC(N=[N+]=[N-])C(=O)N1CC(C)C(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025141992	0	49	0.0	-24.06	424.41	-3.16	-27.22
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142137	1	55	0.0	-68.36	424.83	3.52	-64.84
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300025142237	0	57	0.0	-68.81	429.03	3.61	-65.20
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142242	0	57	0.0	-72.22	438.36	3.98	-68.24
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142242	1	57	0.0	-72.22	438.36	3.99	-68.23
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142250	0	55	0.0	-70.36	419.12	3.12	-67.24
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142250	1	55	0.0	-68.16	425.61	3.56	-64.60
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142255	0	57	0.0	-70.49	430.76	3.65	-66.84
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142311	0	57	0.0	-72.94	439.22	3.77	-69.17
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142311	1	57	0.0	-72.87	439.22	3.77	-69.10
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300025142314	0	57	0.0	-69.49	429.36	3.58	-65.91
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142332	0	51	0.0	-72.41	399.17	2.56	-69.85
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+]1CCC1	REAL300025142336	1	55	0.0	-69.22	427.04	3.67	-65.55
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CC1	REAL300025142342	0	55	0.0	-69.16	428.39	3.97	-65.19
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)C1CC1	REAL300025142342	1	55	0.0	-69.87	428.53	3.98	-65.89
C[NH+]1CC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300025142348	0	55	0.0	-72.67	430.48	3.38	-69.29
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300025142355	0	54	0.0	-70.01	417.23	2.96	-67.05
CC1(C)CN(C(=O)CSC2=NC(=O)NN2)CCC1NC(=O)CN=[N+]=[N-]	REAL300025142358	0	45	0.0	-22.28	376.13	-1.84	-24.12
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300025142376	0	54	0.0	-70.01	417.23	2.96	-67.05
C[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C)[NH+](C)C	REAL300025142405	0	54	0.0	-70.76	417.26	3.00	-67.76
CC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)C1	REAL300025142411	1	55	0.0	-72.01	430.41	3.66	-68.35
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142428	0	54	0.0	-71.86	416.86	3.24	-68.62
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142428	1	54	0.0	-71.77	416.86	3.24	-68.53
C[NH+](C)CC=CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142444	0	55	0.0	-74.77	436.33	3.82	-70.95
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142450	1	55	0.0	-69.86	423.94	3.30	-66.56
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142450	1	55	0.0	-70.75	430.78	3.58	-67.17
C[NH+](C)C(C)(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142463	0	57	0.0	-73.75	426.60	3.72	-70.03
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)CC1	REAL300025142485	0	55	0.0	-75.20	416.98	3.98	-71.22
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142507	0	57	0.0	-72.47	437.58	3.85	-68.62
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142516	1	55	0.0	-69.69	424.90	3.38	-66.31
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025142516	1	55	0.0	-70.92	430.55	3.63	-67.29
C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142625	0	55	0.0	-68.72	417.58	3.00	-65.72
C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142625	1	55	0.0	-68.18	417.60	3.00	-65.18
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300025142696	0	57	0.0	-68.31	429.88	3.53	-64.78
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142700	0	57	0.0	-70.32	438.35	3.85	-66.47
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142700	1	57	0.0	-70.34	438.38	3.87	-66.47
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142717	0	57	0.0	-71.81	439.27	3.72	-68.09
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142717	1	57	0.0	-71.83	439.27	3.73	-68.10
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300025142757	0	57	0.0	-68.27	428.77	3.42	-64.85
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142803	0	55	0.0	-69.02	416.31	2.93	-66.09
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142803	1	55	0.0	-66.86	420.65	3.24	-63.62
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300025142857	0	54	0.0	-68.20	415.60	2.83	-65.37
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300025142881	1	55	0.0	-70.29	430.48	3.55	-66.74
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142899	0	54	0.0	-69.95	416.84	3.12	-66.83
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142899	1	54	0.0	-70.02	416.88	3.13	-66.89
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142929	0	57	0.0	-71.45	436.70	3.57	-67.88
C[NH+](C)C1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)CC1	REAL300025142932	0	55	0.0	-70.13	421.21	3.04	-67.09
C[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300025142936	0	54	0.0	-67.93	414.66	2.79	-65.14
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142939	1	55	0.0	-68.23	420.88	3.07	-65.16
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142939	1	55	0.0	-68.83	430.31	3.43	-65.40
C[NH+](C)C(C)(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025142947	0	57	0.0	-74.40	414.06	2.88	-71.52
CC1(C)CN(C(=O)CN=[N+]=[N-])CCC1NC(=O)CSC1=NC(=O)NN1	REAL300025142993	0	45	0.0	-22.68	376.13	-1.95	-24.63
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025143006	0	55	0.0	-66.99	421.04	3.31	-63.68
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025143006	1	55	0.0	-68.93	416.51	2.95	-65.98
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CC1	REAL300025143043	0	55	0.0	-67.32	428.43	3.86	-63.46
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)C1CC1	REAL300025143043	1	55	0.0	-67.82	428.57	3.87	-63.95
C[NH+]1CC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)C1	REAL300025143071	0	55	0.0	-71.42	430.46	3.33	-68.09
C[NH+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025143074	0	51	0.0	-70.87	399.17	2.46	-68.41
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+](C)C	REAL300025143077	0	54	0.0	-68.20	415.60	2.83	-65.37
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025143084	1	55	0.0	-69.02	430.43	3.53	-65.49
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025143084	1	55	0.0	-69.05	430.42	3.53	-65.52
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025143085	0	55	0.0	-74.19	435.32	3.73	-70.46
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300025143091	0	57	0.0	-68.40	435.16	3.81	-64.59
CC1(C)CN(C(=O)C[NH+]2CCC2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025143092	1	52	0.0	-70.47	409.46	2.94	-67.53
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1)[NH+]1CCC1	REAL300025143114	1	55	0.0	-68.43	417.61	3.16	-65.27
C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025143182	0	55	0.0	-68.71	425.08	3.58	-65.13
C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300025143182	1	55	0.0	-70.36	419.18	3.12	-67.24
C[NH+](C)CC(=O)N1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025143302	0	51	0.0	-75.05	411.82	0.58	-74.47
C[C@@H](C(=O)N1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025143307	0	54	0.0	-71.74	420.86	0.74	-71.00
[N-]=[N+]=NCC(=O)N1CCN(C2CN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025143310	0	45	0.0	-24.88	388.80	-3.81	-28.69
C[C@@H](C(=O)N1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025143320	0	54	0.0	-71.74	420.86	0.74	-71.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(N2CCN(C(=O)C[NH+]3CCC3)CC2)C1	REAL300025143328	1	52	0.0	-73.49	415.48	0.81	-72.68
C[C@H](C(=O)N1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025143333	0	54	0.0	-71.01	420.49	0.71	-70.30
CC[N@H+](C)CC(=O)N1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025143345	0	54	0.0	-72.95	422.88	1.06	-71.89
CC[N@@H+](C)CC(=O)N1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025143345	1	54	0.0	-73.41	423.28	0.95	-72.46
C[C@@H](C(=O)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025143482	0	54	0.0	-69.06	423.01	0.77	-68.29
CC[N@H+](C)CC(=O)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025143501	0	54	0.0	-69.37	423.29	1.04	-68.33
CC[N@@H+](C)CC(=O)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025143501	1	54	0.0	-69.39	423.29	1.04	-68.35
C[C@H](C(=O)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025143514	0	54	0.0	-67.90	423.51	0.86	-67.04
[N-]=[N+]=NCC(=O)N1CC(N2CCN(C(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025143538	0	45	0.0	-24.75	388.50	-3.65	-28.40
C[NH+](C)CC(=O)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025143565	0	51	0.0	-73.84	411.54	0.75	-73.09
C[C@@H](C(=O)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025143568	0	54	0.0	-69.06	423.01	0.77	-68.29
O=C(C[NH+]1CCC1)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025143575	1	52	0.0	-69.91	415.68	0.94	-68.97
C[N@@H+]1CCCC1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025143704	0	53	0.0	-70.49	417.98	-0.53	-71.02
C[N@H+]1CCCC1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025143704	1	53	0.0	-72.10	411.97	-0.83	-72.93
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025143797	0	53	0.0	-73.20	412.27	-0.80	-74.00
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025143797	1	53	0.0	-70.31	415.60	-0.52	-70.83
C[NH+](C)CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025143872	0	49	0.0	-74.35	393.38	-1.38	-75.73
CC(C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025143876	0	53	0.0	-71.41	421.36	-0.50	-71.91
C[N@H+](CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025143881	0	53	0.0	-70.66	422.66	0.03	-70.63
C[N@@H+](CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025143881	1	53	0.0	-71.37	422.79	0.03	-71.34
C[NH+]1CC(CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025143886	0	53	0.0	-75.26	424.66	-0.51	-75.77
C[C@@H](C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025143893	0	52	0.0	-71.92	410.09	-0.98	-72.90
[N-]=[N+]=NCC(=O)N1CCC(O)(CNC(=O)CSC2=NC(=O)NN2)CC1	REAL300025143896	0	43	0.0	-26.92	370.35	-5.77	-32.69
C[C@@H](C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025143913	0	52	0.0	-71.92	410.09	-0.98	-72.90
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025143925	1	50	0.0	-74.05	403.71	-0.91	-74.96
C[C@H](C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025143933	0	52	0.0	-71.78	409.39	-1.05	-72.83
CC1C[NH+](CC(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025143939	1	53	0.0	-73.95	424.67	-0.29	-74.24
CC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025143954	0	52	0.0	-73.49	411.11	-0.71	-74.20
CC[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025143954	1	52	0.0	-73.54	411.11	-0.70	-74.24
C[NH+](C)CC=CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025143969	0	53	0.0	-78.25	428.23	-0.17	-78.42
CC[N@@H+]1CCC1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025143973	0	53	0.0	-71.79	415.00	-0.83	-72.62
CC[N@H+]1CCC1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025143973	1	53	0.0	-72.96	423.95	-0.37	-73.33
C[NH+](C)C1(C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025144002	0	53	0.0	-75.88	415.62	-0.54	-76.42
CC1CC[N@@H+]1CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144025	0	53	0.0	-72.80	424.67	-0.25	-73.05
CC1CC[N@H+]1CC(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144025	1	53	0.0	-72.66	424.68	-0.31	-72.97
C[N@@H+]1CCCC1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144125	0	53	0.0	-74.28	413.34	-0.68	-74.96
C[N@H+]1CCCC1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144125	1	53	0.0	-74.10	413.41	-0.73	-74.83
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144275	0	53	0.0	-75.08	413.34	-0.74	-75.82
C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144275	1	53	0.0	-72.48	419.22	-0.25	-72.73
C[C@@H](C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025144326	0	52	0.0	-73.54	411.55	-0.87	-74.41
CC1C[NH+](CC(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025144347	1	53	0.0	-76.03	423.46	-0.13	-76.16
CC[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144364	0	52	0.0	-75.24	411.11	-0.61	-75.85
CC[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144364	1	52	0.0	-75.23	411.11	-0.61	-75.84
C[NH+](C)C1(C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025144390	0	53	0.0	-79.48	417.13	-0.26	-79.74
C[C@H](C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025144394	0	52	0.0	-74.12	411.52	-0.87	-74.99
CC[N@@H+]1CCC1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144396	1	53	0.0	-73.92	417.22	-0.42	-74.34
CC[N@H+]1CCC1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144396	1	53	0.0	-73.52	416.51	-0.74	-74.26
[N-]=[N+]=NCC(=O)NCC1(O)CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025144441	0	43	0.0	-26.21	370.34	-5.68	-31.89
C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144452	0	53	0.0	-71.55	419.08	-0.33	-71.88
C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144452	1	53	0.0	-74.99	413.37	-0.68	-75.67
C[N@H+](CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025144483	0	53	0.0	-72.69	422.64	0.13	-72.56
C[N@@H+](CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025144483	1	53	0.0	-72.45	422.65	0.11	-72.34
C[NH+]1CC(CC(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025144505	0	53	0.0	-75.99	424.80	-0.46	-76.45
C[NH+](C)CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144508	0	49	0.0	-75.91	393.38	-1.28	-77.19
C[C@@H](C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025144511	0	52	0.0	-73.54	411.55	-0.87	-74.41
CC1CC[N@@H+]1CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144518	1	53	0.0	-73.40	419.17	-0.47	-73.87
CC1CC[N@H+]1CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144518	1	53	0.0	-74.14	424.72	-0.20	-74.34
C[NH+](C)CC=CC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144519	0	53	0.0	-78.38	429.34	-0.07	-78.45
CC(C(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025144542	1	53	0.0	-73.96	423.38	-0.35	-74.31
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144596	0	53	0.0	-70.84	418.91	-0.48	-71.32
C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025144596	1	53	0.0	-72.40	411.84	-0.85	-73.25
CC1CC(NC(=O)C2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025144775	0	52	0.0	-68.11	408.11	2.58	-65.53
CC1CC(NC(=O)C2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025144775	1	52	0.0	-69.46	402.05	2.08	-67.38
CC1CC(NC(=O)C2C[N@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025144799	1	53	0.0	-76.82	408.07	2.21	-74.61
CC1CC(NC(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025144799	1	53	0.0	-76.81	408.06	2.19	-74.62
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025144938	1	50	0.0	-67.42	411.49	3.16	-64.26
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@@H+]1C	REAL300025144956	0	55	0.0	-71.40	419.55	2.73	-68.67
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@H+]1C	REAL300025144956	1	55	0.0	-72.23	419.95	3.17	-69.06
CC1CC(NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025144976	0	55	0.0	-67.04	415.85	3.13	-63.91
CC(C)[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025144978	0	57	0.0	-69.28	427.01	4.15	-65.13
CC1CC(NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025144987	0	55	0.0	-69.61	428.18	3.52	-66.09
CC1CC(NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025144987	1	55	0.0	-69.14	428.28	3.51	-65.63
CC1CC(NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145011	0	55	0.0	-73.99	426.64	3.20	-70.79
CC1CC(NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145017	0	55	0.0	-69.23	419.76	3.53	-65.70
CC1CC(NC(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145017	1	55	0.0	-69.22	419.77	3.52	-65.70
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145034	1	50	0.0	-70.79	410.77	3.84	-66.95
CC1CC(NC(=O)CC2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145044	0	55	0.0	-72.92	424.16	3.51	-69.41
CC1CC(NC(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145044	1	55	0.0	-72.75	429.03	3.13	-69.62
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025145047	0	54	0.0	-67.80	411.63	2.58	-65.22
CC1CC(NC(=O)CCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145061	0	57	0.0	-72.93	447.42	3.67	-69.26
CC(C)C(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025145064	0	57	0.0	-70.99	433.61	3.50	-67.49
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145065	0	57	0.0	-73.50	439.37	3.87	-69.63
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145065	1	57	0.0	-73.58	439.37	3.85	-69.73
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145066	0	54	0.0	-71.36	421.29	2.95	-68.41
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145066	1	54	0.0	-71.39	421.29	2.96	-68.43
CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145081	0	52	0.0	-68.39	409.75	2.55	-65.84
CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145081	1	52	0.0	-71.43	403.45	2.04	-69.39
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145093	0	54	0.0	-69.32	417.76	2.89	-66.43
CC1CC(NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145147	0	55	0.0	-71.35	434.11	3.19	-68.16
CC1CC(NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145169	0	55	0.0	-73.99	426.64	3.20	-70.79
CC(C)[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025145184	0	57	0.0	-70.76	423.76	3.83	-66.93
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145211	0	54	0.0	-72.76	417.87	3.13	-69.63
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145211	1	54	0.0	-72.25	422.17	2.75	-69.50
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145221	0	55	0.0	-67.72	420.75	2.90	-64.82
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145221	1	55	0.0	-68.00	420.71	2.91	-65.09
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025145222	0	55	0.0	-70.56	427.44	3.28	-67.28
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025145222	1	55	0.0	-71.64	423.90	3.66	-67.98
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025145224	0	54	0.0	-69.45	411.97	3.51	-65.94
CC1CC(NC(=O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145260	0	48	0.0	-71.63	382.06	1.54	-70.09
CC1CC(NC(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145261	0	50	0.0	-68.32	413.33	5.04	-63.28
CC1CC(NC(=O)C2CCC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145264	0	55	0.0	-71.18	426.69	3.15	-68.03
CC1CC(NC(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145264	1	55	0.0	-65.10	420.46	3.37	-61.73
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+]1CCC1	REAL300025145271	1	52	0.0	-69.26	405.53	2.96	-66.30
CC1CC(NC(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145274	0	57	0.0	-69.54	429.26	3.22	-66.32
CC1CC(NC(=O)C[N@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145281	0	52	0.0	-69.40	412.88	2.89	-66.51
CC1CC(NC(=O)C[N@@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145281	1	52	0.0	-69.36	407.04	3.32	-66.04
CC1CC(NC(=O)CC2C[NH+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145292	0	52	0.0	-71.65	409.22	2.73	-68.92
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025145304	0	51	0.0	-70.06	395.90	2.34	-67.72
CC1CC(NC(=O)CN=[N+]=[N-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300025145311	0	42	0.0	-22.39	359.06	-2.86	-25.25
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025145342	0	51	0.0	-70.06	395.90	2.34	-67.72
CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145345	0	55	0.0	-67.30	424.07	3.12	-64.18
CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145345	1	55	0.0	-69.05	416.11	2.91	-66.14
CC1CC(NC(=O)C[NH+]2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145372	1	49	0.0	-72.15	388.11	2.39	-69.76
CC1CC(NC(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145381	0	53	0.0	-74.01	416.71	3.45	-70.56
CC1CC(NC(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145381	1	53	0.0	-74.19	422.32	3.02	-71.17
C[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025145399	0	51	0.0	-69.23	400.07	1.96	-67.27
CC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025145415	1	52	0.0	-72.13	408.78	3.00	-69.13
CC1CC(NC(=O)C[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145428	1	52	0.0	-72.02	410.15	-1.03	-73.05
CC1CC(NC(=O)C[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145428	1	52	0.0	-71.30	410.04	-1.07	-72.37
CC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C[NH+](C)C	REAL300025145440	0	57	0.0	-75.53	439.00	3.54	-71.99
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145442	0	51	0.0	-70.91	399.79	2.22	-68.69
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145442	1	51	0.0	-70.98	399.79	2.20	-68.78
CC[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C1CC1	REAL300025145452	0	55	0.0	-68.44	428.14	3.55	-64.89
CC[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C1CC1	REAL300025145452	1	55	0.0	-69.39	423.87	3.92	-65.47
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145458	0	57	0.0	-71.57	435.76	3.18	-68.39
CC1CC(NC(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145466	1	55	0.0	-72.19	428.38	3.54	-68.65
CC1CC(NC(=O)C=CC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145473	0	52	0.0	-74.74	420.73	2.75	-71.99
CC(CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025145490	0	57	0.0	-70.79	439.51	3.27	-67.52
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145494	1	52	0.0	-70.31	413.69	2.50	-67.81
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145494	1	52	0.0	-69.99	413.63	2.54	-67.45
C=CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025145515	0	55	0.0	-68.51	425.42	3.06	-65.45
CC1CC(NC(=O)C[NH+]2CC3CC3C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145523	0	53	0.0	-71.22	417.39	3.42	-67.80
CCCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025145528	0	57	0.0	-68.93	433.53	3.30	-65.63
CC1CC(NC(=O)C(C)(C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145530	0	54	0.0	-72.74	409.52	2.71	-70.03
CC1CC(NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145540	0	55	0.0	-69.23	419.76	3.53	-65.70
CC1CC(NC(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145540	1	55	0.0	-69.22	419.77	3.52	-65.70
CC1CC(NC(=O)C2([NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145576	0	52	0.0	-73.33	407.82	2.60	-70.73
CC1CC(NC(=O)CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145577	0	55	0.0	-72.19	431.81	3.20	-68.99
CC1CC(NC(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145587	0	53	0.0	-72.18	412.19	2.90	-69.28
CC1CC(NC(=O)C23CC(C2)C[N@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145587	1	53	0.0	-74.08	408.63	3.07	-71.01
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145622	0	54	0.0	-66.75	421.18	2.88	-63.87
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+]1CC(C)C1	REAL300025145642	1	55	0.0	-69.38	425.78	3.66	-65.72
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145643	1	52	0.0	-69.81	403.64	2.73	-67.08
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145643	1	52	0.0	-69.78	413.41	2.63	-67.15
CC1CC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145674	0	55	0.0	-70.55	431.78	3.26	-67.29
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025145675	0	57	0.0	-72.04	442.10	3.43	-68.61
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300025145844	0	52	0.0	-65.82	401.06	2.72	-63.10
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C	REAL300025145844	1	52	0.0	-68.32	400.77	1.96	-66.36
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300025146018	0	55	0.0	-71.30	428.30	3.08	-68.22
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300025146018	1	55	0.0	-71.90	428.60	3.08	-68.82
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025146021	0	54	0.0	-68.45	413.37	2.38	-66.07
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCC[NH+](C)C	REAL300025146030	0	57	0.0	-72.61	448.87	3.55	-69.06
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146033	0	57	0.0	-70.75	439.37	3.82	-66.93
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146033	1	57	0.0	-70.81	439.37	3.85	-66.96
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146034	0	54	0.0	-69.02	417.07	3.21	-65.81
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146034	1	54	0.0	-69.73	421.22	2.82	-66.91
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300025146064	0	55	0.0	-66.05	425.05	3.49	-62.56
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146069	0	54	0.0	-71.78	423.57	2.64	-69.14
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146069	1	54	0.0	-71.85	423.57	2.65	-69.20
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025146084	0	55	0.0	-73.43	427.82	2.95	-70.48
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146122	0	55	0.0	-66.30	420.80	2.80	-63.50
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146122	1	55	0.0	-65.93	422.91	3.58	-62.35
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025146137	0	55	0.0	-68.17	423.91	3.54	-64.63
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025146137	1	55	0.0	-67.91	423.29	3.54	-64.37
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025146139	0	54	0.0	-67.55	411.65	2.47	-65.08
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146173	1	50	0.0	-65.34	407.27	3.41	-61.93
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146188	1	50	0.0	-68.93	410.84	3.72	-65.21
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@@H+]1C	REAL300025146189	0	55	0.0	-72.55	417.95	2.41	-70.14
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@H+]1C	REAL300025146189	1	55	0.0	-72.19	424.81	2.65	-69.54
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300025146212	0	55	0.0	-67.18	424.08	3.79	-63.39
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300025146212	1	55	0.0	-67.50	428.09	3.40	-64.10
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025146218	0	55	0.0	-73.43	427.82	2.95	-70.48
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300025146228	0	52	0.0	-66.40	401.79	2.18	-64.22
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300025146228	1	52	0.0	-68.27	400.74	1.96	-66.31
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@@H+]1C	REAL300025146288	0	55	0.0	-69.85	421.82	3.18	-66.67
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@H+]1C	REAL300025146288	1	55	0.0	-70.62	419.92	2.35	-68.27
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025146322	0	51	0.0	-67.28	393.02	2.11	-65.17
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCC1	REAL300025146340	0	55	0.0	-70.58	430.39	3.22	-67.36
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CCO	REAL300025146345	1	52	0.0	-70.08	410.08	-1.16	-71.24
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CCO	REAL300025146345	1	52	0.0	-69.74	410.16	-1.13	-70.87
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025146384	1	52	0.0	-70.21	414.73	2.46	-67.75
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146409	0	51	0.0	-69.29	399.73	2.07	-67.22
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146409	1	51	0.0	-69.42	399.87	2.09	-67.33
CC(CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025146454	0	57	0.0	-73.68	437.15	3.14	-70.54
CC[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300025146458	0	55	0.0	-65.90	430.59	3.45	-62.45
CC[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300025146458	1	55	0.0	-66.62	427.89	3.44	-63.18
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146477	0	54	0.0	-74.89	422.35	2.57	-72.32
C[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025146489	0	51	0.0	-68.54	398.78	1.68	-66.86
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146492	0	52	0.0	-68.50	413.29	2.38	-66.12
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146492	1	52	0.0	-68.24	412.23	2.37	-65.87
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[NH+]=CC=C1N	REAL300025146502	0	48	0.0	-68.71	392.98	-0.63	-69.34
CCCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025146506	0	57	0.0	-67.78	432.91	3.08	-64.70
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146516	0	57	0.0	-75.35	443.99	3.18	-72.17
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300025146572	0	53	0.0	-68.53	412.43	3.63	-64.90
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300025146579	0	55	0.0	-66.87	406.91	2.87	-64.00
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300025146579	1	55	0.0	-66.91	410.15	3.04	-63.87
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300025146598	0	53	0.0	-73.11	418.98	3.04	-70.07
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300025146598	1	53	0.0	-74.01	420.19	2.97	-71.04
CC1CC(NC(=O)CSC2=NC(=O)NN2)CCN1C(=O)CN=[N+]=[N-]	REAL300025146603	0	42	0.0	-23.05	360.48	-3.03	-26.08
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025146616	0	52	0.0	-66.70	396.28	2.33	-64.37
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300025146616	1	52	0.0	-65.09	401.03	2.62	-62.47
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025146652	0	55	0.0	-70.21	430.99	3.14	-67.07
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCCCC1	REAL300025146686	0	55	0.0	-68.26	419.55	3.67	-64.59
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300025146687	0	55	0.0	-69.35	417.66	3.17	-66.18
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300025146687	1	55	0.0	-64.52	416.80	3.01	-61.51
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300025146688	0	50	0.0	-67.15	413.27	4.95	-62.20
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300025146697	0	52	0.0	-67.28	411.47	2.84	-64.44
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CC1	REAL300025146697	1	52	0.0	-66.08	407.04	3.22	-62.86
CC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300025146705	0	57	0.0	-73.31	439.01	3.47	-69.84
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1C[NH+](C)C1	REAL300025146745	0	52	0.0	-71.47	414.95	2.24	-69.23
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+](C)C	REAL300025146752	0	48	0.0	-70.79	383.51	1.37	-69.42
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025146760	0	51	0.0	-67.28	393.02	2.11	-65.17
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CC(C)C1	REAL300025146770	0	55	0.0	-67.29	424.42	2.56	-64.73
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146771	0	52	0.0	-66.61	403.60	2.63	-63.98
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146771	1	52	0.0	-67.79	409.14	2.89	-64.90
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+](C)C	REAL300025146772	0	52	0.0	-74.31	418.37	2.60	-71.71
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300025146775	1	55	0.0	-69.56	432.44	3.02	-66.54
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146788	0	54	0.0	-68.33	419.50	2.73	-65.60
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC1	REAL300025146793	1	49	0.0	-70.42	393.81	1.84	-68.58
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025146807	0	57	0.0	-71.14	437.11	3.07	-68.07
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CCC1	REAL300025146828	0	52	0.0	-67.91	412.53	2.32	-65.59
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025146846	0	55	0.0	-65.80	422.69	3.00	-62.80
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300025146846	1	55	0.0	-68.18	414.36	2.68	-65.50
C=CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025146862	0	55	0.0	-67.26	424.38	2.83	-64.43
CC1CC(NC(=O)CSC(N)=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025146882	0	46	0.0	-72.60	389.98	-1.52	-74.12
CCC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025146937	1	55	0.0	-73.17	430.21	3.76	-69.41
CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025146941	0	52	0.0	-70.92	402.10	2.08	-68.84
CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025146941	1	52	0.0	-69.01	403.69	2.96	-66.05
CC1CC(NC(=O)C[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025146948	0	55	0.0	-70.79	424.26	3.41	-67.38
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@@H+]1C	REAL300025146952	0	55	0.0	-72.23	425.59	2.96	-69.27
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@H+]1C	REAL300025146952	1	55	0.0	-70.77	429.32	3.07	-67.70
C[C@@H](CCNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147158	0	48	0.0	-73.40	392.01	0.03	-73.37
C[C@@H](CCNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147158	1	48	0.0	-73.68	391.99	0.03	-73.65
C[C@@H](CCNC(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147182	1	49	0.0	-87.63	409.36	-0.07	-87.70
C[C@@H](CCNC(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147182	1	49	0.0	-78.81	402.24	-0.23	-79.04
CC(C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300025147337	0	57	0.0	-71.42	443.07	2.26	-69.16
CC(C)[N@H+]1CCCCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147339	0	57	0.0	-68.63	438.92	2.05	-66.58
CC(C)[N@@H+]1CCCCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147339	1	57	0.0	-68.20	445.10	1.97	-66.23
CC(C)[N@H+]1CCCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147357	0	54	0.0	-69.68	430.75	1.60	-68.08
CC(C)[N@@H+]1CCCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147357	1	54	0.0	-69.27	433.80	1.70	-67.57
C[C@@H](CCNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147372	0	55	0.0	-76.40	439.52	2.23	-74.17
C[C@@H](CCNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147372	1	55	0.0	-76.22	439.48	2.23	-73.99
CC(C)C1=[NH+]C=CN1CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147389	1	52	0.0	-69.35	437.71	2.20	-67.15
CC1=[NH+]C=CN1CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147412	1	46	0.0	-70.75	401.41	1.09	-69.66
C[C@@H](CCNC(=O)CCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147426	0	57	0.0	-75.59	457.03	2.67	-72.92
C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147439	0	57	0.0	-75.05	441.33	2.45	-72.60
C[C@@H](CCNC(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147447	0	52	0.0	-81.68	413.24	1.27	-80.41
C[C@@H](CCNC(=O)C1CCCC2CCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147480	0	55	0.0	-69.85	428.13	2.03	-67.82
C[C@@H](CCNC(=O)C1CCCC2CCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147480	1	55	0.0	-70.07	428.11	2.01	-68.06
C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147490	0	51	0.0	-78.77	408.57	0.45	-78.32
C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147490	1	51	0.0	-75.47	414.02	0.99	-74.48
CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025147494	0	54	0.0	-75.96	429.40	1.17	-74.79
CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025147494	1	54	0.0	-73.58	432.99	1.69	-71.89
CC[N@@H+]1CCOC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025147503	1	52	0.0	-77.85	420.01	0.42	-77.43
CC[N@H+]1CCOC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025147503	1	52	0.0	-78.00	420.03	0.41	-77.59
CC[NH+](CC)CC(F)C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147540	0	53	0.0	-76.09	435.30	1.48	-74.61
C[C@@H](CCNC(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147596	0	54	0.0	-70.30	429.01	1.35	-68.95
C[C@@H](CCNC(=O)CCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147600	0	54	0.0	-75.34	441.81	2.01	-73.33
C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025147604	0	53	0.0	-82.59	441.73	2.35	-80.24
C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147605	0	54	0.0	-75.43	435.53	1.88	-73.55
CC[N@@H+]1CCCCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147609	0	54	0.0	-70.51	422.34	1.57	-68.94
CC[N@H+]1CCCCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147609	1	54	0.0	-70.07	431.76	1.70	-68.37
CC(C)C[N@@H+]1CCC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025147621	0	57	0.0	-75.09	456.87	2.43	-72.66
CC(C)C[N@H+]1CCC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025147621	1	57	0.0	-73.93	456.44	2.45	-71.48
C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147624	0	51	0.0	-79.93	407.69	0.84	-79.09
CC(C)[N@H+]1CCCC1CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147626	0	57	0.0	-73.16	451.31	2.10	-71.06
CC(C)[N@@H+]1CCCC1CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147626	1	57	0.0	-66.33	441.19	2.02	-64.31
CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025147636	0	53	0.0	-71.61	418.22	1.98	-69.63
C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147671	0	51	0.0	-72.05	418.10	1.46	-70.59
C[C@@H](CCNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147671	1	51	0.0	-71.82	418.20	1.46	-70.36
CC(C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300025147712	0	57	0.0	-67.98	441.92	1.60	-66.38
C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147762	1	50	0.0	-72.12	418.61	1.25	-70.87
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147762	1	50	0.0	-71.83	424.51	1.76	-70.07
C[C@@H](CCNC(=O)CCC1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147767	0	54	0.0	-73.70	433.93	1.50	-72.20
C[C@@H](CCNC(=O)CCC1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147767	1	54	0.0	-78.39	439.37	1.97	-76.42
C[C@@H](CCNC(=O)C12CCC[NH+](CCC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147774	0	55	0.0	-74.68	429.37	1.68	-73.00
C[C@@H](CCNC(=O)C1CCC2CCCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147777	0	55	0.0	-69.18	439.85	2.42	-66.76
C[C@@H](CCNC(=O)C1CCC2CCCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147777	1	55	0.0	-69.08	439.83	2.41	-66.67
C[C@@H](CCNC(=O)CCCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147791	0	57	0.0	-76.13	463.31	2.79	-73.34
C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147800	0	51	0.0	-79.96	416.56	1.14	-78.82
C[C@@H](CCNC(=O)C1=NOC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147826	1	50	0.0	-81.69	430.08	0.44	-81.25
C[C@@H](CCNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147848	0	51	0.0	-71.38	404.63	0.89	-70.49
C[C@@H](CCNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147848	1	51	0.0	-71.66	404.62	0.89	-70.77
CC(C)C[N@@H+]1CCCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147865	0	57	0.0	-71.05	456.89	2.64	-68.41
CC(C)C[N@H+]1CCCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147865	1	57	0.0	-72.69	445.94	2.75	-69.94
C[C@@H](CCNC(=O)C1=CN2C=[NH+]C=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147946	0	46	0.0	-75.81	402.14	2.97	-72.84
CC1=[NH+]C=CN1CCCC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147952	1	52	0.0	-72.64	442.95	2.37	-70.27
C[C@@H](CCNC(=O)CC[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147956	1	52	0.0	-78.69	427.25	-0.51	-79.20
CC1=C[NH+]=CN1CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025147978	1	46	0.0	-73.17	401.74	1.82	-71.35
C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148009	0	52	0.0	-77.81	416.70	1.47	-76.34
C[C@@H](CCNC(=O)C1CCCC([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148028	0	57	0.0	-67.98	444.28	2.15	-65.83
C[C@@H](CCNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148030	0	51	0.0	-77.00	417.83	1.07	-75.93
C[C@@H](CCNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148030	1	51	0.0	-77.61	418.52	1.07	-76.54
C[C@@H](CCNC(=O)C1=C[NH+]=CC=C1N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148040	0	50	0.0	-84.12	422.70	0.27	-83.85
CCC(C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025148044	0	50	0.0	-70.63	402.63	0.46	-70.17
C[C@@H](CCNC(=O)CC1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148052	0	57	0.0	-78.23	435.81	1.90	-76.33
C[C@@H](CCNC(=O)C1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148082	1	46	0.0	-81.37	402.42	2.99	-78.38
C[C@@H](CCNC(=O)CCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148125	0	53	0.0	-77.65	437.34	1.61	-76.04
CC(C)C(C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025148141	0	53	0.0	-72.74	422.14	1.50	-71.24
CCC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148143	0	53	0.0	-76.81	433.57	1.43	-75.38
CCC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148143	1	53	0.0	-76.81	433.58	1.44	-75.37
CCC[N@H+](C)CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148148	0	50	0.0	-74.00	411.21	0.88	-73.12
CCC[N@@H+](C)CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148148	1	50	0.0	-73.98	411.21	0.88	-73.10
C[C@@H](CCNC(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148168	0	52	0.0	-81.51	413.91	0.71	-80.80
C[C@@H](CCNC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148168	1	52	0.0	-75.85	413.62	0.69	-75.16
C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148198	0	48	0.0	-71.01	398.32	0.54	-70.47
C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148198	1	48	0.0	-73.81	392.01	0.03	-73.78
CC[NH+](CC)CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148251	0	50	0.0	-72.43	408.08	0.84	-71.59
CCC[N@@H+]1CCCC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025148282	0	57	0.0	-74.14	455.71	2.50	-71.64
CCC[N@H+]1CCCC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025148282	1	57	0.0	-67.28	449.47	2.70	-64.58
C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148321	0	54	0.0	-74.87	434.94	1.97	-72.90
C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148353	0	51	0.0	-77.52	422.62	1.17	-76.35
CC(C)[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025148412	0	57	0.0	-77.00	447.20	2.09	-74.91
C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148427	0	51	0.0	-79.96	416.56	1.14	-78.82
CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025148445	0	53	0.0	-72.56	421.60	1.54	-71.02
CCC(C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025148475	0	56	0.0	-67.72	438.11	1.76	-65.96
CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148522	0	50	0.0	-76.07	412.08	0.70	-75.37
CC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148522	1	50	0.0	-76.11	412.07	0.70	-75.41
C[C@@H](CCNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148568	0	51	0.0	-71.46	417.13	1.25	-70.21
C[C@@H](CCNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148568	1	51	0.0	-70.57	410.69	0.86	-69.71
C[C@@H](CCNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148570	0	51	0.0	-73.60	417.36	1.23	-72.37
C[C@@H](CCNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148570	1	51	0.0	-73.36	418.05	1.22	-72.14
C[C@@H](CCNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148574	0	54	0.0	-73.69	437.54	1.73	-71.96
C[C@@H](CCNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148574	1	54	0.0	-73.19	437.01	1.72	-71.47
C[C@@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148575	0	56	0.0	-73.82	442.11	2.05	-71.77
C[C@@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148575	1	56	0.0	-74.05	441.60	1.97	-72.08
CC[C@@H](C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025148583	0	50	0.0	-70.52	402.22	0.49	-70.03
C[C@@H](CCNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148724	0	44	0.0	-74.47	371.98	-0.53	-75.00
C[C@@H](CCNC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148728	0	54	0.0	-73.45	423.07	1.53	-71.92
C[C@@H](CCNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148732	0	46	0.0	-71.97	403.21	2.98	-68.99
C[C@@H](CCNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148738	0	51	0.0	-66.99	410.29	1.30	-65.69
C[C@@H](CCNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148738	1	51	0.0	-75.20	416.57	1.10	-74.10
C[C@@H](CCNC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148743	0	52	0.0	-69.40	429.48	1.99	-67.41
C[C@@H](CCNC(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148743	1	52	0.0	-72.76	422.39	1.34	-71.42
CC(C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025148766	1	48	0.0	-71.59	400.18	0.53	-71.06
CCC(CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025148770	0	56	0.0	-68.43	447.21	2.09	-66.34
C[C@@H](CCNC(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148777	0	53	0.0	-69.96	419.51	1.17	-68.79
C[C@@H](CCNC(=O)C12CC(C1)C[N@@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148791	0	53	0.0	-74.99	430.12	2.20	-72.79
C[C@@H](CCNC(=O)C12CC(C1)C[N@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148791	1	53	0.0	-76.53	430.01	2.79	-73.74
C[C@@H](CCNC(=O)C[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148799	1	52	0.0	-77.97	424.79	-2.01	-79.98
C[C@@H](CCNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148800	0	48	0.0	-71.60	401.38	0.88	-70.72
C[C@@H](CCNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148800	1	48	0.0	-71.65	401.38	0.88	-70.77
CC(C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300025148801	1	56	0.0	-72.95	442.93	-0.71	-73.66
C[C@@H](CCNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148819	0	48	0.0	-75.13	403.42	0.30	-74.83
C[C@@H](CCNC(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148823	0	55	0.0	-73.21	437.98	1.97	-71.24
C[C@@H](CCNC(=O)C1CC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148823	1	55	0.0	-75.11	442.65	2.27	-72.84
C[C@@H](CCNC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148831	0	54	0.0	-71.12	417.50	0.69	-70.43
C[C@@H](CCNC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148831	1	54	0.0	-72.78	416.68	0.99	-71.79
C[C@@H](CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148842	0	47	0.0	-72.53	389.88	-0.10	-72.63
C[C@@H](CCNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300025148849	0	38	0.0	-26.11	348.94	-4.93	-31.04
CCC1CCC[N@H+](CC(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025148873	0	57	0.0	-74.76	445.93	2.55	-72.21
CCC1CCC[N@@H+](CC(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025148873	1	57	0.0	-74.45	452.95	2.59	-71.86
C[C@@H](CCNC(=O)C1=CC=C(C[NH+](C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148880	0	52	0.0	-88.09	438.85	0.66	-87.43
C[C@@H](CCNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148921	0	44	0.0	-70.61	399.05	-0.35	-70.96
C[C@@H](CCNC(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148931	0	51	0.0	-75.92	422.43	-2.54	-78.46
C[C@@H](CCNC(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148931	1	51	0.0	-75.27	422.41	-2.55	-77.82
C[C@@H](CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148932	0	47	0.0	-72.53	389.88	-0.10	-72.63
C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148936	0	51	0.0	-70.94	413.93	1.06	-69.88
C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148936	1	51	0.0	-71.71	404.62	0.89	-70.82
C[C@@H](CCNC(=O)C1C[N@@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148944	0	54	0.0	-79.62	424.74	-1.55	-81.17
C[C@@H](CCNC(=O)C1C[N@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148944	1	54	0.0	-81.16	424.85	-1.55	-82.71
C[C@@H](CCNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149004	1	45	0.0	-74.37	382.08	-0.10	-74.47
C[C@@H](CCNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149027	0	49	0.0	-77.94	410.83	1.02	-76.92
C[C@@H](CCNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149027	1	49	0.0	-77.91	409.87	1.04	-76.87
C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149057	0	51	0.0	-74.65	427.84	0.54	-74.11
C=CCC(C)(C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025149076	0	54	0.0	-67.70	427.35	1.53	-66.17
C[C@@H](CCNC(=O)C(O)CC[S+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149080	0	50	0.0	-81.74	436.83	-0.87	-82.61
C[C@@H](CCNC(=O)C1(C)CC(O)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149105	0	52	0.0	-82.42	419.50	-2.16	-84.58
C[C@@H](CCNC(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149114	0	56	0.0	-72.03	442.11	-0.36	-72.39
C[C@@H](CCNC(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149114	1	56	0.0	-72.03	442.11	-0.36	-72.39
C[C@@H](CCNC(=O)CN1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149131	0	48	0.0	-74.33	403.25	0.57	-73.76
C[C@@H](CCNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149131	1	48	0.0	-74.33	403.25	0.57	-73.76
C[C@@H](CCNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149153	1	48	0.0	-74.69	400.06	-3.10	-77.79
C[C@@H](CCNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149153	1	48	0.0	-74.75	399.84	-3.10	-77.85
CC(CCNC(=O)C1C[N@@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149172	0	54	0.0	-81.08	420.15	-1.21	-82.29
CC(CCNC(=O)C1C[N@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149172	1	54	0.0	-85.95	418.78	-0.72	-86.67
CC[N@@H+]1CCCC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025149177	0	54	0.0	-67.08	427.96	1.94	-65.14
CC[N@H+]1CCCC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025149177	1	54	0.0	-73.37	434.21	1.75	-71.62
CC(CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025149179	0	53	0.0	-79.89	429.10	1.46	-78.43
CC[N@H+](C)CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149186	0	47	0.0	-73.76	389.71	0.14	-73.62
CC[N@@H+](C)CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149186	1	47	0.0	-73.70	389.71	0.14	-73.56
C[C@@H](CCNC(=O)C12CCC[N@@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149205	0	55	0.0	-69.18	427.60	2.01	-67.17
C[C@@H](CCNC(=O)C12CCC[N@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149205	1	55	0.0	-68.29	426.32	2.05	-66.24
C[C@@H](CCNC(=O)C12CCC[N@@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149210	0	53	0.0	-74.56	418.50	2.10	-72.46
C[C@@H](CCNC(=O)C12CCC[N@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149210	1	53	0.0	-77.89	417.98	2.36	-75.53
CC[N@H+](CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025149229	0	51	0.0	-70.61	420.57	1.50	-69.11
CC[N@@H+](CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025149229	1	51	0.0	-71.34	418.03	1.49	-69.85
CC[NH+](CC)CCC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149241	0	53	0.0	-75.13	429.93	1.39	-73.74
C[C@@H](CCNC(=O)C=C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149251	0	52	0.0	-74.97	425.53	1.76	-73.21
C[C@@H](CCNC(=O)C[NH+]1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149260	1	51	0.0	-74.54	422.39	1.05	-73.49
C[C@@H](CCNC(=O)C[N@@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149282	0	52	0.0	-74.47	428.19	-2.12	-76.59
C[C@@H](CCNC(=O)C[N@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149282	1	52	0.0	-74.59	428.23	-2.12	-76.71
C[C@@H](CCNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149289	0	48	0.0	-79.08	407.94	0.69	-78.39
CC(OCC[NH+](C)C)C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149306	0	54	0.0	-75.38	446.84	1.27	-74.11
C[C@@H](CCNC(=O)CCOCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149313	0	54	0.0	-75.43	448.79	0.28	-75.15
COCC[N@H+](C)CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149314	1	51	0.0	-74.55	422.10	-0.69	-75.24
COCC[N@@H+](C)CC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149314	1	51	0.0	-74.98	422.31	-0.69	-75.67
C[C@@H](CCNC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149338	0	54	0.0	-81.11	423.10	1.67	-79.44
CC(CCC(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025149341	0	53	0.0	-74.38	429.26	1.20	-73.18
CC[N@@H+]1CCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149347	1	48	0.0	-71.97	396.78	0.20	-71.77
CC[N@H+]1CCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149347	1	48	0.0	-73.48	403.61	0.50	-72.98
CC(C)[N@@H+]1CCCC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025149355	0	57	0.0	-66.55	444.62	2.47	-64.08
CC(C)[N@H+]1CCCC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025149355	1	57	0.0	-72.51	450.88	2.26	-70.25
C[C@@H](CCNC(=O)C[N@@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149366	0	52	0.0	-73.86	424.98	-1.97	-75.83
C[C@@H](CCNC(=O)C[N@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149366	1	52	0.0	-73.35	426.82	-1.98	-75.33
C[C@@H](CCNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149386	0	55	0.0	-76.40	439.52	2.23	-74.17
C[C@@H](CCNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149386	1	55	0.0	-76.22	439.48	2.23	-73.99
C[C@@H](CCNC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149392	0	54	0.0	-73.57	429.23	1.55	-72.02
C[C@@H](CCNC(=O)C1=CC(C[NH+](C)C)=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149398	0	52	0.0	-80.60	438.35	0.75	-79.85
C=CCC(C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025149417	0	51	0.0	-70.25	415.65	0.95	-69.30
C[C@@H](CCNC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149426	0	54	0.0	-72.76	432.36	1.08	-71.68
C[C@@H](CCNC(=O)C1CC(C)(C)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149426	1	54	0.0	-73.11	431.86	1.19	-71.92
C[C@@H](CCNC(=O)CCCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149429	0	56	0.0	-76.90	458.84	2.39	-74.51
C[C@@H](CCNC(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149436	0	49	0.0	-74.33	407.33	1.35	-72.98
C[C@@H](CCNC(=O)C1C[N@@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149459	0	54	0.0	-82.79	424.97	-1.46	-84.25
C[C@@H](CCNC(=O)C1C[N@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149459	1	54	0.0	-81.76	424.96	-1.55	-83.31
CCCC(C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025149460	0	53	0.0	-71.64	423.89	1.25	-70.39
C[C@@H](CCNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149464	0	50	0.0	-78.97	399.68	0.59	-78.38
C[C@@H](CCNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149497	0	51	0.0	-71.38	404.63	0.89	-70.49
C[C@@H](CCNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149497	1	51	0.0	-71.66	404.62	0.89	-70.77
C[C@@H](CCNC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149528	0	52	0.0	-72.70	431.12	1.80	-70.90
C[C@@H](CCNC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149528	1	52	0.0	-70.64	431.11	1.80	-68.84
C[C@@H](CCNC(=O)CC1([NH+]2CCCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149536	0	55	0.0	-72.22	435.96	2.14	-70.08
C[C@@H](CCNC(=O)C1=CC=C(C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149573	1	51	0.0	-84.09	436.56	1.29	-82.80
C[C@@H](CCNC(=O)C=CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149587	0	52	0.0	-77.88	432.54	1.75	-76.13
C[C@@H](CCNC(=O)C1CC[NH+](C2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149605	0	55	0.0	-76.97	445.82	2.55	-74.42
C[C@@H](CCNC(=O)C1([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149622	0	48	0.0	-79.76	394.41	1.18	-78.58
C[C@@H](CCNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149624	0	51	0.0	-76.20	418.70	1.08	-75.12
C[C@@H](CCNC(=O)C1C[NH+]2CCN1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149656	0	51	0.0	-82.77	408.30	-2.05	-84.82
C[C@@H](CCNC(=O)C12CC(C1)C[N@@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149664	0	49	0.0	-79.00	402.12	0.80	-78.20
C[C@@H](CCNC(=O)C12CC(C1)C[N@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149664	1	49	0.0	-78.90	404.02	0.67	-78.23
C[C@@H](CCNC(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149675	0	52	0.0	-72.26	418.70	1.58	-70.68
C[C@@H](CCNC(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149675	1	52	0.0	-72.17	418.39	1.56	-70.61
C[C@@H](CCNC(=O)C=C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149711	0	53	0.0	-68.94	428.12	1.86	-67.08
C[C@@H](CCNC(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149721	1	50	0.0	-72.57	411.09	1.44	-71.13
C[C@@H](CCNC(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149721	1	50	0.0	-70.09	411.07	1.35	-68.74
CC[NH+]1CCN(CC(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025149747	0	56	0.0	-72.98	448.74	-0.34	-73.32
CC(C[NH+](C)C)C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149761	0	50	0.0	-68.74	410.17	0.84	-67.90
C[C@@H](CCNC(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149822	0	54	0.0	-77.52	431.24	1.66	-75.86
C[C@@H](CCNC(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149822	1	54	0.0	-66.56	423.73	1.54	-65.02
CC(C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025149836	0	51	0.0	-71.61	419.60	1.22	-70.39
C[C@@H](CCNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149838	1	48	0.0	-73.03	403.31	0.55	-72.48
C[C@@H](CCNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149838	1	48	0.0	-71.95	397.77	0.29	-71.66
C[C@@H](CCNC(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149841	0	51	0.0	-79.97	424.46	-1.48	-81.45
C[C@@H](CCNC(=O)C1C[N@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149865	1	52	0.0	-88.78	423.29	0.23	-88.55
C[C@@H](CCNC(=O)C1C[N@@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149865	1	52	0.0	-79.51	423.46	0.51	-79.00
CCC[N@@H+]1CCCCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149874	0	57	0.0	-71.07	443.82	2.31	-68.76
CCC[N@H+]1CCCCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149874	1	57	0.0	-70.59	453.27	2.47	-68.12
C[C@@H](CCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149930	0	51	0.0	-75.73	421.52	1.20	-74.53
CC(CC[NH+](C)C)C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149937	0	53	0.0	-75.77	432.02	1.37	-74.40
C#CC[N@H+]1CCCCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149958	1	53	0.0	-71.42	439.26	2.27	-69.15
C#CC[N@@H+]1CCCCC1C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149958	1	53	0.0	-71.24	439.26	2.26	-68.98
C[C@@H](CCNC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149961	1	53	0.0	-74.34	431.38	-1.01	-75.35
CC[NH+]1CCN(CC(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025149968	0	56	0.0	-72.98	448.74	-0.34	-73.32
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C	REAL300025150138	0	48	0.0	-69.57	392.01	0.04	-69.53
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300025150138	1	48	0.0	-66.40	392.01	0.04	-66.36
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CCO1	REAL300025150164	1	49	0.0	-75.82	402.22	-0.23	-76.05
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CCO1	REAL300025150164	1	49	0.0	-80.99	409.36	-0.07	-81.06
CC1=[NH+]C=CN1CCCC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150321	1	52	0.0	-67.66	442.95	2.38	-65.28
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCOCC1	REAL300025150325	1	52	0.0	-73.46	427.24	-0.52	-73.98
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+]1CCC2	REAL300025150343	0	52	0.0	-68.12	416.56	1.47	-66.65
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300025150351	1	46	0.0	-75.03	402.41	3.00	-72.03
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300025150397	0	57	0.0	-65.19	444.28	2.15	-63.04
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300025150399	0	51	0.0	-71.30	418.30	1.08	-70.22
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300025150399	1	51	0.0	-72.99	418.52	1.09	-71.90
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300025150409	0	50	0.0	-75.79	422.70	0.28	-75.51
CCC(C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025150413	0	50	0.0	-67.10	402.63	0.48	-66.62
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+](C)C	REAL300025150462	0	53	0.0	-72.76	437.34	1.62	-71.14
CC(C)C(C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025150480	0	53	0.0	-67.86	416.20	1.03	-66.83
CCC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150482	0	53	0.0	-71.49	433.57	1.43	-70.06
CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150482	1	53	0.0	-71.27	433.57	1.43	-69.84
CCC[N@H+](C)CC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150487	0	50	0.0	-68.81	411.20	0.90	-67.91
CCC[N@@H+](C)CC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150487	1	50	0.0	-69.05	411.21	0.89	-68.16
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300025150507	0	52	0.0	-69.88	413.70	0.70	-69.18
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300025150507	1	52	0.0	-71.22	413.62	0.68	-70.54
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(C)CC1	REAL300025150556	0	54	0.0	-69.10	434.94	1.98	-67.12
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300025150615	0	55	0.0	-67.61	439.64	2.17	-65.44
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300025150615	1	55	0.0	-65.95	439.17	2.19	-63.76
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C[NH+](C)C)CC1	REAL300025150624	0	51	0.0	-65.48	423.66	1.29	-64.19
CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025150633	0	57	0.0	-69.80	450.90	2.33	-67.47
CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150649	0	50	0.0	-70.72	412.08	0.69	-70.03
CC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150649	1	50	0.0	-70.57	412.07	0.69	-69.88
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300025150668	0	57	0.0	-69.11	441.41	2.45	-66.66
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+]2CCC1CC2	REAL300025150676	0	52	0.0	-70.56	413.33	1.29	-69.27
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300025150735	0	51	0.0	-72.13	416.54	1.14	-70.99
CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025150753	0	53	0.0	-65.76	421.21	1.59	-64.17
CC[NH+](CC)CC(F)C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150833	0	53	0.0	-69.47	429.11	1.11	-68.36
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025150859	0	57	0.0	-69.97	456.82	2.47	-67.50
CC(C)C[N@H+]1CCC(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025150859	1	57	0.0	-69.64	456.68	2.39	-67.25
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCC1	REAL300025150862	0	51	0.0	-65.45	406.16	0.97	-64.48
CCC(C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025150892	0	56	0.0	-63.49	437.80	1.84	-61.65
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300025150908	0	51	0.0	-66.20	416.92	1.17	-65.03
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1C	REAL300025150908	1	51	0.0	-65.96	417.39	1.27	-64.69
CC(C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300025150953	0	57	0.0	-65.63	441.00	1.94	-63.69
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150955	0	57	0.0	-62.40	445.18	1.98	-60.42
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150955	1	57	0.0	-64.24	445.09	1.99	-62.25
CC(C)[N@H+]1CCCC1C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150973	0	54	0.0	-67.52	419.64	1.43	-66.09
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150973	1	54	0.0	-64.68	430.87	1.60	-63.08
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150979	0	57	0.0	-61.42	442.49	1.58	-59.84
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025150979	1	57	0.0	-60.52	441.18	2.02	-58.50
CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025150989	0	53	0.0	-68.86	417.37	1.51	-67.35
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300025151007	0	51	0.0	-67.76	417.39	1.17	-66.59
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)C1	REAL300025151007	1	51	0.0	-68.10	417.33	1.16	-66.94
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025151011	0	54	0.0	-67.92	436.97	1.74	-66.18
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300025151011	1	54	0.0	-68.09	437.40	1.72	-66.37
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300025151012	0	56	0.0	-68.77	441.76	2.03	-66.74
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300025151012	1	56	0.0	-68.64	439.79	1.89	-66.75
CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025151020	0	50	0.0	-67.46	402.39	0.48	-66.98
CC1=[NH+]C=CN1CC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025151179	1	46	0.0	-65.73	401.41	1.10	-64.63
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCCC1	REAL300025151193	0	57	0.0	-70.67	457.03	2.67	-68.00
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300025151205	1	50	0.0	-77.57	430.06	0.45	-77.12
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025151231	1	52	0.0	-64.67	437.63	2.22	-62.45
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300025151257	0	55	0.0	-62.36	436.53	2.33	-60.03
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300025151257	1	55	0.0	-63.17	436.52	2.32	-60.85
CC[N@@H+]1CCOC(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025151270	1	52	0.0	-75.36	427.15	0.58	-74.78
CC[N@H+]1CCOC(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025151270	1	52	0.0	-66.85	420.03	0.40	-66.45
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300025151308	0	46	0.0	-71.29	402.14	3.00	-68.29
CC1=C[NH+]=CN1CC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025151312	1	46	0.0	-69.80	400.69	1.78	-68.02
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025151321	0	51	0.0	-71.87	409.54	0.68	-71.19
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025151321	1	51	0.0	-71.20	414.08	0.96	-70.24
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025151325	0	54	0.0	-71.44	428.94	1.16	-70.28
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025151325	1	54	0.0	-70.00	432.58	1.75	-68.25
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1C(C)CCC1C	REAL300025151335	0	54	0.0	-65.03	429.02	1.36	-63.67
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC[NH+]1CCCC1	REAL300025151339	0	54	0.0	-70.48	441.80	2.01	-68.47
C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025151344	0	53	0.0	-73.79	441.21	2.29	-71.50
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCCC1	REAL300025151345	0	54	0.0	-70.06	435.53	1.88	-68.18
CC[N@@H+]1CCCCC1C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025151350	0	54	0.0	-64.80	422.31	1.55	-63.25
CC[N@H+]1CCCCC1C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025151350	1	54	0.0	-66.18	422.33	1.55	-64.63
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1([NH+](C)C)CCCC1	REAL300025151382	0	57	0.0	-71.43	435.81	1.90	-69.53
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCC1	REAL300025151493	0	51	0.0	-67.43	418.10	1.46	-65.97
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCC1	REAL300025151493	1	51	0.0	-66.59	418.20	1.47	-65.12
CC(C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300025151510	0	57	0.0	-62.92	441.35	1.95	-60.97
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+]1CCCC1	REAL300025151521	0	57	0.0	-71.45	463.30	2.79	-68.66
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C)CC1	REAL300025151530	0	51	0.0	-72.13	416.54	1.14	-70.99
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300025151564	0	48	0.0	-65.87	397.01	0.56	-65.31
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300025151564	1	48	0.0	-66.41	391.97	0.04	-66.37
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025151583	1	50	0.0	-67.44	418.58	1.26	-66.18
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C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@@H+]1C	REAL300025151588	0	54	0.0	-70.13	433.93	1.50	-68.63
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCC[N@H+]1C	REAL300025151588	1	54	0.0	-72.93	439.36	1.97	-70.96
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300025151595	0	55	0.0	-70.33	429.37	1.68	-68.65
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300025151598	0	55	0.0	-63.61	439.79	2.44	-61.17
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300025151598	1	55	0.0	-64.17	439.52	2.37	-61.80
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C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@@H+]1C	REAL300025151690	0	51	0.0	-64.58	413.95	1.08	-63.50
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC[N@H+]1C	REAL300025151690	1	51	0.0	-67.27	413.95	1.08	-66.19
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CC(C)C[N@H+]1CCCC1C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025151708	1	57	0.0	-68.53	445.16	1.79	-66.74
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+](C)C1C	REAL300025151759	0	51	0.0	-69.57	413.26	0.67	-68.90
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+](C)C1C	REAL300025151759	1	51	0.0	-69.75	417.54	1.07	-68.68
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@@H+]1C	REAL300025151761	0	57	0.0	-68.63	453.29	2.40	-66.23
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1CCCC[N@H+]1C	REAL300025151761	1	57	0.0	-69.83	453.05	2.39	-67.44
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025151838	0	54	0.0	-65.99	433.50	1.23	-64.76
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300025151838	1	54	0.0	-65.23	433.46	1.19	-64.04
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300025151856	0	47	0.0	-68.43	390.09	-0.11	-68.54
C=CCC(C)(C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025151870	0	54	0.0	-62.92	427.43	1.48	-61.44
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCCC1	REAL300025151890	0	51	0.0	-70.21	420.30	1.21	-69.00
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CCO	REAL300025151900	1	48	0.0	-70.04	400.06	-3.09	-73.13
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CCO	REAL300025151900	1	48	0.0	-68.80	399.84	-3.10	-71.90
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CCC2	REAL300025151929	0	54	0.0	-79.73	418.84	-0.74	-80.47
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CCC2	REAL300025151929	1	54	0.0	-77.03	420.09	-1.21	-78.24
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@H+](C)CC1	REAL300025151973	0	52	0.0	-70.09	431.12	1.80	-68.29
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC[N@@H+](C)CC1	REAL300025151973	1	52	0.0	-68.64	431.12	1.80	-66.84
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)CC[S+](C)C	REAL300025151987	0	50	0.0	-76.93	436.83	-0.86	-77.79
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300025152005	0	52	0.0	-73.39	418.42	-2.36	-75.75
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300025152005	1	52	0.0	-76.05	416.30	-1.84	-77.89
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@H+](C)C1	REAL300025152014	0	56	0.0	-68.28	442.42	-0.38	-68.66
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CN(C)CC[N@@H+](C)C1	REAL300025152014	1	56	0.0	-68.04	442.20	-0.39	-68.43
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CC(C)C1	REAL300025152042	1	48	0.0	-69.56	402.06	0.64	-68.92
CC[N@@H+]1CCCC(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025152048	0	54	0.0	-68.19	434.21	1.75	-66.44
CC[N@H+]1CCCC(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025152048	1	54	0.0	-64.09	427.95	1.96	-62.13
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300025152063	0	52	0.0	-70.47	422.64	1.49	-68.98
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300025152063	1	52	0.0	-63.63	424.64	1.78	-61.85
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC[NH+]1CCCC1	REAL300025152098	0	52	0.0	-73.22	434.28	1.90	-71.32
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300025152116	0	55	0.0	-69.66	441.39	2.34	-67.32
CC[N@H+](C)CC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025152153	0	47	0.0	-68.55	389.71	0.15	-68.40
CC[N@@H+](C)CC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025152153	1	47	0.0	-68.61	389.71	0.15	-68.46
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300025152196	1	50	0.0	-66.97	411.96	1.48	-65.49
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CC2C=CC1C2	REAL300025152196	1	50	0.0	-66.94	411.19	1.44	-65.50
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C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300025152296	0	55	0.0	-63.59	425.82	2.07	-61.52
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CCCC2	REAL300025152296	1	55	0.0	-64.56	426.81	2.00	-62.56
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300025152302	0	53	0.0	-67.85	419.35	2.23	-65.62
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300025152302	1	53	0.0	-69.17	418.61	1.98	-67.19
CC(OCC[NH+](C)C)C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025152311	0	54	0.0	-67.44	447.63	1.22	-66.22
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COCC[N@H+](C)CC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025152321	1	51	0.0	-68.46	422.09	-0.69	-69.15
COCC[N@@H+](C)CC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025152321	1	51	0.0	-70.18	422.32	-0.68	-70.86
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CC(CCC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025152326	0	53	0.0	-71.19	425.32	1.21	-69.98
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[NH+](C)CC1	REAL300025152339	0	52	0.0	-70.52	425.52	1.76	-68.76
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C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@@H+]2C1	REAL300025153820	0	53	0.0	-67.98	430.37	-0.18	-68.16
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2COCC[N@H+]2C1	REAL300025153820	1	53	0.0	-67.98	430.37	-0.18	-68.16
CC(C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)N1CCC1	REAL300025153830	0	48	0.0	-66.36	401.98	0.41	-65.95
CC(C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025153830	1	48	0.0	-66.36	401.98	0.41	-65.95
CCC(CC(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025153835	0	56	0.0	-75.64	446.81	2.09	-73.55
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C[NH+](C)C	REAL300025153843	0	53	0.0	-63.57	419.51	1.18	-62.39
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025153893	0	51	0.0	-66.07	404.60	0.90	-65.17
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300025153905	0	54	0.0	-70.22	424.85	-1.54	-71.76
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC(O)C[NH+](C)C	REAL300025153925	0	51	0.0	-74.41	424.57	-1.50	-75.91
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300025153927	0	55	0.0	-69.76	407.32	1.63	-68.13
C=CCC(C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025153955	0	51	0.0	-66.67	415.65	0.97	-65.70
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300025153961	0	55	0.0	-65.95	439.17	2.19	-63.76
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300025153961	1	55	0.0	-65.95	439.17	2.19	-63.76
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300025153972	0	54	0.0	-64.80	429.22	1.55	-63.25
C[C@@H](CCNC(=O)CSC(N)=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025153997	0	42	0.0	-77.14	379.90	-3.58	-80.72
C[C@@H](CCNC(=O)C1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154033	0	57	0.0	-80.70	450.80	2.33	-78.37
C[C@@H](CCNC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154034	0	54	0.0	-80.24	446.67	2.02	-78.22
C[C@@H](CCNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154035	0	57	0.0	-71.24	444.27	2.16	-69.08
C[C@@H](CCNC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154036	0	52	0.0	-67.51	418.15	1.47	-66.04
C[C@@H](CCNC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154036	1	52	0.0	-78.57	423.20	1.53	-77.04
C[C@@H](OCC[NH+](C)C)C(=O)NCC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154057	0	54	0.0	-72.61	447.63	1.23	-71.38
C[C@@H](CCNC(=O)C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154080	0	55	0.0	-74.30	414.90	2.03	-72.27
CCC1C[NH+](CC(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025154170	1	51	0.0	-75.35	424.61	1.32	-74.03
C[C@@H](CCNC(=O)C1([NH+]2CCCC2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154172	0	55	0.0	-68.55	434.12	2.19	-66.36
C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154179	0	48	0.0	-73.34	391.94	0.03	-73.31
C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154179	1	48	0.0	-70.26	397.66	0.44	-69.82
C[C@@H](CCNC(=O)CC[N@@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154186	0	51	0.0	-80.64	426.58	1.29	-79.35
C[C@@H](CCNC(=O)CC[N@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154186	1	51	0.0	-80.75	426.58	1.29	-79.46
C[C@@H](CCNC(=O)CC[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154200	0	57	0.0	-77.39	446.00	2.10	-75.29
C[C@@H](CCNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154202	0	51	0.0	-74.01	414.08	1.36	-72.65
C[C@@H](CCNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154210	0	51	0.0	-75.51	414.20	0.91	-74.60
C[C@@H](CCNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154210	1	51	0.0	-75.39	414.02	0.98	-74.41
C[C@@H](CCNC(=O)CCC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154212	0	57	0.0	-73.34	453.29	2.40	-70.94
C[C@@H](CCNC(=O)CCC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154212	1	57	0.0	-73.18	453.34	2.40	-70.78
C[C@@H](CCNC(=O)C1CC[N@@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154233	0	53	0.0	-71.52	427.08	-0.21	-71.73
C[C@@H](CCNC(=O)C1CC[N@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154233	1	53	0.0	-71.31	427.20	-0.20	-71.51
C[C@@H](CCNC(=O)CC1COCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154249	1	52	0.0	-70.25	415.11	-0.85	-71.10
C[C@@H](CCNC(=O)CC1COCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154249	1	52	0.0	-69.74	415.10	-0.85	-70.59
CC1=C(C)[NH+]=C(CCC(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025154256	1	52	0.0	-70.17	442.21	0.76	-69.41
CCOCC(N=[N+]=[N-])C(=O)NCC[C@H](C)NC(=O)CSC1=NC(=O)NN1	REAL300025154260	0	48	0.0	-25.87	425.16	-4.24	-30.11
C[C@@H](CCNC(=O)CSCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154324	0	51	0.0	-81.22	438.87	1.41	-79.81
C[C@@H](CCNC(=O)C1CC2COCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154330	0	53	0.0	-73.65	430.39	-0.14	-73.79
C[C@@H](CCNC(=O)C1CC2COCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154330	1	53	0.0	-76.68	430.71	-0.20	-76.88
CN(C(=O)C1CCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154431	0	55	0.0	-55.82	421.87	4.66	-51.16
CN(C(=O)C1CCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154431	1	55	0.0	-72.86	422.18	4.58	-68.28
CCC(C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025154531	0	57	0.0	-72.44	427.24	4.87	-67.57
CCC[N@H+](C)CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154536	0	57	0.0	-72.77	435.59	5.20	-67.57
CCC[N@@H+](C)CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154536	1	57	0.0	-72.65	435.59	5.20	-67.45
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154544	0	55	0.0	-65.44	422.45	4.66	-60.78
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154544	1	55	0.0	-67.08	416.14	4.34	-62.74
CC[NH+](CC)CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154549	0	57	0.0	-66.73	433.04	5.14	-61.59
CC[N@H+](C)CCC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154605	0	57	0.0	-70.57	437.99	5.05	-65.52
CC[N@@H+](C)CCC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154605	1	57	0.0	-75.93	436.46	5.03	-70.90
CC[C@@H](C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025154608	0	57	0.0	-57.07	427.02	4.75	-52.32
CN(C(=O)C[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154626	0	51	0.0	-69.29	397.22	3.77	-65.52
CC(C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025154630	1	55	0.0	-70.87	419.61	4.58	-66.29
CN(C(=O)C[N@H+](C)C1CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154636	0	55	0.0	-70.34	425.76	5.19	-65.15
CN(C(=O)C[N@@H+](C)C1CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154636	1	55	0.0	-69.67	425.62	5.20	-64.47
CN(C(=O)CC1C[NH+](C)C1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154642	0	55	0.0	-74.92	427.80	4.64	-70.28
C[C@@H](C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025154649	0	54	0.0	-71.62	412.90	4.18	-67.44
CN(C(=O)CN=[N+]=[N-])C1CCCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025154652	0	45	0.0	-22.32	374.18	-0.62	-22.94
C[C@@H](C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025154670	0	54	0.0	-71.62	412.90	4.18	-67.44
CN(C(=O)C[NH+]1CCC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154688	1	52	0.0	-73.43	406.46	4.20	-69.23
C[C@H](C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025154699	0	54	0.0	-71.76	412.27	4.10	-67.66
CC1C[NH+](CC(=O)N(C)C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025154705	1	55	0.0	-73.14	427.32	4.86	-68.28
CC[N@H+](C)CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154722	0	54	0.0	-72.54	414.10	4.46	-68.08
CC[N@@H+](C)CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154722	1	54	0.0	-68.27	415.82	4.48	-63.79
CN(C(=O)C=CC[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154738	0	55	0.0	-80.12	432.76	5.06	-75.06
CC[N@@H+]1CCC1C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154744	1	55	0.0	-67.72	428.19	4.67	-63.05
CC[N@H+]1CCC1C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154744	1	55	0.0	-66.18	420.46	4.41	-61.77
CN(C(=O)C(C)(C)[NH+](C)C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154757	0	57	0.0	-79.50	414.75	4.66	-74.84
CN(C(=O)C1([NH+](C)C)CC1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154779	0	55	0.0	-69.01	418.92	4.24	-64.77
CC(C[NH+](C)C)C(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154801	0	57	0.0	-78.86	434.44	4.85	-74.01
CC1CC[N@@H+]1CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154810	1	55	0.0	-72.11	427.71	4.87	-67.24
CC1CC[N@H+]1CC(=O)N(C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154810	1	55	0.0	-66.51	422.93	4.57	-61.94
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300025154919	0	55	0.0	-60.15	423.15	4.73	-55.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300025154919	1	55	0.0	-74.17	416.32	4.28	-69.89
CCC(C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025154990	0	57	0.0	-70.48	422.54	4.67	-65.81
CCC[N@H+](C)CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154994	0	57	0.0	-70.60	435.60	5.18	-65.42
CCC[N@@H+](C)CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154994	1	57	0.0	-74.94	436.44	5.18	-69.76
CC[N@H+](C)CCC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155011	0	57	0.0	-76.26	437.31	5.04	-71.22
CC[N@@H+](C)CCC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155011	1	57	0.0	-76.87	438.00	5.07	-71.80
CC[C@@H](C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025155051	0	57	0.0	-61.06	426.42	4.85	-56.21
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	REAL300025155097	0	55	0.0	-71.44	420.89	4.63	-66.81
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	REAL300025155097	1	55	0.0	-73.73	417.12	4.38	-69.35
C[C@@H](C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025155151	0	54	0.0	-64.23	411.66	4.12	-60.11
CC1C[NH+](CC(=O)N2CCCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025155175	1	55	0.0	-71.17	426.95	4.93	-66.24
CC[N@H+](C)CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155193	0	54	0.0	-74.45	414.95	4.44	-70.01
CC[N@@H+](C)CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155193	1	54	0.0	-70.40	414.08	4.43	-65.97
CC(C[NH+](C)C)C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155223	0	57	0.0	-69.89	432.32	4.88	-65.01
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2([NH+](C)C)CC2)CC1	REAL300025155226	0	55	0.0	-76.39	417.10	4.16	-72.23
C[C@H](C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025155230	0	54	0.0	-66.02	414.18	4.13	-61.89
CC[N@@H+]1CCC1C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155233	1	55	0.0	-71.88	421.36	4.46	-67.42
CC[N@H+]1CCC1C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155233	1	55	0.0	-73.71	429.16	4.77	-68.94
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C(C)(C)[NH+](C)C)CC1	REAL300025155241	0	57	0.0	-74.97	415.79	4.24	-70.73
CN(C(=O)CSC1=NC(=O)NN1)C1CCCN(C(=O)CN=[N+]=[N-])CC1	REAL300025155287	0	45	0.0	-22.96	374.19	-0.63	-23.59
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300025155300	0	55	0.0	-65.89	416.26	4.32	-61.57
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300025155300	1	55	0.0	-71.36	419.51	4.62	-66.74
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@H+](C)C2CC2)CC1	REAL300025155337	0	55	0.0	-72.70	427.32	5.21	-67.49
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[N@@H+](C)C2CC2)CC1	REAL300025155337	1	55	0.0	-72.08	427.17	5.20	-66.88
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)CC2C[NH+](C)C2)CC1	REAL300025155365	0	55	0.0	-75.58	429.32	4.67	-70.91
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+](C)C)CC1	REAL300025155368	0	51	0.0	-75.31	397.23	3.78	-71.53
C[C@@H](C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025155371	0	54	0.0	-64.23	411.66	4.12	-60.11
CC1CC[N@@H+]1CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155378	1	55	0.0	-73.41	428.54	4.85	-68.56
CC1CC[N@H+]1CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155378	1	55	0.0	-70.73	427.69	4.85	-65.88
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C=CC[NH+](C)C)CC1	REAL300025155379	0	55	0.0	-75.55	433.01	5.04	-70.51
CC[NH+](CC)CC(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155385	0	57	0.0	-72.73	433.31	5.12	-67.61
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C[NH+]2CCC2)CC1	REAL300025155386	1	52	0.0	-71.05	406.47	4.19	-66.86
CC(C(=O)N1CCCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025155408	1	55	0.0	-66.02	426.16	4.71	-61.31
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155476	0	55	0.0	-67.28	416.22	4.31	-62.97
CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155476	1	55	0.0	-65.31	419.22	4.55	-60.76
C[NH+](C)CC(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025155567	0	53	0.0	-75.33	410.98	2.46	-72.87
[N-]=[N+]=NCC(=O)N1CCOC2(CCN(C(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025155572	0	47	0.0	-24.18	387.98	-1.96	-26.14
[N-]=[N+]=NCC(=O)N1CCC2(CC1)CN(C(=O)CSC1=NC(=O)NN1)CCO2	REAL300025155631	0	47	0.0	-24.32	387.97	-1.96	-26.28
C[NH+](C)CC(=O)N1CCC2(CC1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025155638	0	53	0.0	-73.77	411.01	2.44	-71.33
C[NH+](C)CC(=O)N1CCC2(CC1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025155675	0	53	0.0	-73.77	411.01	2.44	-71.33
[N-]=[N+]=NCC(=O)N1CCC2(CC1)CN(C(=O)CSC1=NC(=O)NN1)CCO2	REAL300025155680	0	47	0.0	-24.32	387.97	-1.96	-26.28
[N-]=[N+]=NCC(=O)N1CCOC2(CCN(C(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025155739	0	47	0.0	-24.18	387.98	-1.96	-26.14
C[NH+](C)CC(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025155746	0	53	0.0	-75.33	410.98	2.46	-72.87
CCC(=O)NCCCCC[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155759	1	54	0.0	-79.21	433.83	3.00	-76.21
CC(=O)NCCCCC[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155760	1	51	0.0	-79.55	413.52	2.19	-77.36
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](CCCCCNC(=O)C2CC2)CC1	REAL300025155761	1	55	0.0	-79.05	443.88	3.73	-75.32
CCCC(=O)NCCCCC[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155762	1	57	0.0	-79.03	455.33	3.76	-75.27
CC(C)C(=O)NCCCCC[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155763	1	57	0.0	-79.02	453.38	3.67	-75.35
NC(=O)C(=O)NCCCCC[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155764	1	52	0.0	-77.98	429.18	-1.68	-79.66
C=CCC(=O)NCCCCC[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155765	1	55	0.0	-79.55	446.74	3.54	-76.01
O=C(CO)NCCCCC[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155766	1	52	0.0	-84.15	424.30	0.08	-84.07
CCCC(=O)N1CC[NH+](CCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155767	0	57	0.0	-81.64	454.87	3.68	-77.96
CC(C)C(=O)N1CC[NH+](CCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155768	0	57	0.0	-81.52	452.93	3.48	-78.04
CCC(=O)N1CC[NH+](CCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155769	0	54	0.0	-81.70	433.37	2.92	-78.78
CC(=O)N1CC[NH+](CCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155770	0	51	0.0	-81.53	413.52	2.18	-79.35
O=C(CSC1=NNC(=O)[N-]1)NCCCCC[NH+]1CCN(C(=O)C2CC2)CC1	REAL300025155771	0	55	0.0	-80.85	443.81	3.69	-77.16
NC(=O)C(=O)N1CC[NH+](CCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155772	1	52	0.0	-77.40	426.59	-1.79	-79.19
O=C(CSC1=NNC(=O)[N-]1)NCCCCC[NH+]1CCN(C(=O)CO)CC1	REAL300025155773	0	52	0.0	-87.08	423.84	0.02	-87.06
CC(=O)C(=O)N1CC[NH+](CCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155774	1	53	0.0	-76.94	432.65	1.97	-74.97
CC=CC(=O)N1CC[NH+](CCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155775	0	55	0.0	-81.00	446.32	3.54	-77.46
C=CCC(=O)N1CC[NH+](CCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155776	0	55	0.0	-82.43	446.28	3.46	-78.97
N#CCC(=O)N1CC[NH+](CCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155777	0	52	0.0	-95.27	432.83	2.59	-92.68
C=CC(=O)N1CC[NH+](CCCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155778	0	52	0.0	-81.18	424.60	2.66	-78.52
CC=CC(=O)NCCCCC[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155779	1	55	0.0	-79.09	447.40	3.61	-75.48
CCN(C(=O)C1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025155934	0	49	0.0	-70.66	390.24	2.58	-68.08
CCN(C(=O)C1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025155934	1	49	0.0	-66.98	386.42	3.12	-63.86
CCN(C(=O)C1CCC[N@@H+]1C(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156102	0	55	0.0	-63.90	409.73	4.36	-59.54
CCN(C(=O)C1CCC[N@H+]1C(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156102	1	55	0.0	-64.41	411.87	4.47	-59.94
CCN(C(=O)CN1C=C[NH+]=C1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156125	1	47	0.0	-58.98	393.64	4.62	-54.36
CCN(C(=O)C1C[NH+]2CCC1CC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156145	0	53	0.0	-75.43	407.44	3.37	-72.06
CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156173	0	52	0.0	-77.93	402.79	2.78	-75.15
CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156173	1	52	0.0	-76.31	405.18	2.81	-73.50
CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025156175	0	55	0.0	-72.15	425.40	3.41	-68.74
CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025156175	1	55	0.0	-72.76	427.46	3.82	-68.94
CCN(C(=O)C1C[N@H+](CC)CCO1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156180	1	53	0.0	-71.35	411.99	2.37	-68.98
CCN(C(=O)C1C[N@@H+](CC)CCO1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156180	1	53	0.0	-82.84	418.32	2.70	-80.14
CCN(C(=O)C[NH+]1C(C)CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156225	0	55	0.0	-65.36	422.04	4.54	-60.82
CCN(C(=O)CCC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156227	0	55	0.0	-75.24	436.53	4.31	-70.93
CCN(C(=O)CC[NH+]1CCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156230	0	55	0.0	-75.87	430.25	4.18	-71.69
CCN(C(=O)C1CCCC[N@@H+]1CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156233	0	55	0.0	-67.68	414.74	3.43	-64.25
CCN(C(=O)C1CCCC[N@H+]1CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156233	1	55	0.0	-67.21	414.55	3.37	-63.84
CCN(C(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156243	0	52	0.0	-65.11	382.91	3.50	-61.61
CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156249	0	54	0.0	-72.94	409.51	3.06	-69.88
CCN(C(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156267	0	52	0.0	-72.76	412.83	3.71	-69.05
CCN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156267	1	52	0.0	-72.63	412.95	3.73	-68.90
C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156321	1	51	0.0	-66.38	412.24	4.34	-62.04
C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156321	1	51	0.0	-68.99	419.57	3.84	-65.15
CCN(C(=O)CCC1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156326	0	55	0.0	-73.84	428.55	3.81	-70.03
CCN(C(=O)CCC1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156326	1	55	0.0	-78.07	430.26	4.10	-73.97
CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156342	0	52	0.0	-74.55	410.59	3.27	-71.28
CCN(C(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156369	0	52	0.0	-67.98	408.75	3.34	-64.64
CCN(C(=O)C1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156369	1	52	0.0	-73.35	395.25	2.77	-70.58
CCN(C(=O)CC[NH+]1CCOCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156422	1	53	0.0	-79.29	421.97	1.79	-77.50
CCN(C(=O)CN1C=[NH+]C=C1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156434	1	47	0.0	-73.69	395.41	4.07	-69.62
CCN(C(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156450	0	53	0.0	-69.37	399.97	2.96	-66.41
CCN(C(=O)CC1CC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156455	0	52	0.0	-76.04	412.86	3.38	-72.66
CCN(C(=O)CC1CC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156455	1	52	0.0	-68.94	411.70	4.69	-64.25
CCC(C(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025156461	0	51	0.0	-67.07	396.28	3.66	-63.41
CCN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156508	0	54	0.0	-70.65	430.36	5.27	-65.38
CCN(C(=O)C(C(C)C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156519	0	54	0.0	-66.82	411.12	4.39	-62.43
CCC[N@H+](C)CCC(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156520	0	54	0.0	-77.44	428.62	3.62	-73.82
CCC[N@@H+](C)CCC(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156520	1	54	0.0	-77.18	428.28	3.72	-73.46
CCC[N@H+](C)CC(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156523	0	51	0.0	-74.71	405.93	3.15	-71.56
CCC[N@@H+](C)CC(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156523	1	51	0.0	-74.71	405.94	3.15	-71.56
CCN(C(=O)C12CC[N@H+](C1)CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156536	0	53	0.0	-80.37	394.26	2.48	-77.89
CCN(C(=O)C12CC[N@@H+](C1)CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156536	1	53	0.0	-71.96	401.02	2.58	-69.38
CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156558	0	49	0.0	-68.61	394.18	2.59	-66.02
CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156558	1	49	0.0	-73.25	387.27	2.22	-71.03
CCN(C(=O)C[NH+](CC)CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156585	0	51	0.0	-66.07	401.20	4.47	-61.60
CCN(C(=O)C[NH+]1CCC(C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156638	0	55	0.0	-69.32	426.85	5.49	-63.83
CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156656	0	52	0.0	-72.61	411.46	3.11	-69.50
CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156702	0	52	0.0	-74.55	410.59	3.27	-71.28
CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156717	0	54	0.0	-72.83	411.80	3.40	-69.43
CCC(C(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025156744	0	57	0.0	-63.93	425.19	4.74	-59.19
CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156774	0	51	0.0	-76.54	407.12	2.88	-73.66
CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156774	1	51	0.0	-76.36	406.80	3.01	-73.35
CCN(C(=O)C[N@@H+]1CCCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156797	0	52	0.0	-71.25	405.65	3.02	-68.23
CCN(C(=O)C[N@H+]1CCCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156797	1	52	0.0	-71.19	404.16	3.13	-68.06
CCN(C(=O)C[N@@H+]1CCC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156798	0	52	0.0	-73.97	412.57	3.49	-70.48
CCN(C(=O)C[N@H+]1CCC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156798	1	52	0.0	-73.51	412.85	3.40	-70.11
CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156800	0	55	0.0	-74.26	432.41	3.87	-70.39
CCN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156800	1	55	0.0	-74.09	431.93	3.96	-70.13
CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156801	0	57	0.0	-66.39	434.23	5.57	-60.82
CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156801	1	57	0.0	-74.55	434.91	4.15	-70.40
CC[C@@H](C(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025156808	0	51	0.0	-71.15	394.34	2.55	-68.60
CCN(C(=O)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156880	0	45	0.0	-66.39	365.00	3.10	-63.29
CCN(C(=O)C[NH+]1CCCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156883	0	55	0.0	-66.37	416.07	5.16	-61.21
CCN(C(=O)C[N+]1=CN(C)C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156886	0	47	0.0	-71.69	397.94	5.26	-66.43
CCN(C(=O)C1CCC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156890	0	52	0.0	-71.95	408.99	3.11	-68.84
CCN(C(=O)C1CCC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156890	1	52	0.0	-66.14	402.35	3.35	-62.79
CCN(C(=O)C1CCC[N@@H+]1C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156895	0	53	0.0	-72.35	418.34	3.69	-68.66
CCN(C(=O)C1CCC[N@H+]1C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156895	1	53	0.0	-65.81	422.08	3.99	-61.82
CCN(C(=O)C(C)[NH+]1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156907	0	49	0.0	-68.74	395.34	2.58	-66.16
CCC(CC(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025156911	0	57	0.0	-68.14	436.33	5.60	-62.54
CCN(C(=O)C(C)(C)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156916	0	54	0.0	-73.08	403.42	3.83	-69.25
CCN(C(=O)C[NH+]1CCC(O)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156927	0	53	0.0	-71.85	416.87	1.53	-70.32
CCN(C(=O)C[N@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156928	0	49	0.0	-71.56	395.97	3.16	-68.40
CCN(C(=O)C[N@@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156928	1	49	0.0	-71.51	395.98	3.16	-68.35
CCN(C(=O)CC1C[NH+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156942	0	49	0.0	-65.98	396.44	3.95	-62.03
CCN(C(=O)C1CC[N@@H+]1C(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156952	0	55	0.0	-65.88	405.34	3.66	-62.22
CCN(C(=O)C1CC[N@H+]1C(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156952	1	55	0.0	-70.70	413.36	2.53	-68.17
CCN(C(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156962	0	48	0.0	-69.33	384.43	2.02	-67.31
CCN(C(=O)CN=[N+]=[N-])C1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025156969	0	39	0.0	-24.56	343.98	-2.76	-27.32
CCN(C(=O)CN1C=CSC1=[NH2+])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157011	0	45	0.0	-60.31	391.28	3.19	-57.12
CCN(C(=O)CC[N@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157016	0	52	0.0	-75.96	417.14	-0.24	-76.20
CCN(C(=O)CC[N@@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157016	1	52	0.0	-75.70	417.16	-0.23	-75.93
CCN(C(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157017	0	48	0.0	-69.33	384.43	2.02	-67.31
CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157020	0	52	0.0	-74.96	407.92	4.22	-70.74
CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157020	1	52	0.0	-73.32	395.25	2.77	-70.55
CCN(C(=O)C[NH+]1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157065	1	46	0.0	-75.16	375.42	2.15	-73.01
CCN(C(=O)C=C1CC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157079	0	50	0.0	-77.65	405.88	3.39	-74.26
CCN(C(=O)C=C1CC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157079	1	50	0.0	-77.60	405.89	3.38	-74.22
CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157099	0	52	0.0	-63.95	420.85	3.97	-59.98
C=CCC(C)(C(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025157110	0	55	0.0	-63.81	403.42	3.91	-59.90
CCN(C(=O)C1(C)CC(O)C[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157127	0	53	0.0	-72.93	400.36	-0.97	-73.90
CCN(C(=O)CN1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157144	0	49	0.0	-74.75	397.98	2.83	-71.92
CCN(C(=O)C[NH+]1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157144	1	49	0.0	-74.75	397.98	2.83	-71.92
CCN(C(=O)C[N@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157161	1	49	0.0	-75.24	394.76	-0.82	-76.06
CCN(C(=O)C[N@@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157161	1	49	0.0	-75.02	395.79	-0.81	-75.83
CCN(C(=O)C1CCC[N@H+](CC)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157180	0	55	0.0	-65.88	422.35	4.08	-61.80
CCN(C(=O)C1CCC[N@@H+](CC)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157180	1	55	0.0	-70.18	429.43	3.93	-66.25
CCN(C(=O)CC(C)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157182	0	54	0.0	-67.73	422.01	5.15	-62.58
CCN(C(=O)C[N@H+](C)CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157185	0	48	0.0	-74.30	384.40	2.42	-71.88
CCN(C(=O)C[N@@H+](C)CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157185	1	48	0.0	-74.36	384.44	2.41	-71.95
CCN(C(=O)C[N@H+](CC)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157209	0	52	0.0	-63.24	401.45	4.73	-58.51
CCN(C(=O)C[N@@H+](CC)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157209	1	52	0.0	-70.83	415.31	3.79	-67.04
CCN(C(=O)CC[NH+](CC)CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157217	0	54	0.0	-68.59	418.59	4.79	-63.80
CCN(C(=O)C=C1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157224	0	53	0.0	-74.84	420.05	4.08	-70.76
CCN(C(=O)C[NH+]1CC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157231	1	52	0.0	-74.80	417.12	3.31	-71.49
CCN(C(=O)C[N@@H+]1CCC(C)(O)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157247	0	53	0.0	-75.02	423.24	0.16	-74.86
CCN(C(=O)C[N@H+]1CCC(C)(O)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157247	1	53	0.0	-73.54	422.76	0.16	-73.38
CCN(C(=O)C=CC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157250	0	49	0.0	-71.75	403.20	4.45	-67.30
CCN(C(=O)C[N@H+](C)CCOC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157263	1	52	0.0	-75.47	417.01	1.58	-73.89
CCN(C(=O)C[N@@H+](C)CCOC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157263	1	52	0.0	-74.79	418.04	1.61	-73.18
CCN(C(=O)C1([NH+](C)C)CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157280	0	55	0.0	-77.31	405.62	3.39	-73.92
CCN(C(=O)CCC(C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157282	0	54	0.0	-65.53	422.27	4.88	-60.65
CCN(C(=O)C1CC[N@@H+]1CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157288	1	49	0.0	-71.84	389.68	2.39	-69.45
CCN(C(=O)C1CC[N@H+]1CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157288	1	49	0.0	-67.47	392.71	3.53	-63.94
CCN(C(=O)C[N@@H+]1CCCC1CO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157298	0	53	0.0	-62.88	409.95	1.56	-61.32
CCN(C(=O)C[N@H+]1CCCC1CO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157298	1	53	0.0	-73.48	421.51	0.29	-73.19
CCN(C(=O)C1(C)CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157314	0	55	0.0	-76.40	414.32	4.12	-72.28
C=CCC(C(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025157330	0	52	0.0	-66.91	411.02	4.16	-62.75
CCN(C(=O)C1CC(C)(C)C[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157337	0	55	0.0	-70.99	427.90	3.75	-67.24
CCN(C(=O)C1CC(C)(C)C[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157337	1	55	0.0	-67.85	433.21	3.77	-64.08
CCN(C(=O)CCCCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157339	0	57	0.0	-69.86	451.85	6.06	-63.80
CCN(C(=O)C[NH+]1CC2CC2C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157344	0	50	0.0	-74.70	402.05	3.62	-71.08
CCCC(C(=O)N(CC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025157356	0	54	0.0	-67.57	417.77	4.42	-63.15
CCN(C(=O)C(C)(C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157359	0	51	0.0	-68.78	379.40	2.94	-65.84
CCN(C(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157382	0	52	0.0	-67.98	408.75	3.34	-64.64
CCN(C(=O)C1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157382	1	52	0.0	-73.35	395.25	2.77	-70.58
CCN(C(=O)CC1=CC[N@H+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157401	0	53	0.0	-58.16	423.22	5.38	-52.78
CCN(C(=O)CC1=CC[N@@H+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157401	1	53	0.0	-71.26	426.15	4.00	-67.26
CCN(C(=O)C=CC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157431	0	53	0.0	-70.59	428.28	5.62	-64.97
CCN(C(=O)C1([NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157457	0	49	0.0	-69.52	379.93	3.14	-66.38
CCN(C(=O)CC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157458	0	52	0.0	-76.42	413.43	3.40	-73.02
CCN(C(=O)C1C[NH+]2CCN1CC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157479	0	52	0.0	-73.06	395.38	0.76	-72.30
CCN(C(=O)C12CC(C1)C[N@@H+]2C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157483	0	50	0.0	-75.02	388.84	2.53	-72.49
CCN(C(=O)C12CC(C1)C[N@H+]2C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157483	1	50	0.0	-74.42	387.12	2.80	-71.62
CCN(C(=O)C[N@@H+]1CC2CCC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157488	0	53	0.0	-72.43	413.01	3.85	-68.58
CCN(C(=O)C[N@H+]1CC2CCC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157488	1	53	0.0	-72.67	413.13	3.74	-68.93
CCN(C(=O)C[N@@H+]1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157523	1	51	0.0	-66.15	403.44	5.00	-61.15
CCN(C(=O)C[N@H+]1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157523	1	51	0.0	-70.94	405.67	3.60	-67.34
CCN(C(=O)C(C)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157553	0	51	0.0	-74.70	402.31	3.72	-70.98
CCN(C(=O)CC1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157592	0	55	0.0	-56.89	415.96	5.12	-51.77
CCN(C(=O)CC1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157592	1	55	0.0	-68.07	418.46	3.84	-64.23
CCN(C(=O)C(C)[NH+]1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157601	0	52	0.0	-68.92	417.19	3.30	-65.62
CCN(C(=O)C[N@@H+]1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157603	1	49	0.0	-65.07	395.45	4.08	-60.99
CCN(C(=O)C[N@H+]1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157603	1	49	0.0	-73.65	398.28	2.72	-70.93
CCN(C(=O)CC(O)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157605	0	52	0.0	-71.59	417.47	1.98	-69.61
CCN(C(=O)C1C[N@H+](C)CC(C)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157622	1	53	0.0	-85.98	415.17	2.36	-83.62
CCN(C(=O)C1C[N@@H+](C)CC(C)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157622	1	53	0.0	-78.41	416.70	2.81	-75.60
CCN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157660	0	52	0.0	-75.29	414.71	3.43	-71.86
CCN(C(=O)C(C)CC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157664	0	54	0.0	-80.18	424.10	4.24	-75.94
CCN(C(=O)CN1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157679	1	54	0.0	-63.46	424.01	2.58	-60.88
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300025157849	0	49	0.0	-59.60	392.77	4.91	-54.69
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+]2C)C1	REAL300025157849	1	49	0.0	-72.35	385.30	2.25	-70.10
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300025157875	1	50	0.0	-73.38	392.47	1.91	-71.47
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300025157875	1	50	0.0	-86.56	402.15	2.04	-84.52
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300025158023	1	53	0.0	-78.05	422.29	1.71	-76.34
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300025158031	0	53	0.0	-75.76	402.49	3.35	-72.41
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300025158054	0	52	0.0	-76.98	413.01	3.38	-73.60
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300025158054	1	52	0.0	-76.12	413.50	3.35	-72.77
CCC(C(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025158060	0	51	0.0	-56.73	384.88	4.05	-52.68
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCCC[NH+](C)C)C1	REAL300025158092	0	54	0.0	-76.40	432.05	3.93	-72.47
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C(C)C)[NH+](C)C)C1	REAL300025158105	0	54	0.0	-72.09	410.24	3.65	-68.44
CCC[N@H+](C)CCC(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025158106	0	54	0.0	-75.82	428.30	3.76	-72.06
CCC[N@@H+](C)CCC(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025158106	1	54	0.0	-75.90	428.30	3.77	-72.13
CCC[N@H+](C)CC(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025158109	0	51	0.0	-56.17	403.33	4.50	-51.67
CCC[N@@H+](C)CC(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025158109	1	51	0.0	-56.55	403.34	4.49	-52.06
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025158122	0	53	0.0	-69.04	395.22	4.03	-65.01
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025158122	1	53	0.0	-74.82	402.95	2.71	-72.11
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300025158147	0	55	0.0	-73.10	429.29	4.28	-68.82
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300025158184	0	52	0.0	-75.02	417.62	3.47	-71.55
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[N@H+](C)CC)C1	REAL300025158201	0	51	0.0	-75.23	407.12	2.92	-72.31
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[N@@H+](C)CC)C1	REAL300025158201	1	51	0.0	-60.78	404.21	4.31	-56.47
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300025158213	0	53	0.0	-81.35	406.61	3.48	-77.87
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025158251	0	52	0.0	-79.33	408.70	3.23	-76.10
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	REAL300025158266	0	54	0.0	-58.18	410.94	5.63	-52.55
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300025158329	0	52	0.0	-75.51	396.94	2.85	-72.66
CCC(C(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025158356	0	57	0.0	-71.39	428.26	4.17	-67.22
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300025158365	0	52	0.0	-69.88	411.64	3.46	-66.42
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300025158365	1	52	0.0	-69.29	405.37	3.15	-66.14
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+]2C(C)C)C1	REAL300025158392	0	55	0.0	-60.55	415.88	5.60	-54.95
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+]2C(C)C)C1	REAL300025158392	1	55	0.0	-68.86	417.62	4.01	-64.85
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	REAL300025158399	0	54	0.0	-54.28	408.13	4.97	-49.31
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300025158409	0	52	0.0	-55.11	410.29	4.80	-50.31
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300025158409	1	52	0.0	-72.10	412.80	3.53	-68.57
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300025158411	0	55	0.0	-55.70	429.78	5.32	-50.38
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300025158411	1	55	0.0	-55.95	429.09	5.30	-50.65
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300025158412	0	57	0.0	-72.27	437.24	4.39	-67.88
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300025158412	1	57	0.0	-72.47	434.91	4.20	-68.27
CC[C@@H](C(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025158419	0	51	0.0	-58.04	386.56	4.06	-53.98
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2C=C[NH+]=C2C)C1	REAL300025158499	1	47	0.0	-69.52	396.42	3.29	-66.23
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@H+](CC)CCO2)C1	REAL300025158542	1	53	0.0	-81.43	417.83	2.68	-78.75
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@@H+](CC)CCO2)C1	REAL300025158542	1	53	0.0	-78.46	412.45	2.59	-75.87
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2C=[NH+]C=C2C)C1	REAL300025158562	1	47	0.0	-72.07	396.47	4.14	-67.93
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300025158567	0	52	0.0	-74.39	403.84	3.14	-71.25
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300025158567	1	52	0.0	-75.12	408.85	3.03	-72.09
CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025158569	0	55	0.0	-74.49	419.76	3.31	-71.18
CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025158569	1	55	0.0	-75.59	428.94	3.67	-71.92
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300025158574	0	55	0.0	-68.55	423.47	3.62	-64.93
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300025158576	0	55	0.0	-74.70	435.25	4.12	-70.58
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300025158580	0	55	0.0	-74.41	430.71	4.23	-70.18
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@@H+]2CC)C1	REAL300025158583	0	55	0.0	-68.71	425.82	3.97	-64.74
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@H+]2CC)C1	REAL300025158583	1	55	0.0	-53.11	412.14	4.90	-48.21
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300025158663	0	52	0.0	-55.86	410.35	5.07	-50.79
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300025158663	1	52	0.0	-70.77	412.81	3.77	-67.00
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025158687	0	52	0.0	-79.33	408.70	3.23	-76.10
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300025158709	0	49	0.0	-69.52	391.89	2.59	-66.93
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300025158709	1	49	0.0	-72.44	385.24	2.25	-70.19
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025158726	1	51	0.0	-59.22	409.74	4.73	-54.49
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025158726	1	51	0.0	-70.18	417.80	4.00	-66.18
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300025158731	0	55	0.0	-73.72	428.77	3.71	-70.01
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300025158731	1	55	0.0	-76.18	434.08	4.29	-71.89
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025158794	0	52	0.0	-70.37	396.88	2.96	-67.41
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025158794	1	52	0.0	-54.06	394.63	4.25	-49.81
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300025158843	0	52	0.0	-73.57	410.94	3.23	-70.34
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300025158843	1	52	0.0	-74.37	404.35	2.98	-71.39
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300025158893	0	55	0.0	-68.45	425.96	3.49	-64.96
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300025158893	1	55	0.0	-72.07	405.48	2.67	-69.40
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025158906	0	48	0.0	-70.25	381.73	2.14	-68.11
C=CCC(C)(C(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025158918	0	55	0.0	-66.63	414.53	3.37	-63.26
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025158930	0	52	0.0	-74.56	415.04	3.53	-71.03
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)CCO)C1	REAL300025158938	1	49	0.0	-73.34	394.79	-0.78	-74.12
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)CCO)C1	REAL300025158938	1	49	0.0	-73.54	394.54	-0.77	-74.31
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300025158984	0	53	0.0	-72.79	425.83	4.11	-68.68
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300025158984	1	53	0.0	-71.37	426.09	4.03	-67.34
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300025159002	0	53	0.0	-69.21	413.30	-0.57	-69.78
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300025159002	1	53	0.0	-78.75	406.84	-0.56	-79.31
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC(C)C2)C1	REAL300025159028	1	49	0.0	-73.02	398.00	2.87	-70.15
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+](CC)C2)C1	REAL300025159034	0	55	0.0	-60.38	415.14	5.09	-55.29
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+](CC)C2)C1	REAL300025159034	1	55	0.0	-70.01	429.03	3.95	-66.06
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025159045	0	53	0.0	-68.02	421.40	4.20	-63.82
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025159045	1	53	0.0	-69.50	417.64	3.54	-65.96
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300025159066	0	53	0.0	-77.48	427.45	3.96	-73.52
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)CC)C1	REAL300025159103	0	48	0.0	-72.70	384.44	2.47	-70.23
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CC3C=CC2C3)C1	REAL300025159132	0	51	0.0	-54.73	403.67	5.06	-49.67
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300025159132	1	51	0.0	-69.62	405.99	3.55	-66.07
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300025159132	1	51	0.0	-69.62	405.99	3.55	-66.07
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300025159176	0	52	0.0	-76.74	399.50	1.43	-75.31
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)CCOC)C1	REAL300025159207	1	52	0.0	-74.33	417.36	1.54	-72.79
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)CCOC)C1	REAL300025159207	1	52	0.0	-73.38	417.08	1.65	-71.73
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC(C)[NH+](C)C)C1	REAL300025159210	0	54	0.0	-78.08	419.82	3.50	-74.58
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=C2CC[NH+](C)CC2)C1	REAL300025159218	0	53	0.0	-75.98	422.00	4.06	-71.92
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](CC)C2CC2)C1	REAL300025159223	0	52	0.0	-70.18	412.82	3.78	-66.40
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](CC)C2CC2)C1	REAL300025159223	1	52	0.0	-69.19	415.30	3.82	-65.37
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300025159248	0	50	0.0	-72.14	394.01	2.86	-69.28
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300025159248	1	50	0.0	-76.71	394.90	2.99	-73.72
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300025159255	0	53	0.0	-53.94	410.77	5.18	-48.76
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300025159255	1	53	0.0	-70.15	411.28	3.62	-66.53
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)C[NH+](C)C)C1	REAL300025159268	0	51	0.0	-49.59	398.61	4.21	-45.38
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CC2)C1	REAL300025159276	0	49	0.0	-75.51	391.81	2.52	-72.99
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300025159292	0	48	0.0	-53.99	379.31	3.41	-50.58
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@@H+]2CC)C1	REAL300025159296	1	49	0.0	-58.04	396.04	4.09	-53.95
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@H+]2CC)C1	REAL300025159296	1	49	0.0	-70.53	392.11	2.42	-68.11
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)[NH2+]C(C)(C)CC)C1	REAL300025159302	0	57	0.0	-56.67	421.58	3.50	-53.17
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300025159325	0	45	0.0	-75.07	374.41	-0.23	-75.30
CCCC(C(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025159332	0	54	0.0	-62.59	409.21	4.75	-57.84
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300025159336	0	51	0.0	-76.45	392.37	2.42	-74.03
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)CC[NH+](C)C)C1	REAL300025159349	0	54	0.0	-63.37	421.84	4.74	-58.63
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300025159397	0	55	0.0	-70.23	429.53	3.89	-66.34
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300025159397	1	55	0.0	-69.44	430.09	3.70	-65.74
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCCCC[NH+](C)C)C1	REAL300025159399	0	57	0.0	-75.54	453.55	4.71	-70.83
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300025159406	1	54	0.0	-73.52	425.71	1.26	-72.26
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300025159447	1	53	0.0	-85.57	416.06	2.83	-82.74
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300025159447	1	53	0.0	-79.41	414.10	4.33	-75.08
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025159474	0	50	0.0	-72.82	402.44	3.67	-69.15
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025159491	0	52	0.0	-70.37	396.88	2.96	-67.41
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025159491	1	52	0.0	-54.06	394.63	4.25	-49.81
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300025159549	0	50	0.0	-77.51	405.30	3.32	-74.19
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300025159549	1	50	0.0	-77.28	405.33	3.31	-73.97
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300025159551	0	48	0.0	-73.67	402.73	0.97	-72.70
CCN(C(=O)CSC1=NC(=O)NN1)C1CN(C(=O)CN=[N+]=[N-])C1	REAL300025159574	0	39	0.0	-24.65	341.95	-1.26	-25.91
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300025159601	0	55	0.0	-52.59	394.80	4.69	-47.90
CCC1C[NH+](CC(=O)N2CC(N(CC)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025159608	0	52	0.0	-73.93	419.37	3.64	-70.29
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300025159617	0	49	0.0	-70.54	385.04	2.23	-68.31
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300025159617	1	49	0.0	-70.32	390.11	2.60	-67.72
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300025159695	0	52	0.0	-72.79	415.08	3.53	-69.26
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300025159703	0	55	0.0	-79.87	440.60	4.15	-75.72
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300025159704	0	53	0.0	-77.13	419.44	3.80	-73.33
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300025159704	1	53	0.0	-65.78	414.09	3.83	-61.95
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)COCC[NH+](C)C)C1	REAL300025159732	0	52	0.0	-67.24	420.85	4.26	-62.98
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300025159756	0	45	0.0	-68.63	393.77	1.97	-66.66
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300025159812	0	52	0.0	-67.94	402.41	3.37	-64.57
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300025159812	1	52	0.0	-67.94	402.41	3.37	-64.57
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300025159813	0	55	0.0	-72.20	417.78	3.85	-68.35
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300025159816	0	47	0.0	-55.49	396.23	6.66	-48.83
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CCC(O)CC2)C1	REAL300025159835	0	53	0.0	-77.25	419.53	0.31	-76.94
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300025159835	1	53	0.0	-77.25	419.53	0.31	-76.94
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)C2CC2)C1	REAL300025159836	0	49	0.0	-69.97	395.99	3.20	-66.77
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC(C)C[NH+](C)C)C1	REAL300025159854	0	54	0.0	-66.24	422.18	5.16	-61.08
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2COCCN2C)C1	REAL300025159871	0	53	0.0	-66.51	414.77	2.89	-63.62
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300025159871	1	53	0.0	-70.68	410.10	1.35	-69.33
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2COCC[N@H+]2C)C1	REAL300025159871	1	53	0.0	-70.68	410.10	1.35	-69.33
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300025159932	0	53	0.0	-71.62	422.71	0.20	-71.42
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2C[NH+](C)C2)C1	REAL300025159953	0	49	0.0	-74.36	397.99	2.62	-71.74
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[N@H+](C)CCO)C1	REAL300025159976	0	52	0.0	-74.28	417.16	-0.18	-74.46
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[N@@H+](C)CCO)C1	REAL300025159976	1	52	0.0	-74.28	417.16	-0.18	-74.46
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300025159991	0	55	0.0	-64.87	417.05	3.86	-61.01
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300025159991	1	55	0.0	-64.87	417.05	3.86	-61.01
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CCC2C)C1	REAL300025160003	0	49	0.0	-56.65	390.79	3.96	-52.69
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300025160003	1	49	0.0	-70.36	391.23	2.61	-67.75
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC2C)C1	REAL300025160003	1	49	0.0	-70.36	391.23	2.61	-67.75
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=CC[NH+](C)C)C1	REAL300025160009	0	49	0.0	-68.27	401.01	4.30	-63.97
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CC(C)(C)C2)C1	REAL300025160014	0	52	0.0	-57.63	415.29	4.75	-52.88
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300025160014	1	52	0.0	-57.63	415.29	4.75	-52.88
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300025160048	0	53	0.0	-70.86	419.60	0.28	-70.58
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+](CC)CC)C1	REAL300025160050	0	51	0.0	-71.27	402.51	3.11	-68.16
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CCC2)C1	REAL300025160059	0	46	0.0	-57.96	375.00	3.61	-54.35
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC2)C1	REAL300025160059	1	46	0.0	-57.96	375.00	3.61	-54.35
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+](CC)CC)C1	REAL300025160087	0	54	0.0	-74.46	420.41	3.43	-71.03
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)N2CCC2)C1	REAL300025160137	0	49	0.0	-73.04	388.71	2.51	-70.53
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)[NH+]2CCC2)C1	REAL300025160137	1	49	0.0	-73.04	388.71	2.51	-70.53
CCC(CC(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025160142	0	57	0.0	-66.82	435.64	5.63	-61.19
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300025160147	0	54	0.0	-73.66	410.42	3.07	-70.59
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300025160176	0	52	0.0	-61.85	402.59	4.73	-57.12
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300025160176	1	52	0.0	-54.02	394.50	4.26	-49.76
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300025160195	0	52	0.0	-67.26	417.46	2.20	-65.06
C=CCC(C(=O)N1CC(N(CC)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025160215	0	52	0.0	-53.35	410.25	4.71	-48.64
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300025160226	0	55	0.0	-76.07	417.81	3.30	-72.77
CCN(C(=O)CSC(N)=[NH2+])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160247	0	43	0.0	-71.72	373.52	0.05	-71.67
CCN(C(=O)C1(CC[NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160270	0	55	0.0	-71.00	428.94	4.91	-66.09
CCN(C(=O)CC1CC=CC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160271	0	53	0.0	-68.34	412.87	3.76	-64.58
CCN(C(=O)CC1CC=CC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160271	1	53	0.0	-78.29	415.12	3.81	-74.48
CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160357	0	49	0.0	-68.92	395.30	2.78	-66.14
CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160357	1	49	0.0	-68.92	395.30	2.78	-66.14
CCN(C(=O)C1CC[N@H+](C)C1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160379	0	52	0.0	-74.41	406.05	2.91	-71.50
CCN(C(=O)C1CC[N@@H+](C)C1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160379	1	52	0.0	-74.41	406.05	2.91	-71.50
CCN(C(=O)CC1COCCN1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160407	0	53	0.0	-71.41	410.09	1.35	-70.06
CCN(C(=O)CC1COCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160407	1	53	0.0	-81.48	417.53	1.50	-79.98
CCN(C(=O)CC1COCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160407	1	53	0.0	-81.48	417.53	1.50	-79.98
CCN(CC1CCN(C(=O)CN2CCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025160701	0	55	0.0	-64.41	431.50	4.79	-59.62
CCN(CC1CCN(C(=O)C[NH+]2CCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025160701	1	55	0.0	-64.41	431.50	4.79	-59.62
CCN(CC1CCN(C(=O)C[N@H+](C)CC)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025160718	0	57	0.0	-63.68	439.13	5.04	-58.64
CCN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[N@H+](C)CC	REAL300025160874	0	57	0.0	-71.60	438.80	5.03	-66.57
CCN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)CN1CCC1	REAL300025160948	0	55	0.0	-72.15	431.17	4.77	-67.38
CCN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[NH+]1CCC1	REAL300025160948	1	55	0.0	-72.15	431.17	4.77	-67.38
C[N@@H+]1CCCC1C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161143	0	52	0.0	-68.92	404.31	2.36	-66.56
C[N@H+]1CCCC1C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161143	1	52	0.0	-68.92	404.31	2.36	-66.56
CC1=[NH+]C=CN1CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161303	1	50	0.0	-62.60	408.11	3.98	-58.62
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025161319	0	55	0.0	-75.46	415.86	2.93	-72.53
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025161319	1	55	0.0	-74.61	420.38	3.13	-71.48
C[N@H+](CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025161342	0	55	0.0	-69.25	426.50	3.43	-65.82
C[N@@H+](CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025161342	1	55	0.0	-69.77	426.55	3.46	-66.31
C[NH+]1CCC(C(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025161365	0	55	0.0	-72.40	421.89	3.88	-68.52
CC1=C[NH+]=CN1CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161380	1	50	0.0	-64.75	409.46	4.75	-60.00
C[N@@H+]1CCC(CC(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025161387	0	55	0.0	-75.90	426.76	3.10	-72.80
C[N@H+]1CCC(CC(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025161387	1	55	0.0	-70.61	426.15	4.06	-66.55
CCC(C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025161390	0	54	0.0	-65.80	407.59	3.51	-62.29
C[NH+](C)CCCCC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161401	0	57	0.0	-75.80	446.15	3.67	-72.13
CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161404	0	57	0.0	-75.01	441.96	3.46	-71.55
CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161404	1	57	0.0	-75.35	442.38	3.50	-71.85
CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161405	0	54	0.0	-72.15	419.97	2.88	-69.27
CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161405	1	54	0.0	-72.22	420.03	2.88	-69.34
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161417	0	52	0.0	-67.51	397.57	2.91	-64.60
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161417	1	52	0.0	-64.67	401.51	3.21	-61.46
CC[NH+](CC)CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161425	0	54	0.0	-66.69	415.41	3.76	-62.93
C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025161470	0	55	0.0	-70.90	427.11	3.92	-66.98
C[NH+]1CCC(C(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025161484	0	55	0.0	-72.40	421.89	3.88	-68.52
CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161509	0	54	0.0	-74.09	420.34	2.73	-71.36
CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161509	1	54	0.0	-74.08	420.46	2.72	-71.36
CC1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161517	0	55	0.0	-65.06	418.34	3.79	-61.27
CC1CCC[N@H+]1CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161517	1	55	0.0	-69.72	425.95	3.25	-66.47
CC1CC[N@H+](CC(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025161518	0	55	0.0	-71.26	426.12	3.16	-68.10
CC1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025161518	1	55	0.0	-68.79	425.80	4.15	-64.64
CC[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025161520	0	54	0.0	-63.20	405.53	3.17	-60.03
C[NH+](C)CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161548	0	48	0.0	-72.43	380.79	1.47	-70.96
CN1C=C[N+](CC(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025161549	0	50	0.0	-68.58	411.55	4.96	-63.62
C[N@@H+]1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025161552	0	55	0.0	-68.58	421.01	3.82	-64.76
C[N@H+]1CCCC(C(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025161552	1	55	0.0	-58.81	413.14	4.01	-54.80
CC(C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025161558	1	52	0.0	-66.38	405.35	3.26	-63.12
C[N@H+](CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025161567	0	52	0.0	-68.89	410.12	2.88	-66.01
C[N@@H+](CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025161567	1	52	0.0	-65.18	408.91	3.81	-61.37
C[NH+]1CC(CC(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025161576	0	52	0.0	-73.00	411.37	2.24	-70.76
C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025161588	0	51	0.0	-65.82	395.67	2.73	-63.09
[N-]=[N+]=NCC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NC(=O)NN1	REAL300025161595	0	42	0.0	-21.88	356.43	-2.00	-23.88
C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025161621	0	51	0.0	-65.82	395.67	2.73	-63.09
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161624	0	55	0.0	-65.37	408.93	3.44	-61.93
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161624	1	55	0.0	-64.37	419.44	4.02	-60.35
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCCN1C(=O)C[NH+]1CCC1	REAL300025161648	1	49	0.0	-68.72	389.94	2.88	-65.84
C[N@@H+]1CCC(=CC(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025161655	0	53	0.0	-68.85	417.38	3.98	-64.87
C[N@H+]1CCC(=CC(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025161655	1	53	0.0	-68.10	415.88	4.03	-64.07
C[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025161670	0	51	0.0	-65.32	395.36	2.73	-62.59
CC1C[NH+](CC(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025161685	1	52	0.0	-68.92	410.94	3.51	-65.41
C[N@H+](CCO)CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161697	1	52	0.0	-73.11	408.82	-1.10	-74.21
C[N@@H+](CCO)CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161697	1	52	0.0	-72.77	408.87	-1.07	-73.84
CC(CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025161707	0	57	0.0	-74.29	437.47	3.50	-70.79
CC[N@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161709	0	51	0.0	-68.22	397.41	3.09	-65.13
CC[N@@H+](C)CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161709	1	51	0.0	-68.24	396.78	3.10	-65.14
CC[N@H+](CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025161718	0	55	0.0	-65.27	428.05	4.43	-60.84
CC[N@@H+](CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025161718	1	55	0.0	-64.65	425.62	4.33	-60.32
CC[NH+](CC)CCC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161723	0	57	0.0	-73.97	434.42	3.18	-70.79
CC1(C)C[NH+](CC(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025161731	1	55	0.0	-69.75	430.29	4.03	-65.72
C[NH+](C)CC=CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161736	0	52	0.0	-70.82	415.46	3.67	-67.15
CC(CCC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025161749	0	57	0.0	-72.22	437.91	3.28	-68.94
CC[N@@H+]1CCC1C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161753	1	52	0.0	-68.31	410.77	3.34	-64.97
CC[N@H+]1CCC1C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161753	1	52	0.0	-71.82	411.01	2.34	-69.48
C=CCC(C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025161771	0	55	0.0	-67.36	420.55	2.87	-64.49
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCCN1C(=O)C[NH+]1CC2CC2C1	REAL300025161778	0	53	0.0	-69.38	415.26	4.28	-65.10
CCCC(C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025161782	0	57	0.0	-68.62	428.46	3.10	-65.52
C[N@@H+]1CCCCC1C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161792	0	55	0.0	-65.18	407.22	3.53	-61.65
C[N@H+]1CCCCC1C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161792	1	55	0.0	-64.43	419.48	4.01	-60.42
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCC1	REAL300025161824	0	55	0.0	-74.18	428.09	3.20	-70.98
CC(C[NH+](C)C)C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161858	0	54	0.0	-64.49	417.87	3.54	-60.95
CC(C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025161877	0	55	0.0	-65.23	428.44	3.89	-61.34
CC1CC[N@@H+]1CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161878	1	52	0.0	-69.93	406.54	2.31	-67.62
CC1CC[N@H+]1CC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161878	1	52	0.0	-70.04	406.72	2.29	-67.75
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025161905	0	55	0.0	-68.07	428.61	4.14	-63.93
CC(CC[NH+](C)C)C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025161906	0	57	0.0	-67.14	438.83	4.00	-63.14
C[N@@H+]1CCCC1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162071	0	52	0.0	-68.95	407.11	2.64	-66.31
C[N@H+]1CCCC1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162071	1	52	0.0	-71.34	400.48	2.08	-69.26
C[N@@H+]1CCOC(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025162097	1	53	0.0	-87.10	418.20	2.02	-85.08
C[N@H+]1CCOC(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025162097	1	53	0.0	-72.56	416.85	2.93	-69.63
C[N@@H+]1CCC(CC(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025162247	0	55	0.0	-61.90	426.46	4.06	-57.84
C[N@H+]1CCC(CC(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025162247	1	55	0.0	-77.14	427.15	3.15	-73.99
CCC(C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025162250	0	54	0.0	-67.20	408.38	2.66	-64.54
C[NH+](C)CCCCC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162260	0	57	0.0	-77.81	445.69	3.69	-74.12
CC(C)C(C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025162263	0	57	0.0	-70.19	428.82	3.83	-66.36
CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162264	0	57	0.0	-75.93	442.39	3.52	-72.41
CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162264	1	57	0.0	-60.75	441.05	4.43	-56.32
CCC[N@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162265	0	54	0.0	-71.78	420.03	2.98	-68.80
CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162265	1	54	0.0	-71.69	420.03	2.98	-68.71
C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025162304	0	55	0.0	-71.80	431.61	3.29	-68.51
CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162310	0	54	0.0	-75.09	420.89	2.79	-72.30
CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162310	1	54	0.0	-75.08	420.89	2.78	-72.30
C[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025162332	0	55	0.0	-61.19	424.01	4.14	-57.05
CC(C)[C@H](C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025162347	0	57	0.0	-70.83	430.89	3.66	-67.17
C[NH+](C)C1(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025162369	0	55	0.0	-79.32	413.62	3.68	-75.64
CC1CCC[N@@H+]1CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162393	0	55	0.0	-68.22	419.46	2.95	-65.27
CC1CCC[N@H+]1CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162393	1	55	0.0	-55.86	424.94	4.28	-51.58
CC(C)[C@@H](C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025162404	0	57	0.0	-69.55	428.66	3.34	-66.21
CC1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025162412	0	55	0.0	-57.47	424.99	4.18	-53.29
CC1CC[N@@H+](CC(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025162412	1	55	0.0	-70.75	426.08	3.25	-67.50
CC[C@@H](C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025162414	0	54	0.0	-59.90	412.62	3.67	-56.23
CC1=[NH+]C=CN1CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162451	1	50	0.0	-68.87	409.19	3.15	-65.72
CC1=C[NH+]=CN1CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162469	1	50	0.0	-60.67	409.22	4.83	-55.84
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025162470	0	55	0.0	-75.71	418.27	2.75	-72.96
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025162470	1	55	0.0	-65.78	422.48	3.71	-62.07
C[N@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025162500	0	55	0.0	-69.29	427.01	3.55	-65.74
C[N@@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025162500	1	55	0.0	-69.68	426.93	3.54	-66.14
C[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025162506	0	55	0.0	-61.19	424.01	4.14	-57.05
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162519	0	52	0.0	-71.86	400.46	2.08	-69.78
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162519	1	52	0.0	-54.71	404.58	3.54	-51.17
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162562	0	55	0.0	-69.39	412.76	3.00	-66.39
C[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162562	1	55	0.0	-68.17	422.65	3.15	-65.02
CC1C(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025162591	0	55	0.0	-72.23	426.73	3.13	-69.10
CC1C(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025162591	1	55	0.0	-75.39	417.92	2.61	-72.78
C[C@@H](C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025162632	0	51	0.0	-70.64	398.89	1.97	-68.67
O=C(CC[NH+]1CCCC1)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162650	0	55	0.0	-74.47	429.12	3.30	-71.17
C[N@H+](CCO)CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162655	1	52	0.0	-72.86	408.88	-0.99	-73.85
C[N@@H+](CCO)CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162655	1	52	0.0	-72.48	408.90	-0.99	-73.47
CC1C[NH+](CC(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025162698	1	52	0.0	-58.50	410.95	3.61	-54.89
CC[N@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162730	0	51	0.0	-71.61	398.53	2.24	-69.37
CC[N@@H+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162730	1	51	0.0	-71.55	398.53	2.24	-69.31
CC(CCC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025162783	0	57	0.0	-78.55	433.93	3.29	-75.26
CC[N@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025162788	0	55	0.0	-53.64	428.05	4.51	-49.13
CC[N@@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025162788	1	55	0.0	-69.16	426.74	3.58	-65.58
C[N@@H+]1CC2CC1(C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025162801	0	53	0.0	-77.84	412.62	2.80	-75.04
C[N@H+]1CC2CC1(C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025162801	1	53	0.0	-78.19	410.67	2.89	-75.30
CC(C[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162810	0	54	0.0	-61.45	418.12	3.77	-57.68
C[NH+](C)C1(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025162816	0	52	0.0	-63.33	407.83	3.65	-59.68
C[C@H](C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025162826	0	51	0.0	-69.70	398.09	2.02	-67.68
CC[N@@H+]1CCC1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162829	1	52	0.0	-71.31	403.50	2.45	-68.86
CC[N@H+]1CCC1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162829	1	52	0.0	-69.93	405.07	2.24	-67.69
NC1=CC=[NH+]C=C1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162840	0	48	0.0	-77.00	389.01	0.02	-76.98
CCCC(C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025162844	0	57	0.0	-60.13	431.11	4.19	-55.94
C[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162847	0	54	0.0	-77.75	407.84	2.83	-74.92
CC(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162856	0	57	0.0	-75.54	440.78	3.44	-72.10
O=C(C[NH+]1CC2CC2C1)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162915	0	53	0.0	-72.07	416.33	3.46	-68.61
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162923	0	55	0.0	-69.39	412.76	3.00	-66.39
C[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162923	1	55	0.0	-68.17	422.65	3.15	-65.02
C[N@@H+]1CCC(=CC(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025162948	0	53	0.0	-77.86	418.70	3.13	-74.73
C[N@H+]1CCC(=CC(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025162948	1	53	0.0	-77.76	419.74	3.11	-74.65
[N-]=[N+]=NCC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NC(=O)NN1	REAL300025162955	0	42	0.0	-22.25	356.42	-1.92	-24.17
CCC1C[NH+](CC(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025162971	1	55	0.0	-72.97	433.37	3.43	-69.54
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162976	0	52	0.0	-68.94	407.11	2.63	-66.31
C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025162976	1	52	0.0	-71.33	400.48	2.08	-69.25
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025163016	0	55	0.0	-75.21	430.44	3.29	-71.92
O=C(C[NH+]1CCCCC1)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025163057	0	55	0.0	-71.55	422.54	3.45	-68.10
C[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025163058	0	55	0.0	-64.65	419.19	3.39	-61.26
C[N@H+]1CCCC(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025163058	1	55	0.0	-74.41	425.40	3.19	-71.22
CN1C=C[N+](CC(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025163059	0	50	0.0	-70.07	412.03	5.08	-64.99
C[N@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025163069	0	52	0.0	-55.31	408.95	3.92	-51.39
C[N@@H+](CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025163069	1	52	0.0	-69.34	410.16	2.98	-66.36
CC(CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025163077	0	57	0.0	-61.60	436.02	4.47	-57.13
C[NH+]1CC(CC(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025163126	0	52	0.0	-74.86	411.91	2.31	-72.55
C[NH+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025163133	0	48	0.0	-72.25	380.80	1.57	-70.68
C[C@@H](C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025163141	0	51	0.0	-70.64	398.89	1.97	-68.67
CC(C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025163155	1	55	0.0	-69.52	428.33	3.28	-66.24
CC1CC[N@@H+]1CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025163156	1	52	0.0	-56.37	410.92	3.58	-52.79
CC1CC[N@H+]1CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025163156	1	52	0.0	-71.12	412.03	2.65	-68.47
C[NH+](C)CC=CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025163158	0	52	0.0	-79.20	416.71	2.77	-76.43
CC[NH+](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025163175	0	54	0.0	-69.83	415.60	2.90	-66.93
O=C(C[NH+]1CCC1)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025163180	1	49	0.0	-59.05	389.98	2.99	-56.06
CC[NH+](CC)CCC(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025163198	0	57	0.0	-74.51	433.82	3.19	-71.32
CC(C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025163226	1	52	0.0	-57.74	407.87	3.59	-54.15
C[NH+](C)CC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025163230	0	57	0.0	-61.30	430.02	4.20	-57.10
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025163250	0	55	0.0	-69.38	412.76	2.99	-66.39
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025163250	1	55	0.0	-67.86	421.57	3.18	-64.68
C=CCC(C(=O)NC[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025163269	0	55	0.0	-57.77	422.73	3.89	-53.88
NC(=[NH2+])SCC(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025163292	0	46	0.0	-75.98	388.78	-1.48	-77.46
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025163342	0	52	0.0	-65.14	404.28	3.26	-61.88
C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025163342	1	52	0.0	-67.51	397.93	2.94	-64.57
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCCN1C(=O)C[NH+]1CCCCC1	REAL300025163349	0	55	0.0	-71.77	422.05	3.32	-68.45
CC1C(C(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025163352	0	55	0.0	-69.73	411.15	3.99	-65.74
CC1C(C(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025163352	1	55	0.0	-74.38	414.77	2.62	-71.76
C[N@@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163552	0	50	0.0	-53.90	401.04	3.33	-50.57
C[N@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163552	1	50	0.0	-56.25	397.98	3.35	-52.90
C[N@@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025163576	1	51	0.0	-70.16	413.58	2.71	-67.45
C[N@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025163576	1	51	0.0	-71.61	414.44	2.60	-69.01
CC1=[NH+]C=CN1CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163715	1	48	0.0	-57.15	405.42	3.91	-53.24
C[C@@H]1[C@H](C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025163734	0	53	0.0	-57.07	409.49	3.30	-53.77
C[C@@H]1[C@H](C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025163734	1	53	0.0	-63.48	418.54	3.72	-59.76
C[NH+](C)C1(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025163755	0	53	0.0	-61.40	407.00	3.84	-57.56
CC(C)[C@@H](C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025163757	0	55	0.0	-59.39	422.02	3.78	-55.61
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025163767	0	53	0.0	-55.66	422.21	4.28	-51.38
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025163767	1	53	0.0	-56.96	423.16	4.13	-52.83
C[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025163793	0	53	0.0	-65.83	420.41	3.97	-61.86
C[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163799	0	53	0.0	-55.68	409.67	3.57	-52.11
C[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163799	1	53	0.0	-57.91	405.36	3.61	-54.30
CC1=C[NH+]=CN1CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163816	1	48	0.0	-56.56	405.76	4.64	-51.92
C[N@@H+]1CCC(CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025163826	0	53	0.0	-61.81	422.60	3.86	-57.95
C[N@H+]1CCC(CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025163826	1	53	0.0	-64.89	422.29	3.89	-61.00
CCC(C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025163829	0	52	0.0	-57.16	403.93	3.36	-53.80
C[NH+](C)CCCCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163843	0	55	0.0	-64.66	440.72	4.52	-60.14
CC(C)C(C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025163847	0	55	0.0	-61.78	422.14	3.83	-57.95
CCC[N@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163848	0	55	0.0	-61.29	438.05	4.18	-57.11
CCC[N@@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163848	1	55	0.0	-60.58	437.44	4.24	-56.34
CCC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163849	0	52	0.0	-56.77	415.08	3.70	-53.07
CCC[N@@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163849	1	52	0.0	-56.66	415.22	3.70	-52.96
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163864	0	50	0.0	-53.11	396.41	2.77	-50.34
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163864	1	50	0.0	-55.33	401.62	3.29	-52.04
CC[NH+](CC)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163876	0	52	0.0	-54.34	406.94	3.45	-50.89
C[NH+](C)CC1(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025163930	0	53	0.0	-51.48	429.52	3.84	-47.64
C[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025163954	0	53	0.0	-65.83	420.41	3.97	-61.86
CC(C)[C@H](C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025163969	0	55	0.0	-54.53	425.63	4.47	-50.06
CC[N@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163997	0	52	0.0	-59.86	415.95	3.52	-56.34
CC[N@@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025163997	1	52	0.0	-60.51	416.56	3.43	-57.08
CC1CCC[N@@H+]1CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164008	0	53	0.0	-53.98	421.91	3.95	-50.03
CC1CCC[N@H+]1CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164008	1	53	0.0	-55.78	422.39	3.95	-51.83
CC1CC[N@H+](CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025164009	0	53	0.0	-54.87	421.47	4.10	-50.77
CC1CC[N@@H+](CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025164009	1	53	0.0	-57.00	422.60	3.89	-53.11
CC[C@@H](C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025164011	0	52	0.0	-58.25	406.33	3.17	-55.08
C[NH+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164048	0	46	0.0	-57.01	375.36	2.37	-54.64
CN1C=C[N+](CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025164049	0	48	0.0	-57.41	406.58	5.88	-51.53
C[N@@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025164052	0	53	0.0	-61.62	418.81	3.93	-57.69
C[N@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025164052	1	53	0.0	-53.37	411.48	4.08	-49.29
CC(C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025164060	1	50	0.0	-57.72	405.24	3.21	-54.51
C[NH+](C)CC(C)(C)C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164063	0	55	0.0	-59.48	421.08	4.07	-55.41
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025164070	0	50	0.0	-55.04	405.11	3.70	-51.34
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025164070	1	50	0.0	-56.42	406.44	3.56	-52.86
C[NH+]1CC(CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025164081	0	50	0.0	-59.68	407.29	3.12	-56.56
C[C@@H](C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025164093	0	49	0.0	-58.83	394.31	2.63	-56.20
[N-]=[N+]=NCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NC(=O)NN1	REAL300025164100	0	40	0.0	-21.86	352.32	-2.03	-23.89
C[N@H+](CCO)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164132	0	53	0.0	-61.26	426.30	0.29	-60.97
C[N@@H+](CCO)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164132	1	53	0.0	-61.49	426.86	0.21	-61.28
C[C@@H](C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025164133	0	49	0.0	-58.83	394.31	2.63	-56.20
C[N@@H+]1CCCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164136	0	53	0.0	-56.65	401.87	3.76	-52.89
C[N@H+]1CCCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164136	1	53	0.0	-57.85	417.19	3.88	-53.97
C[N@@H+]1CCC(=CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025164173	0	51	0.0	-66.91	415.31	3.77	-63.14
C[N@H+]1CCC(=CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025164173	1	51	0.0	-66.71	414.34	3.80	-62.91
C[NH+](C)CCOCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164183	0	53	0.0	-63.77	431.22	3.44	-60.33
C[C@H](C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025164194	0	49	0.0	-57.53	392.30	2.79	-54.74
CC1C[NH+](CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025164211	1	50	0.0	-55.93	405.54	3.53	-52.40
C[N@H+](CCO)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164224	1	50	0.0	-56.55	404.08	-0.27	-56.82
C[N@@H+](CCO)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164224	1	50	0.0	-57.61	403.71	-0.28	-57.89
CC(CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025164236	0	55	0.0	-62.11	432.54	4.37	-57.74
CC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164238	0	49	0.0	-56.49	393.73	2.96	-53.53
CC[N@@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164238	1	49	0.0	-56.44	393.58	2.96	-53.48
CC[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025164248	0	53	0.0	-53.98	424.56	4.43	-49.55
CC[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025164248	1	53	0.0	-54.63	422.21	4.28	-50.35
CC[NH+](CC)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164254	0	55	0.0	-59.00	428.96	4.01	-54.99
C[NH+](C)CC=CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164269	0	50	0.0	-62.79	411.32	3.58	-59.21
COCC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164278	1	53	0.0	-57.91	425.96	2.13	-55.78
COCC[N@@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164278	1	53	0.0	-56.28	426.33	2.13	-54.15
CC(CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025164287	0	55	0.0	-63.41	428.70	4.11	-59.30
CC[N@@H+]1CCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164291	1	50	0.0	-55.17	401.59	2.80	-52.37
CC[N@H+]1CCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164291	1	50	0.0	-58.26	400.17	2.69	-55.57
C=CCC(C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025164316	0	53	0.0	-51.84	419.02	3.85	-47.99
O=C(C[NH+]1CC2CC2C1)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164324	0	51	0.0	-56.27	411.32	4.17	-52.10
CCCC(C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025164330	0	55	0.0	-58.77	426.48	4.12	-54.65
C[NH+](C)C(C)(C)C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164332	0	52	0.0	-60.52	401.95	3.50	-57.02
C[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164342	0	53	0.0	-55.68	409.67	3.57	-52.11
C[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164342	1	53	0.0	-57.91	405.36	3.61	-54.30
C[NH+](C)C1(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025164379	0	50	0.0	-60.73	394.73	3.18	-57.55
O=C(CC[NH+]1CCCC1)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164380	0	53	0.0	-59.32	424.18	4.03	-55.29
C[N@@H+]1CC2CC1(C(=O)NCC13CC(C1)CN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164390	0	51	0.0	-55.42	404.75	3.19	-52.23
C[N@H+]1CC2CC1(C(=O)NCC13CC(C1)CN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164390	1	51	0.0	-60.28	407.14	3.57	-56.71
CC(C[NH+](C)C)C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164426	0	52	0.0	-60.55	410.51	3.64	-56.91
CC(C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025164449	1	53	0.0	-55.46	425.77	3.90	-51.56
CC1CC[N@@H+]1CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164450	1	50	0.0	-56.01	401.93	3.08	-52.93
CC1CC[N@H+]1CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164450	1	50	0.0	-56.88	403.43	3.02	-53.86
C[NH+](C)CC(O)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164452	0	53	0.0	-64.94	427.95	1.41	-63.53
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025164482	0	53	0.0	-66.01	426.06	3.96	-62.05
CC(CC[NH+](C)C)C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025164483	0	55	0.0	-63.31	432.19	4.26	-59.05
C[N@@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164653	0	50	0.0	-64.93	399.46	2.90	-62.03
C[N@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164653	1	50	0.0	-68.24	394.84	2.76	-65.48
C[N@@H+]1CCC(CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025164827	0	53	0.0	-70.75	422.88	3.81	-66.94
C[N@H+]1CCC(CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025164827	1	53	0.0	-71.50	422.89	3.81	-67.69
CCC(C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025164830	0	52	0.0	-67.34	407.16	3.35	-63.99
C[NH+](C)CCCCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164839	0	55	0.0	-70.46	441.20	4.42	-66.04
CCC[N@H+](C)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164844	0	55	0.0	-71.04	436.96	4.30	-66.74
CCC[N@@H+](C)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164844	1	55	0.0	-71.00	436.96	4.30	-66.70
CCC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164845	0	52	0.0	-68.95	415.79	3.61	-65.34
CCC[N@@H+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164845	1	52	0.0	-68.69	415.62	3.67	-65.02
C[NH+](C)CC1(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025164875	0	53	0.0	-68.91	427.02	3.85	-65.06
CC[N@H+](C)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164880	0	52	0.0	-70.15	415.46	3.56	-66.59
CC[N@@H+](C)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164880	1	52	0.0	-70.13	415.95	3.50	-66.63
C[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025164896	0	53	0.0	-75.23	416.37	3.59	-71.64
CC1CCC[N@@H+]1CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164937	0	53	0.0	-66.52	422.30	3.91	-62.61
CC1CCC[N@H+]1CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164937	1	53	0.0	-65.14	414.85	3.60	-61.54
CC1CC[N@H+](CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025164952	0	53	0.0	-68.66	421.35	3.95	-64.71
CC1CC[N@@H+](CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025164952	1	53	0.0	-68.64	422.78	3.70	-64.94
CC[C@@H](C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025164954	0	52	0.0	-67.47	408.39	3.31	-64.16
CC1=[NH+]C=CN1CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025164989	1	48	0.0	-63.18	404.80	3.83	-59.35
CC1=C[NH+]=CN1CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165004	1	48	0.0	-66.43	405.10	4.56	-61.87
C[C@@H]1[C@H](C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025165005	0	53	0.0	-70.34	413.89	3.44	-66.90
C[C@@H]1[C@H](C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025165005	1	53	0.0	-72.87	418.46	3.51	-69.36
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025165029	0	53	0.0	-66.70	422.66	4.17	-62.53
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025165029	1	53	0.0	-66.90	422.80	4.18	-62.72
C[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025165036	0	53	0.0	-75.23	416.37	3.59	-71.64
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165046	0	50	0.0	-68.30	392.63	2.87	-65.43
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165046	1	50	0.0	-65.48	398.01	2.94	-62.54
CC1C(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025165106	0	53	0.0	-67.73	415.06	3.17	-64.56
CC1C(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025165106	1	53	0.0	-70.10	412.01	3.59	-66.51
C[C@@H](C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025165140	0	49	0.0	-66.75	391.31	2.57	-64.18
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)CC[NH+]1CCCC1	REAL300025165158	0	53	0.0	-70.25	422.58	3.90	-66.35
C[N@H+](CCO)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165163	1	50	0.0	-69.30	404.48	-0.31	-69.61
C[N@@H+](CCO)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165163	1	50	0.0	-69.24	404.23	-0.29	-69.53
CC1C[NH+](CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025165205	1	50	0.0	-68.87	407.27	3.37	-65.50
CC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165231	0	49	0.0	-68.35	394.12	2.93	-65.42
CC[N@@H+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165231	1	49	0.0	-68.58	394.30	2.86	-65.72
COCC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165275	1	53	0.0	-69.66	426.69	2.01	-67.65
COCC[N@@H+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165275	1	53	0.0	-70.14	426.73	2.10	-68.04
CC(CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025165277	0	55	0.0	-66.63	433.20	4.02	-62.61
CC[N@H+](CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025165281	0	53	0.0	-65.81	425.02	4.30	-61.51
CC[N@@H+](CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025165281	1	53	0.0	-66.71	417.63	4.14	-62.57
CC(C[NH+](C)C)C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165300	0	52	0.0	-71.54	415.65	3.40	-68.14
C[C@H](C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025165312	0	49	0.0	-66.98	393.50	2.51	-64.47
CC[N@@H+]1CCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165315	1	50	0.0	-67.78	395.49	2.92	-64.86
CC[N@H+]1CCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165315	1	50	0.0	-67.16	400.51	2.74	-64.42
NC1=CC=[NH+]C=C1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165329	0	46	0.0	-72.38	384.23	0.13	-72.25
CCCC(C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025165333	0	55	0.0	-66.43	426.75	4.01	-62.42
CC(CC[NH+](C)C)C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165343	0	55	0.0	-70.78	437.31	4.01	-66.77
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C[NH+]1CC2CC2C1	REAL300025165400	0	51	0.0	-70.30	411.87	4.16	-66.14
C[N@@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165409	0	53	0.0	-65.59	417.61	3.74	-61.85
C[N@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165409	1	53	0.0	-65.89	404.47	3.39	-62.50
C[N@@H+]1CCC(=CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025165431	0	51	0.0	-69.82	413.73	3.85	-65.97
C[N@H+]1CCC(=CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025165431	1	51	0.0	-69.84	413.33	3.84	-66.00
[N-]=[N+]=NCC(=O)N1CC2CC1(CNC(=O)CSC1=NC(=O)NN1)C2	REAL300025165436	0	40	0.0	-22.44	353.42	-2.21	-24.65
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165449	0	50	0.0	-65.49	399.92	2.91	-62.58
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165449	1	50	0.0	-68.31	395.17	2.71	-65.60
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025165488	0	53	0.0	-69.92	426.64	3.89	-66.03
C[NH+](C)CCOCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165505	0	53	0.0	-65.14	431.72	3.22	-61.92
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C[NH+]1CCCCC1	REAL300025165530	0	53	0.0	-69.84	418.51	4.13	-65.71
C[N@@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025165531	0	53	0.0	-71.01	421.84	3.68	-67.33
C[N@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025165531	1	53	0.0	-60.36	410.09	3.78	-56.58
CN1C=C[N+](CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300025165532	0	48	0.0	-63.77	407.09	5.78	-57.99
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025165541	0	50	0.0	-65.67	405.68	3.60	-62.07
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025165541	1	50	0.0	-66.34	404.77	3.76	-62.58
CC(CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025165549	0	55	0.0	-68.83	433.03	4.29	-64.54
C[NH+]1CC(CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025165590	0	50	0.0	-68.41	407.29	3.10	-65.31
C[NH+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165597	0	46	0.0	-68.76	375.84	2.26	-66.50
C[N@H+](CCO)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165607	0	53	0.0	-69.53	426.30	0.28	-69.25
C[N@@H+](CCO)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165607	1	53	0.0	-68.95	425.79	0.33	-68.62
C[C@@H](C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025165608	0	49	0.0	-66.75	391.31	2.57	-64.18
CC(C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300025165618	0	53	0.0	-68.08	425.07	3.84	-64.24
CC1CC[N@@H+]1CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165619	1	50	0.0	-66.46	402.25	3.01	-63.45
CC1CC[N@H+]1CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165619	1	50	0.0	-67.75	407.18	3.37	-64.38
C[NH+](C)CC=CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165620	0	50	0.0	-72.19	411.88	3.39	-68.80
CC1(C)C[NH+](CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025165623	1	53	0.0	-70.15	427.17	3.79	-66.36
CC[NH+](CC)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165639	0	52	0.0	-67.28	407.43	3.35	-63.93
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C[NH+]1CCC1	REAL300025165644	1	47	0.0	-68.98	387.37	2.63	-66.35
CC[NH+](CC)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165660	0	55	0.0	-69.50	433.79	4.20	-65.30
CC(C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025165682	0	50	0.0	-67.44	405.25	3.17	-64.27
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165701	0	53	0.0	-66.01	405.45	3.26	-62.75
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165701	1	53	0.0	-64.78	415.78	3.75	-61.03
C[NH+](C)CC(O)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025165708	0	53	0.0	-72.56	428.55	1.17	-71.39
C=CCC(C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025165720	0	53	0.0	-65.21	418.71	3.75	-61.46
NC(=[NH2+])SCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025165740	0	44	0.0	-58.62	383.27	-0.68	-59.30
CCC1C[NH+](CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025165800	1	53	0.0	-56.90	428.10	4.23	-52.67
C[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025165804	0	50	0.0	-54.25	400.49	3.43	-50.82
C[N@H+]1CCC[C@H]1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025165804	1	50	0.0	-51.97	395.39	2.91	-49.06
O=C(C[NH+]1CCCCC1)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025165811	0	53	0.0	-55.84	417.56	4.16	-51.68
CC1C(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025165815	0	53	0.0	-57.41	414.59	3.45	-53.96
CC1C(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025165815	1	53	0.0	-55.24	417.15	3.85	-51.39
C[NH+](C)CC(=O)NC1CC2=CC=CC=C2N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025165910	0	49	0.0	-73.11	400.31	3.24	-69.87
[N-]=[N+]=NCC(=O)NC1CC2=CC=CC=C2N(C(=O)CSC2=NC(=O)NN2)C1	REAL300025165915	0	43	0.0	-25.33	377.28	-1.16	-26.49
[N-]=[N+]=NCC(=O)N1CC(NC(=O)CSC2=NC(=O)NN2)CC2=CC=CC=C21	REAL300025166012	0	43	0.0	-26.88	377.27	-1.24	-28.12
C[NH+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC2=CC=CC=C21	REAL300025166023	1	49	0.0	-76.31	400.52	3.16	-73.15
C[N@@H+]1CCCC1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166198	0	50	0.0	-73.01	390.61	3.05	-69.96
C[N@H+]1CCCC1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166198	1	50	0.0	-66.71	403.43	2.62	-64.09
C[N@@H+]1CCOC(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025166222	1	51	0.0	-80.05	399.86	2.86	-77.19
C[N@H+]1CCOC(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025166222	1	51	0.0	-68.36	399.72	2.68	-65.68
CC1=[NH+]C=CN1CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166361	1	48	0.0	-66.72	398.89	4.01	-62.71
C[C@@H]1[C@H](C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)CC[N@@H+]1C	REAL300025166380	0	53	0.0	-73.89	415.88	2.74	-71.15
C[C@@H]1[C@H](C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)CC[N@H+]1C	REAL300025166380	1	53	0.0	-73.09	410.94	3.65	-69.44
C[NH+](C)C1(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)CCC1	REAL300025166401	0	53	0.0	-66.16	411.87	3.14	-63.02
CC(C)[C@@H](C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025166403	0	55	0.0	-68.53	417.85	4.52	-64.01
C[N@H+](CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)C1CCC1	REAL300025166413	0	53	0.0	-67.69	415.68	4.37	-63.32
C[N@@H+](CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)C1CCC1	REAL300025166413	1	53	0.0	-67.59	415.57	4.37	-63.22
C[NH+]1CCC(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)CC1	REAL300025166439	0	53	0.0	-72.62	411.94	3.99	-68.63
C[N@@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166445	0	53	0.0	-65.90	403.30	3.99	-61.91
C[N@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166445	1	53	0.0	-64.99	420.28	3.15	-61.84
CC1=C[NH+]=CN1CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166462	1	48	0.0	-69.30	399.20	4.74	-64.56
C[N@@H+]1CCC(CC(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025166472	0	53	0.0	-71.04	416.24	3.94	-67.10
C[N@H+]1CCC(CC(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025166472	1	53	0.0	-72.82	424.70	3.13	-69.69
CCC(C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025166475	0	52	0.0	-68.58	408.84	2.53	-66.05
C[NH+](C)CCCCC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166489	0	55	0.0	-73.93	443.81	3.68	-70.25
CC(C)C(C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025166493	0	55	0.0	-70.53	427.50	3.77	-66.76
CCC[N@H+](C)CCC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166494	0	55	0.0	-72.67	440.04	3.48	-69.19
CCC[N@@H+](C)CCC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166494	1	55	0.0	-72.76	432.33	4.52	-68.24
CCC[N@H+](C)CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166495	0	52	0.0	-69.55	408.69	3.81	-65.74
CCC[N@@H+](C)CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166495	1	52	0.0	-69.57	408.69	3.80	-65.77
C[N@@H+]1CCC[C@@H]1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166510	0	50	0.0	-66.81	389.51	2.93	-63.88
C[N@H+]1CCC[C@@H]1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166510	1	50	0.0	-66.46	395.78	3.44	-63.02
CC[NH+](CC)CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166522	0	52	0.0	-68.20	410.03	2.61	-65.59
C[NH+](C)CC1(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)CC1	REAL300025166576	0	53	0.0	-66.19	429.02	3.23	-62.96
C[NH+]1CCC(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)CC1	REAL300025166600	0	53	0.0	-72.62	411.94	3.99	-68.63
CC(C)[C@H](C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025166615	0	55	0.0	-70.49	427.46	3.77	-66.72
CC[N@H+](C)CCC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166643	0	52	0.0	-71.79	410.83	3.77	-68.02
CC[N@@H+](C)CCC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166643	1	52	0.0	-71.90	410.83	3.78	-68.12
CC1CCC[N@@H+]1CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166654	0	53	0.0	-68.04	415.99	4.34	-63.70
CC1CCC[N@H+]1CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166654	1	53	0.0	-66.12	408.10	3.77	-62.35
CC1CC[N@H+](CC(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025166655	0	53	0.0	-68.51	416.86	4.20	-64.31
CC1CC[N@@H+](CC(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025166655	1	53	0.0	-68.65	414.64	4.15	-64.50
CC[C@@H](C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025166657	0	52	0.0	-67.24	400.10	3.41	-63.83
C[NH+](C)CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166694	0	46	0.0	-70.66	378.44	1.53	-69.13
CN1C=C[N+](CC(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)=C1	REAL300025166695	0	48	0.0	-65.22	401.95	6.06	-59.16
C[N@@H+]1CCCC(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025166698	0	53	0.0	-63.59	409.04	4.38	-59.21
C[N@H+]1CCCC(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025166698	1	53	0.0	-71.44	411.61	4.03	-67.41
CC(C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+]1CCC1	REAL300025166706	1	50	0.0	-68.32	406.60	2.60	-65.72
C[NH+](C)CC(C)(C)C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166709	0	55	0.0	-71.45	425.64	3.19	-68.26
C[N@H+](CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025166716	0	50	0.0	-66.33	400.00	3.96	-62.37
C[N@@H+](CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025166716	1	50	0.0	-67.99	400.13	3.96	-64.03
C[NH+]1CC(CC(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025166727	0	50	0.0	-70.73	409.88	2.36	-68.37
C[C@@H](C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025166739	0	49	0.0	-69.82	396.50	1.93	-67.89
[N-]=[N+]=NCC(=O)NC1C2CCCN(C(=O)CSC3=NC(=O)NN3)C21	REAL300025166746	0	40	0.0	-23.87	355.40	-2.86	-26.73
C[N@H+](CCO)CCC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166778	0	53	0.0	-70.65	421.18	0.56	-70.09
C[N@@H+](CCO)CCC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166778	1	53	0.0	-70.30	419.86	0.39	-69.91
C[C@@H](C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025166779	0	49	0.0	-69.82	396.50	1.93	-67.89
C[N@@H+]1CCCC[C@@H]1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166782	0	53	0.0	-69.23	410.56	2.97	-66.26
C[N@H+]1CCCC[C@@H]1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166782	1	53	0.0	-64.90	411.48	4.00	-60.90
O=C(C[NH+]1CCC1)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166809	1	47	0.0	-69.73	379.58	2.81	-66.92
C[N@@H+]1CCC(=CC(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025166819	0	51	0.0	-72.08	408.74	4.11	-67.97
C[N@H+]1CCC(=CC(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025166819	1	51	0.0	-74.34	417.17	3.07	-71.27
C[NH+](C)CCOCC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166829	0	53	0.0	-72.14	434.31	2.59	-69.55
C[C@H](C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025166840	0	49	0.0	-68.55	386.18	2.73	-65.82
CC1C[NH+](CC(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025166857	1	50	0.0	-71.25	400.76	3.71	-67.54
C[N@H+](CCO)CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166870	1	50	0.0	-69.52	397.54	-0.18	-69.70
C[N@@H+](CCO)CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166870	1	50	0.0	-69.05	397.57	-0.15	-69.20
CC(CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)C[NH+](C)C	REAL300025166882	0	55	0.0	-73.58	435.46	3.54	-70.04
CC[N@H+](C)CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166884	0	49	0.0	-69.31	387.19	3.05	-66.26
CC[N@@H+](C)CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166884	1	49	0.0	-69.29	387.17	3.07	-66.22
CC[N@H+](CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025166894	0	53	0.0	-66.15	419.38	4.55	-61.60
CC[N@@H+](CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025166894	1	53	0.0	-67.37	424.49	3.55	-63.82
CC[NH+](CC)CCC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166900	0	55	0.0	-71.72	432.04	3.18	-68.54
C[NH+](C)CC=CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166915	0	50	0.0	-74.59	415.67	2.78	-71.81
COCC[N@H+](C)CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166924	1	53	0.0	-68.84	419.82	2.25	-66.59
COCC[N@@H+](C)CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166924	1	53	0.0	-69.61	419.79	2.23	-67.38
CC(CCC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025166933	0	55	0.0	-71.42	435.79	3.28	-68.14
CC[N@@H+]1CCC1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166937	1	50	0.0	-69.57	410.09	2.50	-67.07
CC[N@H+]1CCC1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166937	1	50	0.0	-67.90	391.81	2.92	-64.98
C=CCC(C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025166962	0	53	0.0	-69.11	422.15	3.04	-66.07
O=C(C[NH+]1CC2CC2C1)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166970	0	51	0.0	-69.36	404.77	4.28	-65.08
CCCC(C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025166976	0	55	0.0	-70.16	430.46	3.29	-66.87
C[NH+](C)C(C)(C)C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166978	0	52	0.0	-72.08	405.81	2.70	-69.38
C[N@@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166988	0	53	0.0	-65.90	403.30	3.99	-61.91
C[N@H+]1CCCCC1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025166988	1	53	0.0	-64.99	420.28	3.15	-61.84
C[NH+](C)C1(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)CC1	REAL300025167025	0	50	0.0	-75.53	402.19	2.54	-72.99
O=C(CC[NH+]1CCCC1)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167026	0	53	0.0	-71.90	419.06	4.29	-67.61
C[N@@H+]1CC2CC1(C(=O)NC1C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C31)C2	REAL300025167036	0	51	0.0	-78.55	402.74	3.75	-74.80
C[N@H+]1CC2CC1(C(=O)NC1C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C31)C2	REAL300025167036	1	51	0.0	-70.22	410.63	2.64	-67.58
CC(C[NH+](C)C)C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167072	0	52	0.0	-72.37	416.84	2.80	-69.57
CC(C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+]1CC(C)C1	REAL300025167095	1	53	0.0	-66.30	416.37	4.03	-62.27
CC1CC[N@@H+]1CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167096	1	50	0.0	-67.29	395.25	3.21	-64.08
CC1CC[N@H+]1CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167096	1	50	0.0	-69.70	401.87	3.64	-66.06
C[NH+](C)CC(O)CC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167098	0	53	0.0	-75.88	431.05	0.56	-75.32
C[NH+](C)[C@H]1C[C@H](C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025167128	0	53	0.0	-73.56	420.25	4.26	-69.30
CC(CC[NH+](C)C)C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167129	0	55	0.0	-70.47	429.48	4.29	-66.18
C[N@@H+]1CCCC1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167299	0	50	0.0	-69.20	387.86	2.80	-66.40
C[N@H+]1CCCC1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167299	1	50	0.0	-67.86	397.11	1.99	-65.87
C[N@@H+]1CCC(CC(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025167473	0	53	0.0	-73.05	415.88	3.94	-69.11
C[N@H+]1CCC(CC(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025167473	1	53	0.0	-68.06	416.79	4.11	-63.95
CCC(C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025167476	0	52	0.0	-69.28	406.73	2.34	-66.94
C[NH+](C)CCCCC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167485	0	55	0.0	-75.23	443.75	3.60	-71.63
CCC[N@H+](C)CCC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167490	0	55	0.0	-74.92	439.99	3.44	-71.48
CCC[N@@H+](C)CCC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167490	1	55	0.0	-66.22	432.32	4.47	-61.75
CCC[N@H+](C)CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167491	0	52	0.0	-72.02	408.68	3.69	-68.33
CCC[N@@H+](C)CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167491	1	52	0.0	-72.03	408.67	3.70	-68.33
C[NH+](C)CC1(C(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC1	REAL300025167521	0	53	0.0	-70.27	418.30	3.90	-66.37
CC[N@H+](C)CCC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167526	0	52	0.0	-74.16	418.49	2.70	-71.46
CC[N@@H+](C)CCC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167526	1	52	0.0	-74.03	418.48	2.68	-71.35
C[NH+]1CCC(C(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC1	REAL300025167542	0	53	0.0	-68.48	411.22	3.86	-64.62
CC1CCC[N@@H+]1CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167583	0	53	0.0	-68.38	417.15	2.82	-65.56
CC1CCC[N@H+]1CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167583	1	53	0.0	-59.39	408.36	3.86	-55.53
CC1CC[N@H+](CC(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025167598	0	53	0.0	-70.97	415.69	3.94	-67.03
CC1CC[N@@H+](CC(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025167598	1	53	0.0	-71.24	414.76	4.05	-67.19
CC[C@@H](C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025167600	0	52	0.0	-66.82	404.32	2.34	-64.48
CC1=[NH+]C=CN1CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167635	1	48	0.0	-67.94	398.87	3.91	-64.03
CC1=C[NH+]=CN1CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167650	1	48	0.0	-70.88	399.20	4.63	-66.25
C[C@@H]1[C@H](C(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC[N@@H+]1C	REAL300025167651	0	53	0.0	-73.13	405.24	3.37	-69.76
C[C@@H]1[C@H](C(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC[N@H+]1C	REAL300025167651	1	53	0.0	-72.26	418.51	2.96	-69.30
C[N@H+](CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CCC1	REAL300025167675	0	53	0.0	-69.81	415.54	4.28	-65.53
C[N@@H+](CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CCC1	REAL300025167675	1	53	0.0	-70.12	415.68	4.28	-65.84
C[NH+]1CCC(C(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC1	REAL300025167682	0	53	0.0	-68.48	411.22	3.86	-64.62
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167692	0	50	0.0	-58.16	389.06	3.00	-55.16
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167692	1	50	0.0	-71.42	395.26	3.24	-68.18
CC1C(C(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC[N@@H+]1C	REAL300025167752	0	53	0.0	-75.66	412.81	2.72	-72.94
CC1C(C(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC[N@H+]1C	REAL300025167752	1	53	0.0	-60.48	406.70	3.72	-56.76
C[C@@H](C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025167786	0	49	0.0	-58.25	385.79	2.81	-55.44
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)CC[NH+]3CCCC3)C21	REAL300025167804	0	53	0.0	-72.41	417.77	4.07	-68.34
C[N@H+](CCO)CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167809	1	50	0.0	-72.05	397.52	-0.27	-72.32
C[N@@H+](CCO)CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167809	1	50	0.0	-71.98	397.56	-0.25	-72.23
CC1C[NH+](CC(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025167851	1	50	0.0	-63.73	400.79	3.62	-60.11
CC[N@H+](C)CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167877	0	49	0.0	-71.62	387.17	2.97	-68.65
CC[N@@H+](C)CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167877	1	49	0.0	-71.60	387.17	2.96	-68.64
COCC[N@H+](C)CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167921	1	53	0.0	-71.90	419.81	2.16	-69.74
COCC[N@@H+](C)CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167921	1	53	0.0	-72.28	419.78	2.13	-70.15
CC(CCC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025167923	0	55	0.0	-75.29	431.73	3.22	-72.07
CC[N@H+](CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025167927	0	53	0.0	-59.46	419.33	4.49	-54.97
CC[N@@H+](CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025167927	1	53	0.0	-68.77	415.80	4.31	-64.46
CC(C[NH+](C)C)C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167946	0	52	0.0	-65.38	415.49	2.54	-62.84
C[C@H](C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025167958	0	49	0.0	-59.31	388.11	2.82	-56.49
CC[N@@H+]1CCC1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167961	1	50	0.0	-70.47	399.88	3.19	-67.28
CC[N@H+]1CCC1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167961	1	50	0.0	-62.78	401.07	3.40	-59.38
NC1=CC=[NH+]C=C1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167975	0	46	0.0	-70.87	390.24	-0.56	-71.43
CCCC(C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025167979	0	55	0.0	-69.66	419.15	4.02	-65.64
CC(CC[NH+](C)C)C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025167989	0	55	0.0	-72.84	438.91	3.22	-69.62
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C[NH+]3CC4CC4C3)C21	REAL300025168046	0	51	0.0	-71.98	403.93	4.13	-67.85
C[N@@H+]1CCCCC1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168055	0	53	0.0	-58.44	403.13	3.66	-54.78
C[N@H+]1CCCCC1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168055	1	53	0.0	-63.75	393.23	3.40	-60.35
C[N@@H+]1CCC(=CC(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025168077	0	51	0.0	-72.63	406.35	4.08	-68.55
C[N@H+]1CCC(=CC(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025168077	1	51	0.0	-72.30	415.40	3.03	-69.27
[N-]=[N+]=NCC(=O)N1CCCC2C(NC(=O)CSC3=NC(=O)NN3)C21	REAL300025168082	0	40	0.0	-24.50	355.35	-2.98	-27.48
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168095	0	50	0.0	-68.29	391.72	3.11	-65.18
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168095	1	50	0.0	-69.24	396.31	1.94	-67.30
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025168134	0	53	0.0	-71.53	427.56	3.17	-68.36
C[NH+](C)CCOCC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168151	0	53	0.0	-71.00	434.25	2.57	-68.43
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C[NH+]3CCCCC3)C21	REAL300025168176	0	53	0.0	-71.25	411.17	4.16	-67.09
C[N@@H+]1CCCC(C(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025168177	0	53	0.0	-64.97	412.93	2.99	-61.98
C[N@H+]1CCCC(C(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025168177	1	53	0.0	-66.90	403.93	3.78	-63.12
CN1C=C[N+](CC(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)=C1	REAL300025168178	0	48	0.0	-69.21	400.67	5.81	-63.40
C[N@H+](CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025168187	0	50	0.0	-68.60	407.64	2.84	-65.76
C[N@@H+](CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025168187	1	50	0.0	-69.61	407.79	2.85	-66.76
CC(CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C[NH+](C)C	REAL300025168195	0	55	0.0	-74.86	435.67	3.50	-71.36
C[NH+]1CC(CC(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025168236	0	50	0.0	-71.78	400.88	3.16	-68.62
C[NH+](C)CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168243	0	46	0.0	-72.46	378.39	1.43	-71.03
C[N@H+](CCO)CCC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168253	0	53	0.0	-73.43	428.83	-0.53	-73.96
C[N@@H+](CCO)CCC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168253	1	53	0.0	-73.72	428.81	-0.54	-74.26
C[C@@H](C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025168254	0	49	0.0	-58.25	385.79	2.81	-55.44
CC(C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+]1CC(C)C1	REAL300025168264	0	53	0.0	-68.10	427.68	2.97	-65.13
CC1CC[N@@H+]1CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168265	1	50	0.0	-69.47	404.13	2.26	-67.21
CC1CC[N@H+]1CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168265	1	50	0.0	-71.18	408.95	2.45	-68.73
C[NH+](C)CC=CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168266	0	50	0.0	-78.27	405.55	3.57	-74.70
CC1(C)C[NH+](CC(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025168269	1	53	0.0	-72.24	428.78	3.00	-69.24
CC[NH+](CC)CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168285	0	52	0.0	-69.78	414.44	2.79	-66.99
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C[NH+]3CCC3)C21	REAL300025168290	1	47	0.0	-62.58	380.81	2.87	-59.71
CC[NH+](CC)CCC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168306	0	55	0.0	-73.39	431.98	3.12	-70.27
CC(C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+]1CCC1	REAL300025168328	1	50	0.0	-68.45	397.84	1.92	-66.53
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168347	0	53	0.0	-68.82	398.52	3.36	-65.46
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168347	1	53	0.0	-67.68	409.95	3.90	-63.78
C[NH+](C)CC(O)CC(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168354	0	53	0.0	-77.82	430.89	0.51	-77.31
C=CCC(C(=O)N1CCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025168366	0	53	0.0	-68.63	411.06	3.77	-64.86
NC(=[NH2+])SCC(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168386	0	44	0.0	-72.92	386.97	-1.60	-74.52
CCC1C[NH+](CC(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025168446	1	53	0.0	-72.22	423.03	4.40	-67.82
C[N@@H+]1CCC[C@H]1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168450	0	50	0.0	-65.78	396.77	3.59	-62.19
C[N@H+]1CCC[C@H]1C(=O)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168450	1	50	0.0	-66.95	398.03	2.10	-64.85
O=C(C[NH+]1CCCCC1)NC1C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025168457	0	53	0.0	-70.04	412.45	4.42	-65.62
CC1C(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)CC[N@@H+]1C	REAL300025168461	0	53	0.0	-67.05	406.60	3.62	-63.43
CC1C(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)CC[N@H+]1C	REAL300025168461	1	53	0.0	-70.74	411.81	3.60	-67.14
C[N@@H+]1CCCC1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168670	0	52	0.0	-71.42	403.21	2.46	-68.96
C[N@H+]1CCCC1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168670	1	52	0.0	-66.44	405.97	2.97	-63.47
C[N@@H+]1CCOC(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025168694	1	53	0.0	-88.75	420.56	2.35	-86.40
C[N@H+]1CCOC(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025168694	1	53	0.0	-77.78	413.43	2.18	-75.60
CC1=[NH+]C=CN1CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168833	1	50	0.0	-65.84	410.48	3.53	-62.31
C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025168851	0	55	0.0	-72.16	418.53	3.11	-69.05
C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025168851	1	55	0.0	-77.52	426.03	3.17	-74.35
C[NH+](C)C1(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025168871	0	55	0.0	-67.24	417.23	3.37	-63.87
CC(C)[C@@H](C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025168873	0	57	0.0	-69.47	430.94	3.97	-65.50
C[N@H+](CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025168882	0	55	0.0	-69.28	429.38	3.88	-65.40
C[N@@H+](CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025168882	1	55	0.0	-68.18	427.24	3.89	-64.29
C[NH+]1CCC(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025168906	0	55	0.0	-80.08	427.74	3.55	-76.53
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168912	0	55	0.0	-69.10	415.81	3.31	-65.79
C[N@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168912	1	55	0.0	-68.49	413.65	3.33	-65.16
CC1=C[NH+]=CN1CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168929	1	50	0.0	-69.64	410.77	4.24	-65.40
C[N@@H+]1CCC(CC(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025168939	0	55	0.0	-77.49	429.68	3.49	-74.00
C[N@H+]1CCC(CC(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025168939	1	55	0.0	-75.70	430.14	3.49	-72.21
CCC(C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025168942	0	54	0.0	-66.26	411.40	2.90	-63.36
C[NH+](C)CCCCC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168956	0	57	0.0	-77.71	448.49	4.03	-73.68
CC(C)C(C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025168959	0	57	0.0	-67.32	431.55	4.00	-63.32
CCC[N@H+](C)CCC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168960	0	57	0.0	-75.48	444.73	3.85	-71.63
CCC[N@@H+](C)CCC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168960	1	57	0.0	-75.54	444.73	3.85	-71.69
CCC[N@H+](C)CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168961	0	54	0.0	-71.70	422.39	3.30	-68.40
CCC[N@@H+](C)CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168961	1	54	0.0	-69.95	420.24	3.32	-66.63
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168976	0	52	0.0	-71.45	403.16	2.46	-68.99
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168976	1	52	0.0	-66.41	406.15	2.98	-63.43
CC[NH+](CC)CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025168988	0	54	0.0	-70.19	414.77	2.98	-67.21
C[NH+](C)CC1(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025169042	0	55	0.0	-80.86	432.40	3.85	-77.01
C[NH+]1CCC(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025169064	0	55	0.0	-80.08	427.74	3.55	-76.53
CC(C)[C@H](C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025169079	0	57	0.0	-66.74	430.58	3.96	-62.78
CC[N@H+](C)CCC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169106	0	54	0.0	-74.82	423.26	3.09	-71.73
CC[N@@H+](C)CCC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169106	1	54	0.0	-71.10	421.10	3.12	-67.98
CC1CCC[N@@H+]1CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169116	0	55	0.0	-68.74	429.16	3.56	-65.18
CC1CCC[N@H+]1CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169116	1	55	0.0	-67.23	426.20	3.69	-63.54
CC1CC[N@H+](CC(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169117	0	55	0.0	-68.97	427.29	3.57	-65.40
CC1CC[N@@H+](CC(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169117	1	55	0.0	-70.77	428.46	3.57	-67.20
CC[C@@H](C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025169119	0	54	0.0	-69.23	413.69	3.06	-66.17
C[NH+](C)CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169155	0	48	0.0	-71.96	383.13	1.89	-70.07
CN1C=C[N+](CC(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025169156	0	50	0.0	-66.90	412.29	5.43	-61.47
C[N@@H+]1CCCC(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169159	0	55	0.0	-63.67	421.51	3.72	-59.95
C[N@H+]1CCCC(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169159	1	55	0.0	-64.21	421.52	3.74	-60.47
CC(C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025169166	1	52	0.0	-67.67	409.22	2.98	-64.69
C[NH+](C)CC(C)(C)C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169169	0	57	0.0	-70.88	430.11	3.76	-67.12
C[N@H+](CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025169176	0	52	0.0	-66.88	410.28	3.30	-63.58
C[N@@H+](CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025169176	1	52	0.0	-67.70	410.43	3.31	-64.39
C[NH+]1CC(CC(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169187	0	52	0.0	-74.47	414.30	2.64	-71.83
C[C@@H](C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025169199	0	51	0.0	-69.01	399.12	2.31	-66.70
[N-]=[N+]=NCC(=O)N[C@H]1CCCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025169206	0	42	0.0	-26.39	360.18	-2.48	-28.87
C[C@@H](C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025169237	0	51	0.0	-69.01	399.12	2.31	-66.70
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169240	0	55	0.0	-69.11	415.83	3.31	-65.80
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169240	1	55	0.0	-68.45	425.12	3.50	-64.95
O=C(C[NH+]1CCC1)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169267	1	49	0.0	-69.79	391.10	2.33	-67.46
C[N@@H+]1CCC(=CC(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169276	0	53	0.0	-77.28	422.01	3.44	-73.84
C[N@H+]1CCC(=CC(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169276	1	53	0.0	-77.20	421.13	3.50	-73.70
C[C@H](C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025169294	0	51	0.0	-67.42	399.15	2.32	-65.10
CC1C[NH+](CC(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169310	1	52	0.0	-69.84	412.27	3.01	-66.83
C[N@H+](CCO)CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169323	1	52	0.0	-70.83	409.09	-0.67	-71.50
C[N@@H+](CCO)CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169323	1	52	0.0	-72.63	411.03	-0.69	-73.32
CC(CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025169335	0	57	0.0	-75.75	440.21	3.88	-71.87
CC[N@H+](C)CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169337	0	51	0.0	-71.48	400.89	2.56	-68.92
CC[N@@H+](C)CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169337	1	51	0.0	-69.58	398.74	2.57	-67.01
CC[N@H+](CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025169347	0	55	0.0	-66.14	430.21	3.95	-62.19
CC[N@@H+](CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025169347	1	55	0.0	-67.08	427.37	3.87	-63.21
CC[NH+](CC)CCC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169353	0	57	0.0	-70.22	438.95	3.83	-66.39
C[NH+](C)CC=CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169368	0	52	0.0	-74.49	416.98	3.11	-71.38
CC(CCC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025169385	0	57	0.0	-78.89	436.51	3.61	-75.28
CC[N@@H+]1CCC1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169389	1	52	0.0	-72.21	414.85	2.87	-69.34
CC[N@H+]1CCC1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169389	1	52	0.0	-68.09	405.57	2.54	-65.55
C=CCC(C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025169410	0	55	0.0	-67.25	424.68	3.38	-63.87
O=C(C[NH+]1CC2CC2C1)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169418	0	53	0.0	-72.27	418.47	3.78	-68.49
CCCC(C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025169423	0	57	0.0	-67.00	433.03	3.66	-63.34
C[NH+](C)C(C)(C)C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169425	0	54	0.0	-71.74	408.19	3.06	-68.68
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169435	0	55	0.0	-69.10	415.81	3.31	-65.79
C[N@H+]1CCCCC1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169435	1	55	0.0	-68.49	413.65	3.33	-65.16
C[NH+](C)C1(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025169471	0	52	0.0	-70.03	402.43	3.54	-66.49
O=C(CC[NH+]1CCCC1)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169472	0	55	0.0	-70.67	429.33	3.64	-67.03
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025169482	0	53	0.0	-69.53	413.01	3.12	-66.41
C[N@H+]1CC2CC1(C(=O)N[C@H]1CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025169482	1	53	0.0	-79.27	413.97	3.03	-76.24
CC(C[NH+](C)C)C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169517	0	54	0.0	-71.26	419.42	3.16	-68.10
CC(C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025169537	1	55	0.0	-70.30	431.09	3.62	-66.68
CC1CC[N@@H+]1CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169538	1	52	0.0	-67.51	406.79	2.70	-64.81
CC1CC[N@H+]1CC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169538	1	52	0.0	-71.05	414.45	2.96	-68.09
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169569	0	55	0.0	-71.98	430.59	3.64	-68.34
CC(CC[NH+](C)C)C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169570	0	57	0.0	-75.07	443.19	3.77	-71.30
C[N@@H+]1CCCC1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169739	0	52	0.0	-70.45	406.61	2.68	-67.77
C[N@H+]1CCCC1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169739	1	52	0.0	-73.73	401.23	2.35	-71.38
C[N@@H+]1CCOC(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169765	1	53	0.0	-82.09	408.12	1.83	-80.26
C[N@H+]1CCOC(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169765	1	53	0.0	-89.61	415.09	2.04	-87.57
C[N@@H+]1CCC(CC(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169915	0	55	0.0	-77.91	429.58	3.47	-74.44
C[N@H+]1CCC(CC(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025169915	1	55	0.0	-76.36	429.84	3.44	-72.92
CCC(C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025169918	0	54	0.0	-71.25	409.26	2.66	-68.59
C[NH+](C)CCCCC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169928	0	57	0.0	-78.23	448.51	3.98	-74.25
CC(C)C(C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025169931	0	57	0.0	-61.61	425.18	3.59	-58.02
CCC[N@H+](C)CCC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169932	0	57	0.0	-76.28	444.73	3.81	-72.47
CCC[N@@H+](C)CCC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169932	1	57	0.0	-76.30	444.81	3.84	-72.46
CCC[N@H+](C)CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169933	0	54	0.0	-72.53	420.23	3.21	-69.32
CCC[N@@H+](C)CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169933	1	54	0.0	-72.70	420.24	3.21	-69.49
C[NH+](C)CC1(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025169972	0	55	0.0	-71.28	425.03	3.22	-68.06
CC[N@H+](C)CCC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169978	0	54	0.0	-75.47	423.30	3.07	-72.40
CC[N@@H+](C)CCC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025169978	1	54	0.0	-75.20	421.09	3.06	-72.14
C[NH+]1CCC(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025170000	0	55	0.0	-76.72	423.88	3.31	-73.41
CC(C)[C@H](C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025170015	0	57	0.0	-71.01	421.98	3.22	-67.79
C[NH+](C)C1(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025170037	0	55	0.0	-72.70	400.00	2.69	-70.01
CC1CCC[N@@H+]1CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170061	0	55	0.0	-68.86	419.68	3.19	-65.67
CC1CCC[N@H+]1CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170061	1	55	0.0	-68.20	421.87	3.16	-65.04
CC(C)[C@@H](C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025170072	0	57	0.0	-71.33	424.04	3.41	-67.92
CC1CC[N@H+](CC(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025170080	0	55	0.0	-70.97	428.53	3.50	-67.47
CC1CC[N@@H+](CC(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025170080	1	55	0.0	-72.06	426.31	3.55	-68.51
CC[C@@H](C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025170082	0	54	0.0	-72.37	407.98	2.77	-69.60
CC1=[NH+]C=CN1CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170119	1	50	0.0	-68.30	410.44	3.41	-64.89
CC1=C[NH+]=CN1CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170137	1	50	0.0	-71.31	412.92	4.13	-67.18
C[C@@H]1[C@H](C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025170138	0	55	0.0	-76.15	409.15	2.52	-73.63
C[C@@H]1[C@H](C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025170138	1	55	0.0	-79.10	424.76	3.09	-76.01
C[N@H+](CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025170168	0	55	0.0	-70.07	427.12	3.80	-66.27
C[N@@H+](CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025170168	1	55	0.0	-70.69	427.25	3.80	-66.89
C[NH+]1CCC(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025170174	0	55	0.0	-76.72	423.88	3.31	-73.41
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170187	0	52	0.0	-70.76	400.22	2.28	-68.48
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170187	1	52	0.0	-70.64	407.27	2.73	-67.91
C[N@@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170230	0	55	0.0	-69.97	422.08	3.37	-66.60
C[N@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170230	1	55	0.0	-70.76	411.24	2.83	-67.93
CC1C(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025170259	0	55	0.0	-74.97	420.28	2.86	-72.11
CC1C(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025170259	1	55	0.0	-72.09	428.26	3.34	-68.75
C[C@@H](C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025170300	0	51	0.0	-72.42	396.21	2.09	-70.33
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300025170318	0	55	0.0	-74.97	431.47	3.58	-71.39
C[N@H+](CCO)CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170323	1	52	0.0	-73.61	409.10	-0.76	-74.37
C[N@@H+](CCO)CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170323	1	52	0.0	-72.76	408.87	-0.77	-73.53
CC1C[NH+](CC(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025170366	1	52	0.0	-72.65	412.27	2.93	-69.72
CC[N@H+](C)CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170398	0	51	0.0	-72.23	398.75	2.48	-69.75
CC[N@@H+](C)CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170398	1	51	0.0	-72.33	398.74	2.47	-69.86
CC(CCC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025170451	0	57	0.0	-77.09	434.36	3.60	-73.49
CC[N@H+](CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025170456	0	55	0.0	-68.17	431.75	3.83	-64.34
CC[N@@H+](CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025170456	1	55	0.0	-69.29	429.52	3.77	-65.52
C[N@@H+]1CC2CC1(C(=O)N1CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025170469	0	53	0.0	-73.31	399.18	2.93	-70.38
C[N@H+]1CC2CC1(C(=O)N1CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025170469	1	53	0.0	-72.65	399.67	2.83	-69.82
CC(C[NH+](C)C)C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170478	0	54	0.0	-75.57	416.60	2.78	-72.79
C[NH+](C)C1(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025170484	0	52	0.0	-74.16	399.21	2.01	-72.15
C[C@H](C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025170494	0	51	0.0	-70.96	397.59	2.13	-68.83
CC[N@@H+]1CCC1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170497	1	52	0.0	-73.72	413.05	2.69	-71.03
CC[N@H+]1CCC1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170497	1	52	0.0	-73.67	413.94	2.77	-70.90
NC1=CC=[NH+]C=C1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170508	0	48	0.0	-72.28	394.03	-0.17	-72.45
CCCC(C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025170512	0	57	0.0	-74.38	432.90	3.57	-70.81
C[NH+](C)C(C)(C)C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170515	0	54	0.0	-72.48	393.71	2.28	-70.20
CC(CC[NH+](C)C)C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170524	0	57	0.0	-76.09	437.52	3.40	-72.69
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025170583	0	53	0.0	-72.76	416.34	3.69	-69.07
C[N@@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170591	0	55	0.0	-69.97	422.08	3.37	-66.60
C[N@H+]1CCCCC1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170591	1	55	0.0	-70.76	411.24	2.83	-67.93
C[N@@H+]1CCC(=CC(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025170616	0	53	0.0	-58.98	417.05	3.35	-55.63
C[N@H+]1CCC(=CC(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025170616	1	53	0.0	-60.12	417.09	3.42	-56.70
[N-]=[N+]=NCC(=O)N1CCCC[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300025170623	0	42	0.0	-26.81	360.17	-2.60	-29.41
CCC1C[NH+](CC(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025170639	1	55	0.0	-73.85	433.64	3.66	-70.19
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170644	0	52	0.0	-71.26	406.89	2.64	-68.62
C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170644	1	52	0.0	-74.46	401.56	2.33	-72.13
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025170684	0	55	0.0	-73.45	429.95	3.46	-69.99
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C[NH+]2CCCCC2)C1	REAL300025170725	0	55	0.0	-71.85	424.88	3.67	-68.18
C[N@@H+]1CCCC(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025170726	0	55	0.0	-67.33	414.92	3.45	-63.88
C[N@H+]1CCCC(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025170726	1	55	0.0	-74.59	423.93	3.27	-71.32
CN1C=C[N+](CC(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025170727	0	50	0.0	-69.59	412.27	5.32	-64.27
C[N@H+](CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025170737	0	52	0.0	-68.52	412.44	3.20	-65.32
C[N@@H+](CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025170737	1	52	0.0	-70.14	410.41	3.22	-66.92
CC(CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025170745	0	57	0.0	-76.47	440.48	3.87	-72.60
C[NH+]1CC(CC(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025170794	0	52	0.0	-74.85	414.51	2.68	-72.17
C[NH+](C)CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170801	0	48	0.0	-72.23	383.14	1.80	-70.43
C[C@@H](C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025170809	0	51	0.0	-72.42	396.21	2.09	-70.33
CC(C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025170823	0	55	0.0	-71.72	428.83	3.34	-68.38
CC1CC[N@@H+]1CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170824	1	52	0.0	-70.25	406.80	2.63	-67.62
CC1CC[N@H+]1CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170824	1	52	0.0	-71.66	412.34	2.89	-68.77
C[NH+](C)CC=CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170826	0	52	0.0	-57.20	414.14	3.02	-54.18
CC1(C)C[NH+](CC(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025170830	1	55	0.0	-72.74	431.41	3.37	-69.37
CC[NH+](CC)CC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170843	0	54	0.0	-70.69	412.09	2.86	-67.83
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C[NH+]2CCC2)C1	REAL300025170848	1	49	0.0	-72.83	391.10	2.22	-70.61
CC[NH+](CC)CCC(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170866	0	57	0.0	-75.03	436.72	3.49	-71.54
CC(C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025170894	1	52	0.0	-71.36	405.47	2.60	-68.76
C[NH+](C)CC(C)(C)C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170898	0	57	0.0	-68.86	417.13	3.03	-65.83
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170918	0	55	0.0	-71.08	411.29	2.89	-68.19
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170918	1	55	0.0	-69.46	421.70	3.36	-66.10
C=CCC(C(=O)N1CCCC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025170937	0	55	0.0	-72.33	423.23	3.33	-69.00
NC(=[NH2+])SCC(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025170960	0	46	0.0	-76.54	391.13	-1.15	-77.69
CCC1C[NH+](CC(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025171015	1	55	0.0	-70.65	433.67	3.77	-66.88
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025171019	0	52	0.0	-67.10	407.00	2.93	-64.17
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025171019	1	52	0.0	-70.14	401.05	2.46	-67.68
O=C(C[NH+]1CCCCC1)N[C@H]1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025171026	0	55	0.0	-69.28	422.72	3.76	-65.52
CC1C(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025171030	0	55	0.0	-75.63	420.73	3.11	-72.52
CC1C(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025171030	1	55	0.0	-69.83	426.55	3.48	-66.35
C[N@@H+]1CCCC1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171181	0	53	0.0	-61.14	410.72	2.86	-58.28
C[N@H+]1CCCC1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171181	1	53	0.0	-74.45	408.05	2.66	-71.79
CCC(C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025171284	0	55	0.0	-59.43	421.51	3.32	-56.11
CCC[N@H+](C)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171289	0	55	0.0	-61.56	430.08	3.73	-57.83
CCC[N@@H+](C)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171289	1	55	0.0	-61.46	430.05	3.75	-57.71
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171297	0	53	0.0	-61.12	410.81	2.87	-58.25
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171297	1	53	0.0	-69.73	413.17	3.17	-66.56
CC[NH+](CC)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171302	0	55	0.0	-71.55	419.87	3.22	-68.33
CC[N@H+](C)CCC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171360	0	55	0.0	-63.13	430.88	3.53	-59.60
CC[N@@H+](C)CCC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171360	1	55	0.0	-63.06	430.95	3.53	-59.53
CC[C@@H](C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025171363	0	55	0.0	-59.46	421.07	3.34	-56.12
C[NH+](C)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171381	0	49	0.0	-73.80	388.28	2.14	-71.66
CC(C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025171385	1	53	0.0	-59.09	421.17	3.33	-55.76
C[N@H+](CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025171392	0	53	0.0	-59.18	420.12	3.73	-55.45
C[N@@H+](CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025171392	1	53	0.0	-59.33	420.26	3.74	-55.59
C[NH+]1CC(CC(=O)NC2CC3CCC2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025171398	0	53	0.0	-73.56	419.73	2.95	-70.61
C[C@@H](C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025171405	0	52	0.0	-60.80	408.89	2.74	-58.06
[N-]=[N+]=NCC(=O)NC1CC2CCC1N(C(=O)CSC1=NC(=O)NN1)C2	REAL300025171408	0	43	0.0	-23.93	365.29	-2.28	-26.21
C[C@@H](C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025171427	0	52	0.0	-60.80	408.89	2.74	-58.06
C[C@H](C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025171456	0	52	0.0	-60.77	408.99	2.74	-58.03
CC1C[NH+](CC(=O)NC2CC3CCC2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025171463	1	53	0.0	-61.53	421.82	3.41	-58.12
C[N@H+](CCO)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171474	1	53	0.0	-61.69	418.90	-0.24	-61.93
C[N@@H+](CCO)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171474	1	53	0.0	-61.50	418.69	-0.24	-61.74
CC[N@H+](C)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171481	0	52	0.0	-61.15	408.57	2.99	-58.16
CC[N@@H+](C)CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171481	1	52	0.0	-61.11	408.55	3.00	-58.11
C[NH+](C)CC=CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171499	0	53	0.0	-66.48	428.08	3.58	-62.90
CC[N@@H+]1CCC1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171505	1	53	0.0	-71.40	412.86	2.84	-68.56
CC[N@H+]1CCC1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171505	1	53	0.0	-72.40	419.96	3.13	-69.27
C[NH+](C)C(C)(C)C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171519	0	55	0.0	-78.79	414.36	3.23	-75.56
C[NH+](C)C1(C(=O)NC2CC3CCC2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025171542	0	53	0.0	-58.43	414.68	3.33	-55.10
CC(C[NH+](C)C)C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171564	0	55	0.0	-75.17	426.72	3.38	-71.79
CC1CC[N@@H+]1CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171575	1	53	0.0	-60.10	422.44	3.47	-56.63
CC1CC[N@H+]1CC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171575	1	53	0.0	-60.35	422.09	3.41	-56.94
C[N@@H+]1CCCC1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171690	0	53	0.0	-66.28	411.56	3.00	-63.28
C[N@H+]1CCCC1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171690	1	53	0.0	-67.51	412.20	3.13	-64.38
CCC(C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025171764	0	55	0.0	-69.83	415.91	3.04	-66.79
CCC[N@H+](C)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171768	0	55	0.0	-72.19	427.55	3.47	-68.72
CCC[N@@H+](C)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171768	1	55	0.0	-72.32	427.55	3.46	-68.86
CC[N@H+](C)CCC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171785	0	55	0.0	-71.72	430.88	3.51	-68.21
CC[N@@H+](C)CCC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171785	1	55	0.0	-71.81	430.92	3.51	-68.30
CC[C@@H](C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025171826	0	55	0.0	-72.02	416.80	3.11	-68.91
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171872	0	53	0.0	-70.71	409.38	2.73	-67.98
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171872	1	53	0.0	-68.77	412.30	2.86	-65.91
C[C@@H](C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025171927	0	52	0.0	-69.56	405.95	2.54	-67.02
C[N@H+](CCO)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171937	1	53	0.0	-73.43	416.40	-0.51	-73.94
C[N@@H+](CCO)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171937	1	53	0.0	-72.38	416.16	-0.50	-72.88
CC1C[NH+](CC(=O)N2CC3CCC2C(NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025171953	1	53	0.0	-72.26	419.69	3.21	-69.05
CC[N@H+](C)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171971	0	52	0.0	-70.28	408.50	2.93	-67.35
CC[N@@H+](C)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025171971	1	52	0.0	-71.98	406.06	2.73	-69.25
CC(C[NH+](C)C)C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172004	0	55	0.0	-71.49	429.72	3.34	-68.15
C[NH+](C)C1(C(=O)N2CC3CCC2C(NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025172007	0	53	0.0	-72.84	404.93	3.18	-69.66
C[C@H](C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025172011	0	52	0.0	-67.50	405.81	2.53	-64.97
CC[N@@H+]1CCC1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172014	1	53	0.0	-68.07	414.22	2.92	-65.15
CC[N@H+]1CCC1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172014	1	53	0.0	-70.34	411.18	2.65	-67.69
C[NH+](C)C(C)(C)C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172023	0	55	0.0	-69.53	408.71	2.74	-66.79
[N-]=[N+]=NCC(=O)N1CC2CCC1C(NC(=O)CSC1=NC(=O)NN1)C2	REAL300025172072	0	43	0.0	-24.30	365.25	-2.33	-26.63
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172085	0	53	0.0	-68.50	408.84	2.79	-65.71
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172085	1	53	0.0	-70.73	409.01	2.74	-67.99
C[N@H+](CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025172122	0	53	0.0	-68.39	420.20	3.68	-64.71
C[N@@H+](CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025172122	1	53	0.0	-69.94	417.69	3.48	-66.46
C[NH+]1CC(CC(=O)N2CC3CCC2C(NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025172150	0	53	0.0	-69.70	422.19	3.13	-66.57
C[NH+](C)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172153	0	49	0.0	-70.87	390.78	2.27	-68.60
C[C@@H](C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025172156	0	52	0.0	-69.56	405.95	2.54	-67.02
CC1CC[N@@H+]1CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172165	1	53	0.0	-71.28	419.77	3.17	-68.11
CC1CC[N@H+]1CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172165	1	53	0.0	-70.85	419.81	3.15	-67.70
C[NH+](C)CC=CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172166	0	53	0.0	-78.06	423.25	3.27	-74.79
CC[NH+](CC)CC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172172	0	55	0.0	-68.88	421.82	3.34	-65.54
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC1N(C(=O)C[NH+]1CCC1)C2	REAL300025172173	1	50	0.0	-72.83	398.46	2.47	-70.36
CC(C(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025172196	1	53	0.0	-72.70	407.00	2.70	-70.00
NC(=[NH2+])SCC(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172236	0	47	0.0	-75.83	396.81	-1.00	-76.83
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172268	0	53	0.0	-69.79	414.25	3.09	-66.70
C[N@H+]1CCC[C@H]1C(=O)NC1CC2CCC1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025172268	1	53	0.0	-59.55	410.66	2.89	-56.66
C[N@@H+]1CCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172444	0	50	0.0	-70.15	404.13	-0.29	-70.44
C[N@H+]1CCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172444	1	50	0.0	-69.21	403.87	-0.34	-69.55
CC1=[NH+]C=CN1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172595	1	48	0.0	-64.97	408.40	0.10	-64.87
C[C@@H]1[C@H](C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025172613	0	53	0.0	-69.05	416.56	-0.31	-69.36
C[C@@H]1[C@H](C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025172613	1	53	0.0	-68.34	421.02	-0.01	-68.35
C[NH+](C)C1(C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025172630	0	53	0.0	-64.31	412.50	0.08	-64.23
C[N@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025172640	0	53	0.0	-71.25	424.39	0.68	-70.57
C[N@@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025172640	1	53	0.0	-72.12	424.34	0.67	-71.45
C[NH+]1CCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025172661	0	53	0.0	-76.21	422.75	0.36	-75.85
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172667	0	53	0.0	-70.15	410.81	0.11	-70.04
C[N@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172667	1	53	0.0	-70.92	410.79	0.12	-70.80
CC1=C[NH+]=CN1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172684	1	48	0.0	-72.91	406.87	0.99	-71.92
C[N@@H+]1CCC(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025172693	0	53	0.0	-72.95	424.96	0.25	-72.70
C[N@H+]1CCC(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025172693	1	53	0.0	-69.60	425.38	0.10	-69.50
CCC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025172696	0	52	0.0	-66.34	409.40	-0.50	-66.84
CCC[N@H+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172712	0	52	0.0	-68.22	418.21	-0.10	-68.32
CCC[N@@H+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172712	1	52	0.0	-73.80	417.38	0.10	-73.70
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172726	0	50	0.0	-71.15	398.10	-0.75	-71.90
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172726	1	50	0.0	-69.52	403.16	-0.23	-69.75
CC[NH+](CC)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172738	0	52	0.0	-66.28	415.08	-0.14	-66.42
C[NH+](C)CC1(C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025172790	0	53	0.0	-69.15	430.02	0.38	-68.77
C[NH+]1CCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025172811	0	53	0.0	-76.21	422.75	0.36	-75.85
CC[N@H+](C)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172848	0	52	0.0	-68.94	419.07	-0.31	-69.25
CC[N@@H+](C)CCC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172848	1	52	0.0	-68.90	419.08	-0.30	-69.20
CC1CCC[N@@H+]1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172856	0	53	0.0	-70.29	416.81	0.06	-70.23
CC1CCC[N@H+]1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172856	1	53	0.0	-70.21	416.84	0.07	-70.14
CC1CC[N@H+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025172857	0	53	0.0	-73.14	424.28	0.43	-72.71
CC1CC[N@@H+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025172857	1	53	0.0	-67.41	425.01	0.22	-67.19
CC[C@@H](C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025172859	0	52	0.0	-70.79	408.81	-0.29	-71.08
C[NH+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172890	0	46	0.0	-68.68	378.99	-1.51	-70.19
CN1C=C[N+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025172891	0	48	0.0	-71.19	409.40	2.19	-69.00
C[N@@H+]1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025172894	0	53	0.0	-68.18	423.57	0.10	-68.08
C[N@H+]1CCCC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025172894	1	53	0.0	-72.70	422.75	0.32	-72.38
CC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025172901	1	50	0.0	-65.82	407.12	-0.43	-66.25
C[N@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025172909	0	50	0.0	-65.97	408.38	-0.10	-66.07
C[N@@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025172909	1	50	0.0	-71.49	407.57	0.09	-71.40
C[NH+]1CC(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025172919	0	50	0.0	-73.71	409.42	-0.50	-74.21
C[C@@H](C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025172930	0	49	0.0	-66.99	397.08	-1.11	-68.10
[N-]=[N+]=NCC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025172937	0	40	0.0	-24.24	355.13	-5.70	-29.94
C[C@@H](C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025172968	0	49	0.0	-66.99	397.08	-1.11	-68.10
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172971	0	53	0.0	-70.17	410.80	0.11	-70.06
C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025172971	1	53	0.0	-68.96	420.11	0.28	-68.68
C[N@@H+]1CCC(=CC(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025173003	0	51	0.0	-71.43	417.85	0.02	-71.41
C[N@H+]1CCC(=CC(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025173003	1	51	0.0	-71.16	417.83	0.03	-71.13
C[C@H](C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025173020	0	49	0.0	-66.19	397.12	-1.09	-67.28
CC1C[NH+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025173034	1	50	0.0	-73.50	409.45	-0.21	-73.71
C[N@H+](CCO)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173047	1	50	0.0	-68.82	407.06	-4.09	-72.91
C[N@@H+](CCO)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173047	1	50	0.0	-73.35	406.02	-3.89	-77.24
CC[N@H+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173059	0	49	0.0	-67.92	396.71	-0.85	-68.77
CC[N@@H+](C)CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173059	1	49	0.0	-73.44	395.89	-0.63	-74.07
CC[N@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025173069	0	53	0.0	-69.97	427.37	0.75	-69.22
CC[N@@H+](CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025173069	1	53	0.0	-69.85	422.94	0.46	-69.39
C[NH+](C)CC=CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173088	0	50	0.0	-71.56	416.20	-0.26	-71.82
CC[N@@H+]1CCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173105	1	50	0.0	-72.12	402.06	-0.47	-72.59
CC[N@H+]1CCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173105	1	50	0.0	-72.06	409.78	-0.30	-72.36
C=CCC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025173124	0	53	0.0	-65.44	421.91	-0.03	-65.47
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COCC[C@@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300025173131	0	51	0.0	-67.88	414.45	0.39	-67.49
C[NH+](C)C(C)(C)C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173136	0	52	0.0	-73.93	403.16	-0.09	-74.02
C[N@@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173146	0	53	0.0	-70.15	410.81	0.11	-70.04
C[N@H+]1CCCCC1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173146	1	53	0.0	-70.92	410.79	0.12	-70.80
C[NH+](C)C1(C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025173178	0	50	0.0	-73.20	404.06	-0.31	-73.51
O=C(CC[NH+]1CCCC1)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173179	0	53	0.0	-68.73	425.72	0.10	-68.63
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025173189	0	51	0.0	-73.35	409.97	-0.12	-73.47
C[N@H+]1CC2CC1(C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025173189	1	51	0.0	-75.17	408.55	-0.20	-75.37
CC(C[NH+](C)C)C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173223	0	52	0.0	-73.39	416.56	-0.05	-73.44
CC(C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025173242	1	53	0.0	-70.75	428.51	0.36	-70.39
CC1CC[N@@H+]1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173243	1	50	0.0	-65.99	404.69	-0.71	-66.70
CC1CC[N@H+]1CC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173243	1	50	0.0	-71.25	403.89	-0.50	-71.75
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025173271	0	53	0.0	-67.85	428.53	0.22	-67.63
C[N@@H+]1CCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173431	0	50	0.0	-67.26	398.11	-0.77	-68.03
C[N@H+]1CCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173431	1	50	0.0	-65.79	398.16	-0.76	-66.55
C[N@@H+]1CCC(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025173598	0	53	0.0	-70.45	425.31	0.10	-70.35
C[N@H+]1CCC(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025173598	1	53	0.0	-69.78	423.98	0.27	-69.51
CCC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025173601	0	52	0.0	-65.44	412.40	0.26	-65.18
CCC[N@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173613	0	52	0.0	-69.56	418.21	-0.10	-69.66
CCC[N@@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173613	1	52	0.0	-67.89	417.38	0.10	-67.79
C[NH+](C)CC1(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025173649	0	53	0.0	-70.01	428.24	0.43	-69.58
CC[N@H+](C)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173654	0	52	0.0	-70.17	419.07	-0.30	-70.47
CC[N@@H+](C)CCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173654	1	52	0.0	-70.30	419.07	-0.29	-70.59
C[NH+]1CCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025173676	0	53	0.0	-72.50	423.57	0.14	-72.36
C[NH+](C)C1(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025173708	0	53	0.0	-63.85	412.26	0.18	-63.67
CC1CCC[N@@H+]1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173730	0	53	0.0	-64.81	424.19	0.35	-64.46
CC1CCC[N@H+]1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173730	1	53	0.0	-64.96	423.32	0.46	-64.50
CC1CC[N@H+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025173747	0	53	0.0	-67.22	423.52	0.44	-66.78
CC1CC[N@@H+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025173747	1	53	0.0	-67.08	424.18	0.43	-66.65
CC[C@@H](C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025173749	0	52	0.0	-64.89	408.76	-0.30	-65.19
CC1=[NH+]C=CN1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173784	1	48	0.0	-65.15	407.58	0.30	-64.85
CC1=C[NH+]=CN1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173802	1	48	0.0	-67.90	408.76	0.83	-67.07
C[C@@H]1[C@H](C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025173803	0	53	0.0	-68.91	414.56	-0.33	-69.24
C[C@@H]1[C@H](C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025173803	1	53	0.0	-67.96	421.00	-0.05	-68.01
C[N@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025173830	0	53	0.0	-66.02	424.38	0.68	-65.34
C[N@@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025173830	1	53	0.0	-66.10	424.29	0.68	-65.42
C[NH+]1CCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025173835	0	53	0.0	-72.50	423.57	0.14	-72.36
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173847	0	50	0.0	-67.22	398.10	-0.77	-67.99
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173847	1	50	0.0	-64.40	404.64	-0.31	-64.71
C[N@@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173887	0	53	0.0	-63.99	420.13	0.30	-63.69
C[N@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173887	1	53	0.0	-65.06	410.80	0.11	-64.95
CC1C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025173915	0	53	0.0	-66.94	424.01	0.26	-66.68
CC1C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025173915	1	53	0.0	-68.94	415.86	-0.14	-69.08
C[C@@H](C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025173952	0	49	0.0	-65.76	396.28	-0.91	-66.67
O=C(CC[NH+]1CCCC1)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173969	0	53	0.0	-69.74	427.30	0.21	-69.53
C[N@H+](CCO)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173974	1	50	0.0	-69.63	407.06	-4.08	-73.71
C[N@@H+](CCO)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025173974	1	50	0.0	-67.95	405.99	-3.87	-71.82
CC1C[NH+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025174012	1	50	0.0	-69.37	410.27	-0.41	-69.78
CC[N@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174041	0	49	0.0	-69.16	396.71	-0.84	-70.00
CC[N@@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174041	1	49	0.0	-67.52	395.88	-0.64	-68.16
CC[N@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025174094	0	53	0.0	-64.49	426.76	0.72	-63.77
CC[N@@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025174094	1	53	0.0	-66.07	419.51	0.60	-65.47
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025174106	1	51	0.0	-69.89	411.25	-0.37	-70.26
C[N@H+]1CC2CC1(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025174106	1	51	0.0	-66.22	408.18	0.06	-66.16
CC(C[NH+](C)C)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174115	0	52	0.0	-68.41	416.59	-0.06	-68.47
C[NH+](C)C1(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025174121	0	50	0.0	-70.81	400.09	0.23	-70.58
C[C@H](C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025174130	0	49	0.0	-66.56	396.31	-0.89	-67.45
CC[N@@H+]1CCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174133	1	50	0.0	-65.68	402.72	-0.66	-66.34
CC[N@H+]1CCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174133	1	50	0.0	-65.17	402.72	-0.67	-65.84
NC1=CC=[NH+]C=C1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174143	0	46	0.0	-69.08	387.46	-3.03	-72.11
C[NH+](C)C(C)(C)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174149	0	52	0.0	-70.51	406.46	-0.36	-70.87
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300025174210	0	51	0.0	-69.50	414.44	0.38	-69.12
C[N@@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174216	0	53	0.0	-63.99	420.13	0.30	-63.69
C[N@H+]1CCCCC1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174216	1	53	0.0	-65.06	410.80	0.11	-64.95
C[N@@H+]1CCC(=CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025174237	0	51	0.0	-71.52	417.83	0.02	-71.50
C[N@H+]1CCC(=CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025174237	1	51	0.0	-71.16	417.02	0.23	-70.93
[N-]=[N+]=NCC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025174244	0	40	0.0	-23.17	355.94	-5.92	-29.09
CCC1C[NH+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025174258	1	53	0.0	-68.39	430.80	0.55	-67.84
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174263	0	50	0.0	-66.07	404.77	-0.48	-66.55
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174263	1	50	0.0	-67.65	399.00	-0.95	-68.60
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025174296	0	53	0.0	-67.60	427.69	0.42	-67.18
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C[NH+]1CCCCC1	REAL300025174334	0	53	0.0	-67.14	419.92	0.56	-66.58
C[N@@H+]1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025174335	0	53	0.0	-64.23	417.29	0.32	-63.91
C[N@H+]1CCCC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025174335	1	53	0.0	-63.08	417.28	0.31	-62.77
CN1C=C[N+](CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025174336	0	48	0.0	-65.63	409.40	2.20	-63.43
C[N@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025174346	0	50	0.0	-65.25	407.44	0.10	-65.15
C[N@@H+](CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025174346	1	50	0.0	-65.57	407.56	0.10	-65.47
C[NH+]1CC(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025174395	0	50	0.0	-69.41	410.42	-0.69	-70.10
C[NH+](C)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174401	0	46	0.0	-69.80	378.99	-1.50	-71.30
C[C@@H](C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025174409	0	49	0.0	-65.76	396.28	-0.91	-66.67
CC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025174423	1	53	0.0	-66.77	426.84	0.21	-66.56
CC1CC[N@@H+]1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174424	1	50	0.0	-66.71	409.48	-0.24	-66.95
CC1CC[N@H+]1CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174424	1	50	0.0	-67.02	404.69	-0.71	-67.73
C[NH+](C)CC=CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174426	0	50	0.0	-72.06	416.21	-0.24	-72.30
CC[NH+](CC)CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174442	0	52	0.0	-66.20	414.19	0.04	-66.16
CC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025174486	1	50	0.0	-66.59	406.72	-0.48	-67.07
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174507	0	53	0.0	-66.83	411.62	-0.09	-66.92
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174507	1	53	0.0	-66.37	420.95	0.09	-66.28
C=CCC(C(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025174526	0	53	0.0	-64.14	421.84	0.18	-63.96
NC(=[NH2+])SCC(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174547	0	44	0.0	-68.45	387.53	-4.67	-73.12
CCC1C[NH+](CC(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025174596	1	53	0.0	-68.78	431.60	0.35	-68.43
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174600	0	50	0.0	-70.13	403.95	-0.27	-70.40
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174600	1	50	0.0	-73.27	398.18	-0.75	-74.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COCC[C@@H]1NC(=O)C[NH+]1CCCCC1	REAL300025174606	0	53	0.0	-67.35	421.08	0.36	-66.99
CC1C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025174610	0	53	0.0	-74.36	413.62	-0.22	-74.58
CC1C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025174610	1	53	0.0	-73.57	418.01	0.07	-73.50
C[N@@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174809	0	49	0.0	-64.92	398.96	0.90	-64.02
C[N@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174809	1	49	0.0	-65.01	400.88	0.86	-64.15
C[N@@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025174833	1	50	0.0	-77.45	410.93	0.36	-77.09
C[N@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025174833	1	50	0.0	-76.05	410.69	0.38	-75.67
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174977	0	55	0.0	-62.69	433.42	1.91	-60.78
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025174977	1	55	0.0	-63.65	435.02	2.16	-61.49
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175000	1	47	0.0	-65.91	402.68	1.56	-64.35
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1C[NH+]2CCC1CC2	REAL300025175020	0	53	0.0	-68.40	415.52	1.58	-66.82
C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025175048	0	52	0.0	-68.50	410.79	1.14	-67.36
C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025175048	1	52	0.0	-67.86	415.45	1.38	-66.48
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025175050	0	55	0.0	-67.05	431.15	1.53	-65.52
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025175050	1	55	0.0	-68.25	435.14	1.98	-66.27
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175055	1	53	0.0	-77.16	428.47	1.03	-76.13
CC[N@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175055	1	53	0.0	-74.09	428.43	1.03	-73.06
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175100	0	55	0.0	-65.62	432.70	2.00	-63.62
O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175102	0	55	0.0	-69.31	442.09	2.41	-66.90
O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175105	0	55	0.0	-68.06	438.48	2.24	-65.82
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175108	0	55	0.0	-61.81	434.25	2.05	-59.76
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175108	1	55	0.0	-65.37	433.06	2.17	-63.20
C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025175118	0	52	0.0	-63.31	408.54	1.31	-62.00
CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025175124	0	54	0.0	-64.16	420.50	1.55	-62.61
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025175142	0	52	0.0	-65.51	420.69	1.80	-63.71
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025175142	1	52	0.0	-65.71	420.59	1.79	-63.92
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175196	1	51	0.0	-64.34	421.13	1.57	-62.77
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175196	1	51	0.0	-65.98	425.83	2.23	-63.75
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175201	0	55	0.0	-69.91	440.66	2.44	-67.47
C[N@H+]1CCCC1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175201	1	55	0.0	-68.20	435.20	1.97	-66.23
C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025175217	0	52	0.0	-68.94	419.04	1.48	-67.46
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175244	0	52	0.0	-67.30	405.93	1.36	-65.94
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175244	1	52	0.0	-66.61	415.24	1.54	-65.07
O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175297	1	53	0.0	-71.21	429.74	-0.18	-71.39
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175309	1	47	0.0	-66.24	404.23	2.16	-64.08
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2	REAL300025175325	0	53	0.0	-69.19	417.91	1.93	-67.26
C[N@@H+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175330	0	52	0.0	-70.73	419.56	1.54	-69.19
C[N@H+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175330	1	52	0.0	-69.18	421.03	1.41	-67.77
CCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025175336	0	51	0.0	-66.33	406.90	1.12	-65.21
C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175383	0	54	0.0	-71.38	438.64	2.09	-69.29
CC(C)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025175394	0	54	0.0	-67.27	424.05	1.86	-65.41
CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175395	0	54	0.0	-69.33	435.12	1.86	-67.47
CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175395	1	54	0.0	-69.49	435.12	1.85	-67.64
CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175398	0	51	0.0	-68.84	412.50	1.35	-67.49
CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175398	1	51	0.0	-68.80	412.50	1.36	-67.44
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300025175411	0	53	0.0	-68.43	416.03	1.04	-67.39
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300025175411	1	53	0.0	-67.77	416.25	0.99	-66.78
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175433	0	49	0.0	-67.06	394.40	0.37	-66.69
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175433	1	49	0.0	-66.12	398.35	1.00	-65.12
CC[NH+](CC)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175460	0	51	0.0	-65.94	405.12	0.98	-64.96
CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025175513	0	55	0.0	-69.04	435.87	2.42	-66.62
C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025175531	0	52	0.0	-65.51	423.58	1.78	-63.73
C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025175577	0	52	0.0	-68.94	419.04	1.48	-67.46
CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025175592	0	54	0.0	-67.66	420.01	1.81	-65.85
CCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025175619	0	57	0.0	-62.97	438.28	2.33	-60.64
CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175649	0	51	0.0	-69.98	413.38	1.15	-68.83
CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175649	1	51	0.0	-68.81	413.63	1.11	-67.70
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175672	0	52	0.0	-63.82	413.24	1.20	-62.62
CC1CCC[N@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175672	1	52	0.0	-64.80	419.63	1.59	-63.21
CC1CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175673	0	52	0.0	-66.17	419.85	1.50	-64.67
CC1CC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175673	1	52	0.0	-68.14	419.32	1.67	-66.47
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175675	0	55	0.0	-68.16	438.50	2.18	-65.98
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175675	1	55	0.0	-66.97	438.51	2.15	-64.82
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025175676	0	57	0.0	-67.43	444.10	2.31	-65.12
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025175676	1	57	0.0	-68.24	443.06	2.50	-65.74
CC[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025175683	0	51	0.0	-64.20	404.69	0.85	-63.35
C[NH+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175755	0	45	0.0	-69.23	373.28	-0.06	-69.29
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCCCC1	REAL300025175758	0	55	0.0	-68.65	424.24	1.98	-66.67
CN1C=C[N+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025175761	0	47	0.0	-65.46	405.71	3.32	-62.14
C[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175765	0	52	0.0	-69.70	417.86	1.56	-68.14
C[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175765	1	52	0.0	-67.69	419.06	1.42	-66.27
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300025175770	0	53	0.0	-64.69	425.67	2.16	-62.53
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@H+]1C1CC1	REAL300025175770	1	53	0.0	-65.67	422.18	1.57	-64.10
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025175782	1	49	0.0	-65.37	402.23	0.85	-64.52
CCC(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025175786	0	57	0.0	-65.86	449.71	2.43	-63.43
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175791	0	54	0.0	-67.53	420.81	1.64	-65.89
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCC(O)CC1	REAL300025175802	1	53	0.0	-71.20	427.67	-1.66	-72.86
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025175803	0	49	0.0	-65.11	403.74	1.22	-63.89
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025175803	1	49	0.0	-65.32	403.87	1.22	-64.10
C[NH+]1CC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175817	0	49	0.0	-69.24	404.56	0.77	-68.47
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175827	0	55	0.0	-63.96	418.37	1.38	-62.58
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175827	1	55	0.0	-67.29	415.67	1.48	-65.81
C[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025175837	0	48	0.0	-65.64	392.69	0.20	-65.44
[N-]=[N+]=NCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025175844	0	39	0.0	-22.31	351.44	-4.58	-26.89
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175886	0	45	0.0	-64.14	400.35	0.12	-64.02
C[N@H+](CCO)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175891	0	52	0.0	-69.16	423.98	-2.11	-71.27
C[N@@H+](CCO)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175891	1	52	0.0	-69.29	423.68	-2.07	-71.36
C[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025175892	0	48	0.0	-65.64	392.69	0.20	-65.44
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175895	0	52	0.0	-67.31	405.94	1.36	-65.95
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175895	1	52	0.0	-66.60	415.25	1.55	-65.05
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175954	0	50	0.0	-72.41	411.18	1.52	-70.89
C[N@H+]1CCC(=CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025175954	1	50	0.0	-72.40	411.17	1.53	-70.87
C[NH+](C)CCOCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025175974	0	52	0.0	-68.44	430.34	0.87	-67.57
C=CCC(C)(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025175985	0	55	0.0	-62.76	428.68	1.96	-60.80
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176002	0	53	0.0	-67.04	422.41	-1.79	-68.83
CC1CN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025176019	0	49	0.0	-68.67	404.54	1.03	-67.64
CC1C[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025176019	1	49	0.0	-68.67	404.54	1.03	-67.64
CN(CCO)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176036	0	49	0.0	-68.84	401.36	-2.63	-71.47
C[N@H+](CCO)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176036	1	49	0.0	-69.20	401.15	-2.62	-71.82
C[N@@H+](CCO)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176036	1	49	0.0	-69.20	401.15	-2.62	-71.82
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025176055	0	55	0.0	-62.63	429.27	2.42	-60.21
CC[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025176055	1	55	0.0	-62.63	429.27	2.42	-60.21
CC(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025176057	0	54	0.0	-69.75	431.59	1.80	-67.95
CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176060	0	48	0.0	-67.31	392.20	0.48	-66.83
CC[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025176084	0	52	0.0	-64.94	419.89	1.88	-63.06
CC[NH+](CC)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176092	0	54	0.0	-69.58	426.87	1.58	-68.00
CC1(O)CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025176122	0	53	0.0	-68.53	429.68	-1.66	-70.19
C[NH+](C)CC=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176125	0	49	0.0	-70.46	410.41	1.04	-69.42
COCCN(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176138	0	52	0.0	-69.28	423.41	-0.22	-69.50
COCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176138	1	52	0.0	-68.95	423.61	-0.22	-69.17
COCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176138	1	52	0.0	-68.95	423.61	-0.22	-69.17
C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025176155	0	55	0.0	-70.18	424.70	2.08	-68.10
CC(CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025176157	0	54	0.0	-70.92	426.76	1.68	-69.24
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176163	1	49	0.0	-66.42	406.12	0.78	-65.64
CC[N@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176163	1	49	0.0	-66.20	406.10	0.84	-65.36
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[N@H+]1CCCC1CO	REAL300025176173	0	53	0.0	-67.93	422.92	-2.01	-69.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[N@@H+]1CCCC1CO	REAL300025176173	1	53	0.0	-65.83	428.60	-1.70	-67.53
C[NH+]1CCC(C)(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025176189	0	55	0.0	-68.66	431.70	1.90	-66.76
C=CCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025176205	0	52	0.0	-64.52	416.33	1.40	-63.12
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176212	0	55	0.0	-67.15	434.36	1.52	-65.63
C[N@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176212	1	55	0.0	-64.43	434.88	1.43	-63.00
C[NH+](C)CCCCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176214	0	57	0.0	-70.92	460.14	2.86	-68.06
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300025176219	0	50	0.0	-67.05	409.77	1.70	-65.35
CCCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025176231	0	54	0.0	-66.81	428.40	1.88	-64.93
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176234	0	51	0.0	-66.83	401.62	0.99	-65.84
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176257	0	52	0.0	-67.30	405.93	1.36	-65.94
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176257	1	52	0.0	-66.61	415.24	1.54	-65.07
C[N@H+]1CC=C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025176276	0	53	0.0	-68.69	432.42	2.27	-66.42
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025176276	1	53	0.0	-66.38	433.60	2.15	-64.23
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176306	0	53	0.0	-70.99	434.19	2.28	-68.71
C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025176332	0	49	0.0	-69.51	396.39	1.45	-68.06
O=C(CC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176333	0	52	0.0	-69.50	421.61	1.67	-67.83
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1C[NH+]2CCN1CC2	REAL300025176354	0	52	0.0	-76.25	409.67	-1.56	-77.81
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025176358	0	50	0.0	-70.60	404.03	1.16	-69.44
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025176358	1	50	0.0	-66.04	405.24	0.92	-65.12
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300025176363	0	53	0.0	-66.52	417.17	1.83	-64.69
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[N@H+]1CC2CCC1C2	REAL300025176363	1	53	0.0	-65.60	417.52	1.87	-63.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300025176398	1	51	0.0	-65.04	412.53	1.76	-63.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[N@H+]1CC2C=CC1C2	REAL300025176398	1	51	0.0	-64.00	413.56	1.70	-62.30
CC(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176428	0	51	0.0	-67.85	412.72	1.09	-66.76
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176467	0	55	0.0	-61.64	425.02	2.00	-59.64
C[N@H+]1CCCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176467	1	55	0.0	-68.50	433.70	2.02	-66.48
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025176476	1	52	0.0	-65.28	421.89	1.51	-63.77
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176478	1	49	0.0	-65.42	400.18	0.64	-64.78
CC1CC[N@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176478	1	49	0.0	-65.54	405.78	0.90	-64.64
C[NH+](C)CC(O)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176480	0	52	0.0	-72.08	427.17	-1.20	-73.28
CC1C[N@H+](C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025176497	1	53	0.0	-72.86	425.92	0.83	-72.03
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025176497	1	53	0.0	-76.29	426.34	0.96	-75.33
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025176535	0	52	0.0	-69.75	423.06	1.63	-68.12
CC(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176539	0	54	0.0	-68.44	434.49	1.69	-66.75
C[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025176554	1	54	0.0	-67.90	432.54	-0.60	-68.50
C[N@@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176724	0	49	0.0	-64.92	398.96	0.90	-64.02
C[N@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176724	1	49	0.0	-65.01	400.88	0.86	-64.15
C[N@@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025176750	1	50	0.0	-77.45	410.93	0.36	-77.09
C[N@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025176750	1	50	0.0	-76.05	410.69	0.38	-75.67
O=C(CC[NH+]1CCOCC1)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176898	1	53	0.0	-71.21	429.74	-0.18	-71.39
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2	REAL300025176906	0	53	0.0	-69.19	417.91	1.93	-67.26
C[N@@H+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025176929	0	52	0.0	-70.73	419.56	1.54	-69.19
C[N@H+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025176929	1	52	0.0	-69.18	421.03	1.41	-67.77
CCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025176935	0	51	0.0	-66.33	406.90	1.12	-65.21
C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176967	0	54	0.0	-71.38	438.64	2.09	-69.29
CC(C)C(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025176980	0	54	0.0	-67.27	424.05	1.86	-65.41
CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176981	0	54	0.0	-69.33	435.12	1.86	-67.47
CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176981	1	54	0.0	-69.49	435.12	1.85	-67.64
CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176984	0	51	0.0	-68.84	412.50	1.35	-67.49
CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176984	1	51	0.0	-68.80	412.50	1.36	-67.44
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300025176997	0	53	0.0	-68.43	416.03	1.04	-67.39
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300025176997	1	53	0.0	-67.77	416.25	0.99	-66.78
CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025177022	0	55	0.0	-69.04	435.87	2.42	-66.62
C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025177059	0	52	0.0	-65.51	423.58	1.78	-63.73
CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177076	0	51	0.0	-69.98	413.38	1.15	-68.83
CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177076	1	51	0.0	-68.81	413.63	1.11	-67.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1C[NH+]2CCC1CC2	REAL300025177088	0	53	0.0	-68.40	415.52	1.58	-66.82
C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025177126	0	52	0.0	-68.94	419.04	1.48	-67.46
CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025177141	0	54	0.0	-67.66	420.01	1.81	-65.85
C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025177204	0	52	0.0	-63.31	408.54	1.31	-62.00
CCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025177231	0	57	0.0	-62.97	438.28	2.33	-60.64
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177240	0	52	0.0	-63.82	413.24	1.20	-62.62
CC1CCC[N@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177240	1	52	0.0	-64.80	419.63	1.59	-63.21
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177267	0	55	0.0	-62.69	433.42	1.91	-60.78
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177267	1	55	0.0	-63.65	435.02	2.16	-61.49
CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025177274	0	54	0.0	-64.16	420.50	1.55	-62.61
CC1CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025177284	0	52	0.0	-66.17	419.85	1.50	-64.67
CC1CC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025177284	1	52	0.0	-68.14	419.32	1.67	-66.47
CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025177286	0	55	0.0	-68.16	438.50	2.18	-65.98
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025177286	1	55	0.0	-66.97	438.51	2.15	-64.82
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025177287	0	57	0.0	-67.43	444.10	2.31	-65.12
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025177287	1	57	0.0	-68.24	443.06	2.50	-65.74
CC[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025177294	0	51	0.0	-64.20	404.69	0.85	-63.35
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177374	1	47	0.0	-65.91	402.68	1.56	-64.35
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025177417	1	53	0.0	-77.16	428.47	1.03	-76.13
CC[N@H+]1CCOC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025177417	1	53	0.0	-74.09	428.43	1.03	-73.06
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177437	1	47	0.0	-66.24	404.23	2.16	-64.08
C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025177442	0	52	0.0	-68.50	410.79	1.14	-67.36
C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025177442	1	52	0.0	-67.86	415.45	1.38	-66.48
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025177444	0	55	0.0	-67.05	431.15	1.53	-65.52
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025177444	1	55	0.0	-68.25	435.14	1.98	-66.27
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177449	0	55	0.0	-65.62	432.70	2.00	-63.62
O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177451	0	55	0.0	-69.31	442.09	2.41	-66.90
O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177455	0	55	0.0	-68.06	438.48	2.24	-65.82
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177458	0	55	0.0	-61.81	434.25	2.05	-59.76
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177458	1	55	0.0	-65.37	433.06	2.17	-63.20
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025177538	0	52	0.0	-65.51	420.69	1.80	-63.71
C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025177538	1	52	0.0	-65.71	420.59	1.79	-63.92
C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025177562	0	52	0.0	-68.94	419.04	1.48	-67.46
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177584	0	49	0.0	-67.06	394.40	0.37	-66.69
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177584	1	49	0.0	-66.12	398.35	1.00	-65.12
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177601	1	51	0.0	-64.34	421.13	1.57	-62.77
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177601	1	51	0.0	-65.98	425.83	2.23	-63.75
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177606	0	55	0.0	-69.91	440.66	2.44	-67.47
C[N@H+]1CCCC1CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177606	1	55	0.0	-68.20	435.20	1.97	-66.23
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177669	0	52	0.0	-67.30	405.93	1.36	-65.94
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177669	1	52	0.0	-66.61	415.24	1.54	-65.07
CC1C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025177718	0	52	0.0	-66.44	414.55	1.15	-65.29
CC1C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025177718	1	52	0.0	-68.94	411.37	0.96	-67.98
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177768	0	55	0.0	-63.96	418.37	1.38	-62.58
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177768	1	55	0.0	-67.29	415.67	1.48	-65.81
C[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025177781	0	48	0.0	-65.64	392.69	0.20	-65.44
C=CCC(C)(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025177793	0	55	0.0	-62.76	428.68	1.96	-60.80
O=C(CC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177805	0	52	0.0	-69.50	421.61	1.67	-67.83
C[N@H+](CCO)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177813	1	49	0.0	-68.84	401.36	-2.63	-71.47
C[N@@H+](CCO)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177813	1	49	0.0	-69.20	401.15	-2.62	-71.82
C[N@H+]1CC=C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025177859	0	53	0.0	-68.69	432.42	2.27	-66.42
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025177859	1	53	0.0	-66.38	433.60	2.15	-64.23
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177877	0	53	0.0	-69.51	422.58	-2.11	-71.62
C[N@H+]1CC(O)CC1(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177877	1	53	0.0	-67.04	422.41	-1.79	-68.83
CC1C[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025177903	1	49	0.0	-68.67	404.54	1.03	-67.64
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025177909	0	55	0.0	-66.28	436.72	2.09	-64.19
CC[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025177909	1	55	0.0	-62.63	429.27	2.42	-60.21
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300025177920	0	53	0.0	-64.69	425.67	2.16	-62.53
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1CCC[N@H+]1C1CC1	REAL300025177920	1	53	0.0	-65.67	422.18	1.57	-64.10
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177941	0	53	0.0	-70.99	434.19	2.28	-68.71
CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025177978	0	48	0.0	-67.31	392.20	0.48	-66.83
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)CN1CC2C=CC1C2	REAL300025178007	0	51	0.0	-65.04	412.53	1.76	-63.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300025178007	1	51	0.0	-64.00	413.56	1.70	-62.30
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[N@H+]1CC2C=CC1C2	REAL300025178007	1	51	0.0	-64.00	413.56	1.70	-62.30
COCCN(C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178082	0	52	0.0	-69.28	423.41	-0.22	-69.50
COCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178082	1	52	0.0	-68.95	423.61	-0.22	-69.17
COCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178082	1	52	0.0	-68.95	423.61	-0.22	-69.17
CC(CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025178085	0	54	0.0	-70.92	426.76	1.68	-69.24
CC[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025178098	0	52	0.0	-64.94	419.89	1.88	-63.06
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025178123	0	50	0.0	-66.04	405.24	0.92	-65.12
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300025178130	0	53	0.0	-65.60	417.52	1.87	-63.73
CC(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178143	0	51	0.0	-67.85	412.72	1.09	-66.76
C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025178151	0	49	0.0	-69.51	396.39	1.45	-68.06
C[C@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025178167	0	48	0.0	-66.18	392.49	0.23	-65.95
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178171	1	49	0.0	-66.42	406.12	0.78	-65.64
CC[N@H+]1CCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178171	1	49	0.0	-66.20	406.10	0.84	-65.36
CCC(C)(C)[NH2+]C(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178177	0	57	0.0	-64.01	439.08	0.46	-63.55
NC1=CC=[NH+]C=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178200	0	45	0.0	-66.34	382.59	-1.68	-68.02
CCCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025178207	0	54	0.0	-66.81	428.40	1.88	-64.93
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178211	0	51	0.0	-66.83	401.62	0.99	-65.84
CC(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178224	0	54	0.0	-68.44	434.49	1.69	-66.75
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178272	0	55	0.0	-67.15	434.36	1.52	-65.63
C[N@H+]1CC(C)(C)CC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178272	1	55	0.0	-64.43	434.88	1.43	-63.00
C[NH+](C)CCCCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178274	0	57	0.0	-70.92	460.14	2.86	-68.06
C[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025178281	1	54	0.0	-67.90	432.54	-0.60	-68.50
CC1C[N@H+](C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025178322	1	53	0.0	-72.86	425.92	0.83	-72.03
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025178322	1	53	0.0	-76.29	426.34	0.96	-75.33
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300025178349	0	50	0.0	-67.05	409.77	1.70	-65.35
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178366	0	52	0.0	-67.30	405.93	1.36	-65.94
C[N@H+]1CCCCC1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178366	1	52	0.0	-66.61	415.24	1.54	-65.07
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025178424	0	50	0.0	-72.41	411.18	1.52	-70.89
C[N@H+]1CCC(=CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025178424	1	50	0.0	-72.40	411.17	1.53	-70.87
O=C(CNC1=CC=[NH+]C=C1)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178426	0	48	0.0	-68.42	408.99	-0.79	-69.21
[N-]=[N+]=NCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025178449	0	39	0.0	-22.31	351.44	-4.58	-26.89
C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025178476	0	55	0.0	-70.18	424.70	2.08	-68.10
CCC1C[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025178483	1	52	0.0	-68.29	427.11	1.67	-66.62
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178492	0	49	0.0	-64.98	398.98	0.88	-64.10
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178492	1	49	0.0	-66.27	393.24	0.49	-65.78
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025178570	0	52	0.0	-69.75	423.06	1.63	-68.12
C[NH+](C)CCC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025178578	0	55	0.0	-71.47	449.54	2.32	-69.15
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178579	0	53	0.0	-61.84	420.71	1.81	-60.03
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178579	1	53	0.0	-68.88	425.70	1.87	-67.01
C[NH+](C)CCOCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178607	0	52	0.0	-68.44	430.34	0.87	-67.57
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178631	0	45	0.0	-64.14	400.35	0.12	-64.02
C[N@@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025178687	0	52	0.0	-67.69	419.06	1.42	-66.27
C[N@H+]1CCCC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025178687	1	52	0.0	-67.69	419.06	1.42	-66.27
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCCCC1	REAL300025178688	0	55	0.0	-68.65	424.24	1.98	-66.67
CN1C=C[N+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025178691	0	47	0.0	-65.46	405.71	3.32	-62.14
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)CN1CCC(O)CC1	REAL300025178710	0	53	0.0	-71.20	427.67	-1.66	-72.86
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCC(O)CC1	REAL300025178710	1	53	0.0	-71.20	427.67	-1.66	-72.86
C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025178711	0	49	0.0	-65.32	403.87	1.22	-64.10
CC(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025178729	0	54	0.0	-69.75	431.59	1.80	-67.95
CN1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178746	0	53	0.0	-72.67	425.08	-0.36	-73.03
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178746	1	53	0.0	-66.51	417.59	-0.51	-67.02
C[N@H+]1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178746	1	53	0.0	-66.51	417.59	-0.51	-67.02
CC1(O)CC[N@H+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025178807	0	53	0.0	-68.53	429.68	-1.66	-70.19
C[NH+]1CC(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025178828	0	49	0.0	-69.24	404.56	0.77	-68.47
C[N@H+](CCO)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178851	0	52	0.0	-69.29	423.68	-2.07	-71.36
C[N@@H+](CCO)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178851	1	52	0.0	-69.29	423.68	-2.07	-71.36
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178866	0	55	0.0	-68.50	433.70	2.02	-66.48
C[N@H+]1CCCCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178866	1	55	0.0	-68.50	433.70	2.02	-66.48
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)N1CC(C)C1	REAL300025178876	0	52	0.0	-65.28	421.89	1.51	-63.77
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025178876	1	52	0.0	-65.28	421.89	1.51	-63.77
CC1CCN1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178878	0	49	0.0	-65.42	400.18	0.64	-64.78
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178878	1	49	0.0	-65.54	405.78	0.90	-64.64
CC1CC[N@H+]1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178878	1	49	0.0	-65.54	405.78	0.90	-64.64
C[NH+](C)CC=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178884	0	49	0.0	-70.46	410.41	1.04	-69.42
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C[N@H+]1CCCC1CO	REAL300025178923	0	53	0.0	-65.83	428.60	-1.70	-67.53
CC[NH+](CC)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178925	0	51	0.0	-65.94	405.12	0.98	-64.96
CC[NH+](CC)CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025178962	0	54	0.0	-69.58	426.87	1.58	-68.00
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)N1CCC1	REAL300025179012	0	49	0.0	-65.37	402.23	0.85	-64.52
CC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025179012	1	49	0.0	-65.37	402.23	0.85	-64.52
CCC(CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025179017	0	57	0.0	-65.86	449.71	2.43	-63.43
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025179022	0	54	0.0	-67.53	420.81	1.64	-65.89
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025179051	0	52	0.0	-66.60	415.25	1.55	-65.05
C[NH+](C)CC(O)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025179070	0	52	0.0	-72.08	427.17	-1.20	-73.28
C=CCC(C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025179090	0	52	0.0	-64.52	416.33	1.40	-63.12
C[NH+]1CCC(C)(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025179101	0	55	0.0	-68.66	431.70	1.90	-66.76
NC(=[NH2+])SCC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025179122	0	43	0.0	-70.26	381.20	-3.10	-73.36
C[NH+](C)CCC1(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025179145	0	55	0.0	-71.47	449.54	2.32	-69.15
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025179146	0	53	0.0	-68.88	425.70	1.87	-67.01
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025179146	1	53	0.0	-68.88	425.70	1.87	-67.01
CCC1CN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025179227	0	52	0.0	-68.29	427.11	1.67	-66.62
CCC1C[NH+](CC(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025179227	1	52	0.0	-68.29	427.11	1.67	-66.62
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025179232	0	49	0.0	-66.27	393.24	0.49	-65.78
CC1C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025179254	0	52	0.0	-68.94	411.37	0.96	-67.98
CC1C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025179254	1	52	0.0	-68.94	411.37	0.96	-67.98
CN1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025179282	0	53	0.0	-72.67	425.08	-0.36	-73.03
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025179282	1	53	0.0	-66.51	417.59	-0.51	-67.02
C[N@H+]1CCOCC1CC(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025179282	1	53	0.0	-66.51	417.59	-0.51	-67.02
C[N@@H+]1CCCC1C(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179439	0	53	0.0	-68.62	409.63	2.46	-66.16
CCC(C(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025179533	0	55	0.0	-68.80	421.32	2.75	-66.05
CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179537	0	55	0.0	-70.56	429.99	3.33	-67.23
CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179537	1	55	0.0	-70.56	429.99	3.33	-67.23
C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179543	0	53	0.0	-66.99	415.75	3.01	-63.98
CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179546	0	55	0.0	-68.73	426.86	3.28	-65.45
CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179588	0	55	0.0	-70.81	430.85	3.16	-67.65
CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179588	1	55	0.0	-70.81	430.85	3.16	-67.65
CC[C@@H](C(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025179591	0	55	0.0	-68.89	419.43	2.63	-66.26
CC(C(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)N1CCC1	REAL300025179610	0	53	0.0	-67.67	418.50	2.97	-64.70
CC(C(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+]1CCC1	REAL300025179610	1	53	0.0	-67.67	418.50	2.97	-64.70
C[N@H+](CC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300025179617	0	53	0.0	-68.61	420.22	3.16	-65.45
C[NH+]1CC(CC(=O)N[C@]23CCC[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300025179622	0	53	0.0	-70.21	422.03	2.76	-67.45
CC1CN(CC(=O)N[C@]23CCC[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300025179679	0	53	0.0	-72.14	419.59	2.79	-69.35
CC1C[NH+](CC(=O)N[C@]23CCC[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300025179679	1	53	0.0	-72.14	419.59	2.79	-69.35
CN(CCO)CC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179689	0	53	0.0	-70.64	418.84	-0.65	-71.29
C[N@H+](CCO)CC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179689	1	53	0.0	-70.47	418.62	-0.65	-71.12
C[N@@H+](CCO)CC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179689	1	53	0.0	-70.47	418.62	-0.65	-71.12
CC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179694	0	52	0.0	-70.16	408.49	2.59	-67.57
C[NH+](C)CC=CC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179709	0	53	0.0	-72.72	428.03	3.01	-69.71
CCN1CCC1C(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179714	0	53	0.0	-68.53	415.42	2.50	-66.03
CC[N@@H+]1CCC1C(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179714	1	53	0.0	-68.65	422.38	2.96	-65.69
CC[N@H+]1CCC1C(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179714	1	53	0.0	-68.65	422.38	2.96	-65.69
CC(C[NH+](C)C)C(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179757	0	55	0.0	-70.90	428.98	3.03	-67.87
CC1CCN1CC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179767	0	53	0.0	-69.60	415.16	2.49	-67.11
CC1CC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179767	1	53	0.0	-70.44	420.64	2.73	-67.71
CC1CC[N@H+]1CC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025179767	1	53	0.0	-70.44	420.64	2.73	-67.71
C[N@@H+]1CCCC1C(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025179879	0	53	0.0	-66.48	411.57	2.65	-63.83
CCC(C(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12)[NH+](C)C	REAL300025179953	0	55	0.0	-67.45	415.17	2.41	-65.04
CCC[N@H+](C)CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025179956	0	55	0.0	-69.60	429.87	3.15	-66.45
CCC[N@@H+](C)CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025179956	1	55	0.0	-69.60	429.87	3.15	-66.45
CC[N@H+](C)CCC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025179972	0	55	0.0	-72.26	429.57	2.84	-69.42
CC[N@@H+](C)CCC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025179972	1	55	0.0	-72.26	429.57	2.84	-69.42
CC[C@@H](C(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12)[NH+](C)C	REAL300025179998	0	55	0.0	-66.07	418.60	2.59	-63.48
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180035	0	53	0.0	-66.57	411.99	2.49	-64.08
CN(CCO)CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180090	0	53	0.0	-69.78	418.85	-0.88	-70.66
C[N@H+](CCO)CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180090	1	53	0.0	-69.86	418.51	-0.84	-70.70
C[N@@H+](CCO)CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180090	1	53	0.0	-69.86	418.51	-0.84	-70.70
CC1CN(CC(=O)N2CC[C@@]3(NC(=O)CSC4=NNC(=O)[N-]4)CCC[C@@H]23)C1	REAL300025180106	0	53	0.0	-70.76	420.67	2.68	-68.08
CC1C[NH+](CC(=O)N2CC[C@@]3(NC(=O)CSC4=NNC(=O)[N-]4)CCC[C@@H]23)C1	REAL300025180106	1	53	0.0	-70.76	420.67	2.68	-68.08
CC[N@H+](C)CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180122	0	52	0.0	-69.12	408.27	2.39	-66.73
CC(C[NH+](C)C)C(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180149	0	55	0.0	-70.74	428.42	2.78	-67.96
C[C@H](C(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12)[NH+](C)C	REAL300025180153	0	52	0.0	-69.73	407.90	2.16	-67.57
CC[N@@H+]1CCC1C(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180156	1	53	0.0	-68.40	421.51	2.63	-65.77
CC[N@H+]1CCC1C(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180156	1	53	0.0	-69.64	419.85	2.55	-67.09
[N-]=[N+]=NCC(=O)N1CC[C@@]2(NC(=O)CSC3=NC(=O)NN3)CCC[C@@H]12	REAL300025180206	0	43	0.0	-22.08	367.73	-2.69	-24.77
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180215	0	53	0.0	-65.54	411.79	2.46	-63.08
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180215	1	53	0.0	-67.17	409.18	2.23	-64.94
C[N@H+](CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12)C1CC1	REAL300025180245	0	53	0.0	-66.35	419.89	3.27	-63.08
C[N@@H+](CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12)C1CC1	REAL300025180245	1	53	0.0	-68.36	418.92	3.01	-65.35
C[NH+]1CC(CC(=O)N2CC[C@@]3(NC(=O)CSC4=NNC(=O)[N-]4)CCC[C@@H]23)C1	REAL300025180269	0	53	0.0	-69.73	422.03	2.73	-67.00
C[NH+](C)CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180272	0	49	0.0	-70.10	390.67	1.72	-68.38
C[C@@H](C(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12)[NH+](C)C	REAL300025180275	0	52	0.0	-68.85	405.81	1.93	-66.92
CC1CC[N@@H+]1CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180282	1	53	0.0	-69.55	420.72	2.67	-66.88
CC1CC[N@H+]1CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180282	1	53	0.0	-67.50	421.91	2.93	-64.57
C[NH+](C)CC=CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180283	0	53	0.0	-72.84	425.81	2.91	-69.93
CC[NH+](CC)CC(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300025180289	0	55	0.0	-67.76	426.46	3.21	-64.55
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CCC[C@H]1N(C(=O)C[NH+]1CCC1)CC2	REAL300025180290	1	50	0.0	-69.55	401.07	2.18	-67.37
CC(C(=O)N1CC[C@@]2(NC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12)[NH+]1CCC1	REAL300025180308	1	53	0.0	-68.05	412.99	2.37	-65.68
NC(=[NH2+])SCC(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025180339	0	47	0.0	-70.49	399.29	-1.20	-71.69
C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025180367	0	53	0.0	-67.05	416.53	2.96	-64.09
C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025180367	1	53	0.0	-69.18	410.15	2.29	-66.89
C[NH+](C)CC(=O)NC1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C1C2	REAL300025180485	0	52	0.0	-71.88	398.99	2.38	-69.50
C[C@@H](C(=O)NC1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C1C2)[NH+](C)C	REAL300025180490	0	55	0.0	-58.42	418.49	2.87	-55.55
[N-]=[N+]=NCC(=O)NC1CCC2CCN(C(=O)CSC3=NC(=O)NN3)C1C2	REAL300025180493	0	46	0.0	-20.93	377.35	-1.93	-22.86
C[C@@H](C(=O)NC1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C1C2)[NH+](C)C	REAL300025180503	0	55	0.0	-58.42	418.49	2.87	-55.55
C[C@H](C(=O)NC1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C1C2)[NH+](C)C	REAL300025180516	0	55	0.0	-57.64	418.68	2.93	-54.71
CC[N@H+](C)CC(=O)NC1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C1C2	REAL300025180528	0	55	0.0	-58.85	418.40	3.20	-55.65
CC[N@@H+](C)CC(=O)NC1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C1C2	REAL300025180528	1	55	0.0	-59.37	418.14	3.27	-56.10
C[C@@H](C(=O)N1CCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1C2)[NH+](C)C	REAL300025180674	0	55	0.0	-68.82	416.85	2.79	-66.03
CC[N@H+](C)CC(=O)N1CCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1C2	REAL300025180693	0	55	0.0	-72.63	417.23	2.99	-69.64
CC[N@@H+](C)CC(=O)N1CCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1C2	REAL300025180693	1	55	0.0	-71.49	418.36	3.10	-68.39
C[C@H](C(=O)N1CCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1C2)[NH+](C)C	REAL300025180706	0	55	0.0	-71.67	413.73	2.66	-69.01
[N-]=[N+]=NCC(=O)N1CCC2CCC(NC(=O)CSC3=NC(=O)NN3)C1C2	REAL300025180731	0	46	0.0	-21.89	377.33	-2.00	-23.89
C[NH+](C)CC(=O)N1CCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1C2	REAL300025180762	0	52	0.0	-71.77	400.36	2.41	-69.36
C[C@@H](C(=O)N1CCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C1C2)[NH+](C)C	REAL300025180765	0	55	0.0	-68.82	416.85	2.79	-66.03
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CCN(C(=O)C[NH+]3CCC3)C1C2	REAL300025180772	1	53	0.0	-71.63	410.97	2.92	-68.71
C[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025180971	0	50	0.0	-75.01	397.68	2.08	-72.93
C[N@H+]1CCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025180971	1	50	0.0	-71.04	397.26	2.06	-68.98
C[N@@H+]1CCOC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025180995	1	51	0.0	-88.37	414.69	1.97	-86.40
C[N@H+]1CCOC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025180995	1	51	0.0	-84.36	415.03	1.95	-82.41
CC1=[NH+]C=CN1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181134	1	48	0.0	-71.04	406.89	3.10	-67.94
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025181153	0	53	0.0	-74.44	415.06	2.72	-71.72
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025181153	1	53	0.0	-73.45	419.65	3.00	-70.45
C[NH+](C)C1(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CCC1	REAL300025181174	0	53	0.0	-81.33	410.18	2.64	-78.69
CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025181176	0	55	0.0	-69.39	424.47	3.18	-66.21
C[N@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025181186	0	53	0.0	-71.70	423.60	3.52	-68.18
C[N@@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025181186	1	53	0.0	-71.48	423.53	3.51	-67.97
C[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025181212	0	53	0.0	-80.20	422.17	3.17	-77.03
C[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181218	0	53	0.0	-72.36	410.20	2.92	-69.44
C[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181218	1	53	0.0	-71.80	419.27	3.13	-68.67
CC1=C[NH+]=CN1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181235	1	48	0.0	-72.25	406.20	3.80	-68.45
C[N@@H+]1CCC(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025181245	0	53	0.0	-76.75	423.83	3.13	-73.62
C[N@H+]1CCC(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025181245	1	53	0.0	-77.96	424.14	3.12	-74.84
CCC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025181248	0	52	0.0	-71.09	409.96	2.68	-68.41
C[NH+](C)CCCCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181262	0	55	0.0	-77.43	443.15	3.60	-73.83
CC(C)C(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025181266	0	55	0.0	-73.75	426.71	3.72	-70.03
CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181267	0	55	0.0	-76.39	439.05	3.47	-72.92
CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181267	1	55	0.0	-76.59	439.05	3.46	-73.13
CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181268	0	52	0.0	-73.73	416.92	2.90	-70.83
CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181268	1	52	0.0	-73.63	416.93	2.91	-70.72
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181283	0	50	0.0	-75.49	397.82	2.02	-73.47
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181283	1	50	0.0	-70.94	402.65	2.57	-68.37
CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181295	0	52	0.0	-71.81	409.40	2.55	-69.26
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025181349	0	53	0.0	-74.27	422.86	3.85	-70.42
C[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025181373	0	53	0.0	-80.20	422.17	3.17	-77.03
CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025181388	0	55	0.0	-73.88	427.82	3.59	-70.29
CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181416	0	52	0.0	-75.63	417.56	2.74	-72.89
CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181416	1	52	0.0	-75.81	417.56	2.74	-73.07
CC1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181427	0	53	0.0	-70.13	416.18	2.87	-67.26
CC1CCC[N@H+]1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181427	1	53	0.0	-70.95	422.61	3.32	-67.63
CC1CC[N@H+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025181428	0	53	0.0	-72.40	423.49	3.17	-69.23
CC1CC[N@@H+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025181428	1	53	0.0	-72.95	423.84	3.27	-69.68
CC[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025181430	0	52	0.0	-71.15	410.95	2.69	-68.46
C[NH+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181467	0	46	0.0	-74.02	377.48	1.51	-72.51
CN1C=C[N+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300025181468	0	48	0.0	-70.63	408.93	5.00	-65.63
C[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025181471	0	53	0.0	-75.16	422.18	3.13	-72.03
C[N@H+]1CCCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025181471	1	53	0.0	-66.06	415.60	3.35	-62.71
CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025181479	1	50	0.0	-70.55	405.36	2.50	-68.05
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181482	0	55	0.0	-72.27	425.26	3.22	-69.05
C[N@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025181489	0	50	0.0	-70.77	406.70	2.93	-67.84
C[N@@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025181489	1	50	0.0	-71.03	406.84	2.94	-68.09
C[NH+]1CC(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025181500	0	50	0.0	-74.14	408.90	2.34	-71.80
C[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025181512	0	49	0.0	-70.95	395.69	1.92	-69.03
[N-]=[N+]=NCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NC(=O)NN1)C2	REAL300025181519	0	40	0.0	-25.27	354.44	-2.87	-28.14
C[N@H+](CCO)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181551	0	53	0.0	-75.95	427.92	-0.48	-76.43
C[N@@H+](CCO)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181551	1	53	0.0	-74.71	427.89	-0.51	-75.22
C[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025181552	0	49	0.0	-70.95	395.69	1.92	-69.03
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181555	0	53	0.0	-72.34	409.95	2.95	-69.39
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181555	1	53	0.0	-71.93	419.85	3.06	-68.87
C[N@@H+]1CCC(=CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025181592	0	51	0.0	-77.54	416.43	3.03	-74.51
C[N@H+]1CCC(=CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025181592	1	51	0.0	-78.08	416.40	3.04	-75.04
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181602	0	53	0.0	-75.20	433.58	2.54	-72.66
C[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025181613	0	49	0.0	-73.31	395.67	1.94	-71.37
CC1C[NH+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025181630	1	50	0.0	-73.80	408.75	2.60	-71.20
C[N@H+](CCO)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181643	1	50	0.0	-73.87	405.79	-1.08	-74.95
C[N@@H+](CCO)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181643	1	50	0.0	-74.65	405.44	-1.08	-75.73
CC(CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025181655	0	55	0.0	-77.98	434.82	3.47	-74.51
CC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181657	0	49	0.0	-73.41	395.43	2.16	-71.25
CC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181657	1	49	0.0	-73.33	395.43	2.16	-71.17
CC[N@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025181667	0	53	0.0	-70.21	426.04	3.56	-66.65
CC[N@@H+](CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025181667	1	53	0.0	-72.18	418.79	3.42	-68.76
CC[NH+](CC)CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181673	0	55	0.0	-74.84	435.45	3.42	-71.42
C[NH+](C)CC=CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181688	0	50	0.0	-78.13	413.42	2.73	-75.40
COCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181697	1	53	0.0	-74.54	427.79	1.34	-73.20
COCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181697	1	53	0.0	-74.10	428.03	1.32	-72.78
CC(CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025181706	0	55	0.0	-73.90	434.76	3.27	-70.63
CC[N@@H+]1CCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181710	1	50	0.0	-73.25	409.29	2.47	-70.78
CC[N@H+]1CCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181710	1	50	0.0	-70.76	402.11	2.16	-68.60
C=CCC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025181735	0	53	0.0	-68.61	420.35	2.98	-65.63
O=C(C[NH+]1CC2CC2C1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181743	0	51	0.0	-73.66	413.25	3.42	-70.24
CCCC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025181749	0	55	0.0	-71.47	432.65	3.48	-67.99
C[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181751	0	52	0.0	-80.45	402.83	2.54	-77.91
C[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181761	0	53	0.0	-72.36	410.20	2.92	-69.44
C[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181761	1	53	0.0	-71.80	419.27	3.13	-68.67
C[NH+](C)C1(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025181798	0	50	0.0	-81.03	397.75	3.12	-77.91
O=C(CC[NH+]1CCCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181799	0	53	0.0	-75.49	426.24	3.20	-72.29
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1C[C@@H]3C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025181809	0	51	0.0	-78.82	410.24	2.71	-76.11
C[N@H+]1CC2CC1(C(=O)N[C@@H]1C[C@@H]3C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025181809	1	51	0.0	-77.49	407.31	2.88	-74.61
CC(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181845	0	52	0.0	-75.93	415.68	2.79	-73.14
CC(C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300025181868	1	53	0.0	-72.85	428.62	3.14	-69.71
CC1CC[N@@H+]1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181869	1	50	0.0	-72.98	409.14	2.63	-70.35
CC1CC[N@H+]1CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181869	1	50	0.0	-72.07	409.11	2.63	-69.44
C[NH+](C)CC(O)CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181871	0	53	0.0	-79.84	430.30	0.52	-79.32
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025181901	0	53	0.0	-77.01	427.11	3.23	-73.78
CC(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025181902	0	55	0.0	-75.30	437.34	3.42	-71.88
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182072	0	50	0.0	-72.58	396.14	1.97	-70.61
C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182072	1	50	0.0	-68.69	399.47	2.25	-66.44
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025182248	0	53	0.0	-74.93	424.02	3.08	-71.85
C[N@H+]1CCC(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025182248	1	53	0.0	-74.54	424.60	3.05	-71.49
CCC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+](C)C	REAL300025182251	0	52	0.0	-72.50	408.59	2.51	-69.99
C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182261	0	55	0.0	-76.06	442.65	3.66	-72.40
CC(C)C(C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+](C)C	REAL300025182266	0	55	0.0	-69.25	421.23	3.22	-66.03
CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182267	0	55	0.0	-74.65	439.15	3.44	-71.21
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182267	1	55	0.0	-74.80	439.15	3.45	-71.35
CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182268	0	52	0.0	-71.71	416.93	2.87	-68.84
CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182268	1	52	0.0	-71.56	416.94	2.88	-68.68
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)CC1	REAL300025182307	0	53	0.0	-77.77	421.69	2.94	-74.83
CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182313	0	52	0.0	-73.98	417.40	2.72	-71.26
CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182313	1	52	0.0	-74.14	417.36	2.71	-71.43
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)CC1	REAL300025182337	0	53	0.0	-71.56	420.50	3.00	-68.56
CC(C)[C@H](C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+](C)C	REAL300025182352	0	55	0.0	-73.37	420.84	2.98	-70.39
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)CCC1	REAL300025182376	0	53	0.0	-72.78	407.50	2.74	-70.04
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182401	0	53	0.0	-68.38	423.72	3.12	-65.26
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182401	1	53	0.0	-68.15	416.14	2.85	-65.30
CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+](C)C	REAL300025182412	0	55	0.0	-69.01	419.57	3.17	-65.84
CC1CC[N@H+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025182420	0	53	0.0	-70.93	422.66	3.24	-67.69
CC1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025182420	1	53	0.0	-70.78	423.08	3.14	-67.64
CC[C@@H](C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+](C)C	REAL300025182422	0	52	0.0	-69.25	407.48	2.51	-66.74
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182461	1	48	0.0	-69.18	405.71	3.06	-66.12
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182479	1	48	0.0	-70.09	407.48	3.79	-66.30
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)CC[N@@H+]1C	REAL300025182480	0	53	0.0	-72.72	413.20	2.68	-70.04
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)CC[N@H+]1C	REAL300025182480	1	53	0.0	-74.24	419.36	2.69	-71.55
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)C1CCC1	REAL300025182512	0	53	0.0	-69.50	423.44	3.47	-66.03
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)C1CCC1	REAL300025182512	1	53	0.0	-69.35	423.50	3.47	-65.88
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)CC1	REAL300025182519	0	53	0.0	-71.56	420.50	3.00	-68.56
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182532	0	50	0.0	-72.58	396.51	1.97	-70.61
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182532	1	50	0.0	-69.51	399.90	2.35	-67.16
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182575	0	53	0.0	-71.33	405.78	2.51	-68.82
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182575	1	53	0.0	-67.98	405.66	2.52	-65.46
CC1C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)CC[N@@H+]1C	REAL300025182604	0	53	0.0	-70.39	415.09	2.49	-67.90
CC1C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)CC[N@H+]1C	REAL300025182604	1	53	0.0	-73.27	414.77	2.52	-70.75
C[C@@H](C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+](C)C	REAL300025182645	0	49	0.0	-69.61	393.87	1.81	-67.80
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CC[NH+]1CCCC1)C2	REAL300025182663	0	53	0.0	-73.59	425.12	3.24	-70.35
C[N@H+](CCO)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182668	1	50	0.0	-71.67	405.89	-1.05	-72.72
C[N@@H+](CCO)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182668	1	50	0.0	-72.69	405.58	-1.11	-73.80
CC1C[NH+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025182714	1	50	0.0	-71.72	408.62	2.58	-69.14
CC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182748	0	49	0.0	-71.40	395.43	2.12	-69.28
CC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182748	1	49	0.0	-71.13	395.21	2.17	-68.96
COCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182801	1	53	0.0	-72.66	427.81	1.29	-71.37
COCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182801	1	53	0.0	-71.88	428.14	1.37	-70.51
CC(CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+](C)C	REAL300025182803	0	55	0.0	-78.02	430.68	3.25	-74.77
CC[N@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)C1CC1	REAL300025182808	0	53	0.0	-68.11	426.19	3.51	-64.60
CC[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)C1CC1	REAL300025182808	1	53	0.0	-68.72	423.31	3.49	-65.23
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]1C3)C2	REAL300025182821	0	51	0.0	-77.06	403.66	2.76	-74.30
C[N@H+]1CC2CC1(C(=O)N1C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]1C3)C2	REAL300025182821	1	51	0.0	-74.86	400.90	2.61	-72.25
CC(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182830	0	52	0.0	-69.95	412.44	2.57	-67.38
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)CC1	REAL300025182836	0	50	0.0	-73.04	398.62	1.99	-71.05
C[C@H](C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+](C)C	REAL300025182846	0	49	0.0	-71.82	393.90	1.79	-70.03
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182849	1	50	0.0	-71.67	409.37	2.45	-69.22
CC[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182849	1	50	0.0	-68.53	401.21	2.05	-66.48
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182864	0	46	0.0	-72.51	385.05	-0.53	-73.04
CCCC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+](C)C	REAL300025182868	0	55	0.0	-72.46	428.42	3.22	-69.24
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182871	0	52	0.0	-74.47	396.29	2.27	-72.20
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182880	0	55	0.0	-73.98	436.38	3.20	-70.78
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C[NH+]1CC3CC3C1)C2	REAL300025182940	0	51	0.0	-71.62	412.79	3.38	-68.24
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182950	0	53	0.0	-71.33	405.78	2.51	-68.82
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025182950	1	53	0.0	-67.98	405.66	2.52	-65.46
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025182978	0	51	0.0	-76.34	415.72	2.99	-73.35
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025182978	1	51	0.0	-77.00	415.44	3.02	-73.98
[N-]=[N+]=NCC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NC(=O)NN3)[C@H]1C2	REAL300025182985	0	40	0.0	-25.13	354.37	-2.93	-28.06
CCC1C[NH+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025183001	0	53	0.0	-72.54	430.33	3.23	-69.31
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183006	0	50	0.0	-68.64	398.95	2.32	-66.32
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183006	1	50	0.0	-68.73	396.11	1.98	-66.75
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025183049	0	53	0.0	-71.85	427.13	3.22	-68.63
C[NH+](C)CCOCC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183066	0	53	0.0	-73.72	433.77	2.55	-71.17
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C[NH+]1CCCCC1)C2	REAL300025183100	0	53	0.0	-71.22	419.02	3.37	-67.85
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025183101	0	53	0.0	-62.91	409.07	2.87	-60.04
C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025183101	1	53	0.0	-73.76	421.49	2.98	-70.78
CN1C=C[N+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)=C1	REAL300025183102	0	48	0.0	-68.76	408.86	4.97	-63.79
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)C1CC1	REAL300025183112	0	50	0.0	-68.65	407.07	2.93	-65.72
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)C1CC1	REAL300025183112	1	50	0.0	-68.93	406.88	2.90	-66.03
CC(CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)C[NH+](C)C	REAL300025183120	0	55	0.0	-74.46	434.82	3.49	-70.97
C[NH+]1CC(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025183170	0	50	0.0	-72.52	408.69	2.33	-70.19
C[NH+](C)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183177	0	46	0.0	-72.07	377.55	1.46	-70.61
C[N@H+](CCO)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183187	0	53	0.0	-74.28	428.01	-0.51	-74.79
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183187	1	53	0.0	-73.02	427.67	-0.51	-73.53
C[C@@H](C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+](C)C	REAL300025183188	0	49	0.0	-69.61	393.87	1.81	-67.80
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+]1CC(C)C1	REAL300025183202	0	53	0.0	-69.50	427.93	2.93	-66.57
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183203	1	50	0.0	-70.94	408.77	2.57	-68.37
CC1CC[N@H+]1CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183203	1	50	0.0	-70.07	408.80	2.57	-67.50
C[NH+](C)CC=CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183205	0	50	0.0	-76.90	412.55	2.69	-74.21
CC1(C)C[NH+](CC(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)C1	REAL300025183209	1	53	0.0	-72.05	427.88	3.04	-69.01
CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183225	0	52	0.0	-69.65	409.11	2.55	-67.10
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C[NH+]1CCC1)C2	REAL300025183230	1	47	0.0	-72.29	387.81	1.86	-70.43
CC[NH+](CC)CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183250	0	55	0.0	-73.64	430.90	3.15	-70.49
CC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+]1CCC1	REAL300025183279	1	50	0.0	-73.44	398.70	2.23	-71.21
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183283	0	55	0.0	-73.79	417.73	2.63	-71.16
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183304	0	53	0.0	-71.27	405.75	2.53	-68.74
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183304	1	53	0.0	-70.20	417.26	3.00	-67.20
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2	REAL300025183314	0	53	0.0	-78.35	430.39	0.48	-77.87
C=CCC(C(=O)N1C[C@@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]1C2)[NH+](C)C	REAL300025183326	0	53	0.0	-72.33	420.63	3.00	-69.33
NC(=[NH2+])SCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025183349	0	44	0.0	-76.59	386.23	-1.64	-78.23
CCC1C[NH+](CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025183409	1	53	0.0	-74.66	430.25	3.41	-71.25
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025183413	0	50	0.0	-70.31	403.37	2.54	-67.77
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025183413	1	50	0.0	-70.97	397.31	2.07	-68.90
O=C(C[NH+]1CCCCC1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025183420	0	53	0.0	-73.42	419.47	3.37	-70.05
CC1C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025183424	0	53	0.0	-71.83	418.46	2.76	-69.07
CC1C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025183424	1	53	0.0	-73.65	419.81	2.99	-70.66
C[N@@H+]1CCCC1C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183577	0	53	0.0	-71.72	401.94	4.14	-67.58
C[N@H+]1CCCC1C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183577	1	53	0.0	-70.56	407.57	4.82	-65.74
CCC(C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025183680	0	55	0.0	-69.29	417.60	3.41	-65.88
CCC[N@H+](C)CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183685	0	55	0.0	-74.67	421.32	4.77	-69.90
CCC[N@@H+](C)CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183685	1	55	0.0	-72.86	426.42	3.82	-69.04
C[N@@H+]1CCC[C@@H]1C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183693	0	53	0.0	-70.29	411.94	3.19	-67.10
C[N@H+]1CCC[C@@H]1C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183693	1	53	0.0	-69.38	413.45	3.49	-65.89
CC[NH+](CC)CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183698	0	55	0.0	-72.45	413.33	4.43	-68.02
CC[N@H+](C)CCC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183756	0	55	0.0	-73.51	427.29	3.63	-69.88
CC[N@@H+](C)CCC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183756	1	55	0.0	-73.47	427.29	3.63	-69.84
CC[C@@H](C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025183759	0	55	0.0	-53.39	403.73	4.84	-48.55
C[NH+](C)CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183777	0	49	0.0	-73.16	387.19	2.41	-70.75
CC(C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+]1CCC1	REAL300025183781	1	53	0.0	-52.05	402.23	4.97	-47.08
C[N@H+](CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025183788	0	53	0.0	-49.80	410.76	5.41	-44.39
C[N@@H+](CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025183788	1	53	0.0	-71.87	411.50	4.77	-67.10
C[NH+]1CC(CC(=O)NC2C3CCCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025183794	0	53	0.0	-73.63	423.39	3.47	-70.16
C[C@@H](C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025183801	0	52	0.0	-72.72	399.19	4.14	-68.58
[N-]=[N+]=NCC(=O)NC1C2CCCCN(C(=O)CSC3=NC(=O)NN3)C21	REAL300025183804	0	43	0.0	-22.72	358.18	-0.70	-23.42
C[C@@H](C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025183823	0	52	0.0	-72.72	399.19	4.14	-68.58
O=C(C[NH+]1CCC1)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183841	1	50	0.0	-75.45	390.82	4.25	-71.20
C[C@H](C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025183852	0	52	0.0	-73.43	398.91	4.25	-69.18
CC1C[NH+](CC(=O)NC2C3CCCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025183859	1	53	0.0	-76.19	411.16	4.65	-71.54
C[N@H+](CCO)CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183870	1	53	0.0	-73.48	415.28	-0.15	-73.63
C[N@@H+](CCO)CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183870	1	53	0.0	-74.73	410.17	0.79	-73.94
CC[N@H+](C)CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183877	0	52	0.0	-72.34	404.93	3.09	-69.25
CC[N@@H+](C)CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183877	1	52	0.0	-74.25	398.94	4.37	-69.88
C[NH+](C)CC=CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183895	0	53	0.0	-76.11	424.42	3.67	-72.44
CC[N@@H+]1CCC1C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183901	1	53	0.0	-71.29	418.60	3.35	-67.94
CC[N@H+]1CCC1C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183901	1	53	0.0	-70.99	418.76	3.41	-67.58
C[NH+](C)C(C)(C)C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183915	0	55	0.0	-76.21	408.46	4.48	-71.73
C[NH+](C)C1(C(=O)NC2C3CCCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)CC1	REAL300025183938	0	53	0.0	-79.88	416.10	3.58	-76.30
CC(C[NH+](C)C)C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183960	0	55	0.0	-72.92	425.60	3.69	-69.23
CC1CC[N@@H+]1CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183971	1	53	0.0	-71.78	408.10	4.22	-67.56
CC1CC[N@H+]1CC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025183971	1	53	0.0	-71.08	423.28	3.72	-67.36
C[N@@H+]1CCCC1C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184086	0	53	0.0	-69.99	413.70	3.30	-66.69
C[N@H+]1CCCC1C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184086	1	53	0.0	-55.35	407.19	3.28	-52.07
CCC(C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025184160	0	55	0.0	-69.67	412.38	4.71	-64.96
CCC[N@H+](C)CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184163	0	55	0.0	-69.60	421.41	5.50	-64.10
CCC[N@@H+](C)CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184163	1	55	0.0	-69.67	418.73	5.41	-64.26
CC[N@H+](C)CCC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184179	0	55	0.0	-72.88	421.31	4.88	-68.00
CC[N@@H+](C)CCC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184179	1	55	0.0	-73.31	427.29	3.61	-69.70
CC[C@@H](C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025184205	0	55	0.0	-70.02	414.04	3.25	-66.77
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184242	0	53	0.0	-69.10	401.92	3.78	-65.32
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184242	1	53	0.0	-65.86	407.32	5.00	-60.86
C[C@@H](C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025184287	0	52	0.0	-69.81	396.76	3.99	-65.82
C[N@H+](CCO)CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184297	1	53	0.0	-69.95	410.24	1.50	-68.45
C[N@@H+](CCO)CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184297	1	53	0.0	-70.22	410.04	1.52	-68.70
CC1C[NH+](CC(=O)N2CCCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025184313	1	53	0.0	-72.07	417.07	3.46	-68.61
CC[N@H+](C)CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184329	0	52	0.0	-69.10	399.91	4.76	-64.34
CC[N@@H+](C)CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184329	1	52	0.0	-69.22	399.89	4.73	-64.49
CC(C[NH+](C)C)C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184356	0	55	0.0	-73.02	417.56	4.75	-68.27
C[C@H](C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025184360	0	52	0.0	-66.58	392.44	4.34	-62.24
CC[N@@H+]1CCC1C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184363	1	53	0.0	-70.07	416.69	3.35	-66.72
CC[N@H+]1CCC1C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184363	1	53	0.0	-70.40	417.17	3.19	-67.21
[N-]=[N+]=NCC(=O)N1CCCCC2C(NC(=O)CSC3=NC(=O)NN3)C21	REAL300025184413	0	43	0.0	-23.11	358.19	-0.69	-23.80
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184422	0	53	0.0	-71.44	413.92	3.21	-68.23
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184422	1	53	0.0	-68.12	400.98	4.14	-63.98
C[N@H+](CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025184452	0	53	0.0	-68.42	416.46	3.75	-64.67
C[N@@H+](CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025184452	1	53	0.0	-68.51	411.37	4.67	-63.84
C[NH+]1CC(CC(=O)N2CCCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025184476	0	53	0.0	-71.59	412.66	4.49	-67.10
C[NH+](C)CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184479	0	49	0.0	-71.71	381.21	3.61	-68.10
C[C@@H](C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025184482	0	52	0.0	-69.81	396.76	3.99	-65.82
CC1CC[N@@H+]1CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184489	1	53	0.0	-68.98	412.77	3.13	-65.85
CC1CC[N@H+]1CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184489	1	53	0.0	-70.92	411.75	4.79	-66.13
C[NH+](C)CC=CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184490	0	53	0.0	-76.29	418.67	4.97	-71.32
CC[NH+](CC)CC(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184496	0	55	0.0	-69.14	412.46	4.70	-64.44
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCCN(C(=O)C[NH+]3CCC3)C21	REAL300025184497	1	50	0.0	-69.44	392.23	4.49	-64.95
CC(C(=O)N1CCCCC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+]1CCC1	REAL300025184515	1	53	0.0	-70.99	407.90	2.89	-68.10
NC(=[NH2+])SCC(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184546	0	47	0.0	-75.19	390.03	0.30	-74.89
C[N@@H+]1CCC[C@H]1C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184578	0	53	0.0	-71.56	406.51	4.85	-66.71
C[N@H+]1CCC[C@H]1C(=O)NC1C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025184578	1	53	0.0	-47.45	398.07	4.55	-42.90
CCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184606	0	52	0.0	-78.67	399.01	2.42	-76.25
CCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184606	1	52	0.0	-62.72	392.01	2.81	-59.91
CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184607	0	49	0.0	-76.63	371.60	1.88	-74.75
CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184607	1	49	0.0	-72.57	360.18	2.30	-70.27
C[N@@H+]1CCC(NC(=O)C2CC2)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184608	0	53	0.0	-76.24	401.89	3.34	-72.90
C[N@H+]1CCC(NC(=O)C2CC2)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184608	1	53	0.0	-74.87	395.17	3.82	-71.05
COCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184609	0	53	0.0	-80.26	405.36	2.08	-78.18
COCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184609	1	53	0.0	-69.10	404.19	2.09	-67.01
CCCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184610	0	55	0.0	-78.96	420.51	3.19	-75.77
CCCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184610	1	55	0.0	-65.46	412.98	3.48	-61.98
CC(C)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184611	0	55	0.0	-70.77	393.17	3.81	-66.96
CC(C)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184611	1	55	0.0	-79.13	418.74	3.02	-76.11
C[N@@H+]1CCC(NC(=O)C(N)=O)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184612	1	50	0.0	-67.65	393.81	-1.94	-69.59
C[N@H+]1CCC(NC(=O)C(N)=O)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184612	1	50	0.0	-76.49	389.30	-1.79	-78.28
C=CCC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184613	0	53	0.0	-63.37	404.90	3.36	-60.01
C=CCC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184613	1	53	0.0	-79.47	412.97	2.95	-76.52
C[N@@H+]1CCC(NC(=O)CO)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184614	0	50	0.0	-70.50	381.94	-0.19	-70.69
C[N@H+]1CCC(NC(=O)CO)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184614	1	50	0.0	-81.00	383.11	-0.20	-81.20
CC(O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184615	0	53	0.0	-85.00	408.36	0.75	-84.25
CC(O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184615	1	53	0.0	-78.23	396.95	0.07	-78.16
C[C@@H](O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184616	0	53	0.0	-74.49	394.90	0.01	-74.48
C[C@@H](O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184616	1	53	0.0	-81.05	402.27	0.57	-80.48
C[C@H](O)C(=O)NC1CC[N@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184617	0	53	0.0	-80.02	400.02	-0.27	-80.29
C[C@H](O)C(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184617	1	53	0.0	-67.95	402.29	0.54	-67.41
COCC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@@H+]2C	REAL300025184618	0	53	0.0	-75.32	389.72	2.59	-72.73
COCC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@H+]2C	REAL300025184618	1	53	0.0	-70.40	404.73	2.07	-68.33
CCCC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@@H+]2C	REAL300025184619	0	55	0.0	-73.59	395.94	3.94	-69.65
CCCC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@H+]2C	REAL300025184619	1	55	0.0	-67.61	413.51	3.52	-64.09
CC(C)C(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@@H+]2C	REAL300025184620	0	55	0.0	-85.25	415.15	2.75	-82.50
CC(C)C(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@H+]2C	REAL300025184620	1	55	0.0	-75.85	412.84	3.13	-72.72
CCC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@@H+]2C	REAL300025184621	0	52	0.0	-73.27	377.74	3.05	-70.22
CCC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@H+]2C	REAL300025184621	1	52	0.0	-67.59	392.02	2.76	-64.83
CC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@H+]2C	REAL300025184622	0	49	0.0	-87.29	376.34	2.25	-85.04
CC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@@H+]2C	REAL300025184622	1	49	0.0	-66.86	378.65	1.35	-65.51
C[N@@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCN(C(=O)C1CC1)C2	REAL300025184623	0	53	0.0	-76.22	402.77	3.41	-72.81
C[N@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCN(C(=O)C1CC1)C2	REAL300025184623	1	53	0.0	-65.12	407.29	3.13	-61.99
C[N@@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCN(C(=O)C(N)=O)C2	REAL300025184624	1	50	0.0	-66.17	384.40	-2.24	-68.41
C[N@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCN(C(=O)C(N)=O)C2	REAL300025184624	1	50	0.0	-75.30	392.23	-2.50	-77.80
C[N@@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCN(C(=O)CO)C2	REAL300025184625	0	50	0.0	-71.58	382.48	-0.21	-71.79
C[N@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCN(C(=O)CO)C2	REAL300025184625	1	50	0.0	-82.03	389.25	-0.48	-82.51
CC(O)C(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@@H+]2C	REAL300025184626	0	53	0.0	-89.21	389.32	0.87	-88.34
CC(O)C(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@H+]2C	REAL300025184626	1	53	0.0	-68.61	397.80	0.22	-68.39
CC(=O)C(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@H+]2C	REAL300025184627	0	51	0.0	-74.95	399.07	1.27	-73.68
CC(=O)C(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@@H+]2C	REAL300025184627	1	51	0.0	-64.28	400.48	1.32	-62.96
CC=CC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@@H+]2C	REAL300025184628	0	53	0.0	-72.37	411.13	2.91	-69.46
CC=CC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@H+]2C	REAL300025184628	1	53	0.0	-67.46	404.27	3.23	-64.23
C[C@H](O)C(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@@H+]2C	REAL300025184629	0	53	0.0	-79.41	397.86	0.19	-79.22
C[C@H](O)C(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@H+]2C	REAL300025184629	1	53	0.0	-68.13	407.88	-0.02	-68.15
C=CCC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@H+]2C	REAL300025184630	0	53	0.0	-68.27	404.92	3.30	-64.97
C=CCC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@@H+]2C	REAL300025184630	1	53	0.0	-74.47	381.76	4.19	-70.28
C[N@@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCN(C(=O)CC#N)C2	REAL300025184631	0	50	0.0	-80.08	391.48	2.44	-77.64
C[N@H+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCN(C(=O)CC#N)C2	REAL300025184631	1	50	0.0	-75.12	401.17	2.13	-72.99
C[C@@H](O)C(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@@H+]2C	REAL300025184632	0	53	0.0	-68.63	397.90	0.22	-68.41
C[C@@H](O)C(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@H+]2C	REAL300025184632	1	53	0.0	-95.05	405.19	0.46	-94.59
C=CC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@H+]2C	REAL300025184633	0	50	0.0	-67.74	382.54	2.36	-65.38
C=CC(=O)N1CCCC2(C1)C(NC(=O)CSC1=NNC(=O)[N-]1)CC[N@@H+]2C	REAL300025184633	1	50	0.0	-77.77	389.42	2.11	-75.66
CC=CC(=O)NC1CC[N@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184634	0	53	0.0	-70.85	385.26	2.95	-67.90
CC=CC(=O)NC1CC[N@@H+](C)C12CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025184634	1	53	0.0	-62.34	405.62	3.39	-58.95
C[NH+](C)CC(=O)NCC1CC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CO1	REAL300025184659	0	53	0.0	-74.07	429.22	0.61	-73.46
[N-]=[N+]=NCC(=O)NCC1CC2(CCN(C(=O)CSC3=NC(=O)NN3)C2)CO1	REAL300025184664	0	47	0.0	-24.19	404.75	-3.81	-28.00
[N-]=[N+]=NCC(=O)N1CCC2(COC(CNC(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025184723	0	47	0.0	-27.50	406.69	-3.78	-31.28
C[NH+](C)CC(=O)N1CCC2(COC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025184730	0	53	0.0	-75.68	429.73	0.64	-75.04
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025184871	0	53	0.0	-70.26	404.85	3.60	-66.66
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025184871	1	53	0.0	-72.33	401.09	3.29	-69.04
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2)[NH+](C)C	REAL300025184974	0	55	0.0	-70.88	412.00	3.79	-67.09
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025184979	0	55	0.0	-74.50	421.61	4.17	-70.33
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025184979	1	55	0.0	-74.45	421.62	4.17	-70.28
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025184987	0	53	0.0	-71.95	400.46	3.38	-68.57
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025184987	1	53	0.0	-69.87	404.39	3.60	-66.27
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025184992	0	55	0.0	-72.40	413.85	3.85	-68.55
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185050	0	55	0.0	-74.88	422.56	4.05	-70.83
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185050	1	55	0.0	-74.91	422.03	4.09	-70.82
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2)[NH+](C)C	REAL300025185053	0	55	0.0	-69.53	405.98	3.63	-65.90
C[NH+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185071	0	49	0.0	-74.68	382.47	2.76	-71.92
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2)[NH+]1CCC1	REAL300025185075	1	53	0.0	-70.45	407.39	3.60	-66.85
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2)C1CC1	REAL300025185082	0	53	0.0	-71.11	411.21	4.23	-66.88
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2)C1CC1	REAL300025185082	1	53	0.0	-71.09	411.21	4.23	-66.86
C[NH+]1CC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC23CCC3)C1	REAL300025185088	0	53	0.0	-73.79	413.53	3.70	-70.09
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2)[NH+](C)C	REAL300025185095	0	52	0.0	-71.70	398.08	3.17	-68.53
[N-]=[N+]=NCC(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)CC12CCC2	REAL300025185098	0	43	0.0	-22.75	358.90	-1.57	-24.32
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2)[NH+](C)C	REAL300025185117	0	52	0.0	-71.70	398.08	3.17	-68.53
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC2)C2(CCC2)C1	REAL300025185135	1	50	0.0	-74.25	392.68	3.25	-71.00
C[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2)[NH+](C)C	REAL300025185146	0	52	0.0	-71.71	398.05	3.17	-68.54
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC23CCC3)C1	REAL300025185153	1	53	0.0	-74.19	413.62	3.87	-70.32
C[N@H+](CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185164	1	53	0.0	-74.73	410.46	0.19	-74.54
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185164	1	53	0.0	-73.98	410.44	0.21	-73.77
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185171	0	52	0.0	-74.12	400.11	3.43	-70.69
CC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185171	1	52	0.0	-74.04	400.12	3.44	-70.60
C[NH+](C)CC=CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185189	0	53	0.0	-75.69	417.07	3.99	-71.70
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185195	1	53	0.0	-71.09	406.64	3.46	-67.63
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185195	1	53	0.0	-72.48	412.51	3.74	-68.74
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185209	0	55	0.0	-70.53	402.46	3.23	-67.30
C[NH+](C)C1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC23CCC3)CC1	REAL300025185232	0	53	0.0	-71.79	405.69	3.50	-68.29
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185254	0	55	0.0	-70.42	417.98	3.90	-66.52
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185265	1	53	0.0	-71.69	407.80	3.64	-68.05
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185265	1	53	0.0	-72.86	413.71	3.85	-69.01
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185380	0	53	0.0	-70.84	406.53	3.68	-67.16
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185380	1	53	0.0	-68.63	403.53	3.56	-65.07
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1)[NH+](C)C	REAL300025185454	0	55	0.0	-69.71	411.15	3.82	-65.89
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185458	0	55	0.0	-72.79	421.56	4.14	-68.65
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185458	1	55	0.0	-72.80	421.31	4.23	-68.57
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185475	0	55	0.0	-73.76	422.42	3.99	-69.77
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185475	1	55	0.0	-73.72	422.41	4.00	-69.72
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1)[NH+](C)C	REAL300025185516	0	55	0.0	-70.08	410.69	3.80	-66.28
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185562	0	53	0.0	-71.35	400.89	3.34	-68.01
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185562	1	53	0.0	-68.90	404.70	3.68	-65.22
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1)[NH+](C)C	REAL300025185617	0	52	0.0	-69.92	395.18	3.01	-66.91
C[N@H+](CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185627	1	53	0.0	-73.12	410.16	0.26	-72.86
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185627	1	53	0.0	-72.57	409.86	0.25	-72.32
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C3(CCC3)C2)C1	REAL300025185643	1	53	0.0	-72.55	413.31	3.92	-68.63
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185661	0	52	0.0	-72.35	400.20	3.44	-68.91
CC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185661	1	52	0.0	-72.40	399.81	3.49	-68.91
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185694	0	55	0.0	-68.76	416.70	3.92	-64.84
C[NH+](C)C1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C3(CCC3)C2)CC1	REAL300025185697	0	53	0.0	-71.46	403.68	3.14	-68.32
C[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1)[NH+](C)C	REAL300025185701	0	52	0.0	-70.44	398.42	3.09	-67.35
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185704	1	53	0.0	-69.76	405.71	3.55	-66.21
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185704	1	53	0.0	-71.16	412.99	3.72	-67.44
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185713	0	55	0.0	-70.77	403.45	3.30	-67.47
[N-]=[N+]=NCC(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)C2(CCC2)C1	REAL300025185762	0	43	0.0	-23.32	359.43	-1.64	-24.96
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185775	0	53	0.0	-68.11	403.61	3.59	-64.52
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185775	1	53	0.0	-70.15	400.71	3.37	-66.78
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1)C1CC1	REAL300025185812	0	53	0.0	-69.46	411.73	4.17	-65.29
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1)C1CC1	REAL300025185812	1	53	0.0	-70.22	411.86	4.17	-66.05
C[NH+]1CC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C3(CCC3)C2)C1	REAL300025185840	0	53	0.0	-72.84	413.67	3.61	-69.23
C[NH+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185843	0	49	0.0	-73.23	382.46	2.76	-70.47
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1)[NH+](C)C	REAL300025185846	0	52	0.0	-69.92	395.18	3.01	-66.91
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185855	1	53	0.0	-71.40	413.37	3.92	-67.48
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185855	1	53	0.0	-71.11	413.64	3.85	-67.26
C[NH+](C)CC=CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185856	0	53	0.0	-77.75	418.16	4.09	-73.66
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025185862	0	55	0.0	-70.68	413.36	3.89	-66.79
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC2)CC12CCC2	REAL300025185863	1	50	0.0	-72.71	392.37	3.30	-69.41
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1)[NH+]1CCC1	REAL300025185886	1	53	0.0	-70.60	399.93	3.26	-67.34
NC(=[NH2+])SCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185926	0	47	0.0	-74.18	390.46	-0.20	-74.38
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185958	0	53	0.0	-69.44	404.66	3.54	-65.90
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025185958	1	53	0.0	-71.15	399.19	3.31	-67.84
C[NH+](C)CC(=O)N1CCOC2(CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025186010	0	53	0.0	-76.62	411.67	2.40	-74.22
[N-]=[N+]=NCC(=O)N1CCOC2(CCCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025186015	0	47	0.0	-23.58	388.63	-1.99	-25.57
[N-]=[N+]=NCC(=O)N1CCCC2(C1)CN(C(=O)CSC1=NC(=O)NN1)CCO2	REAL300025186074	0	47	0.0	-24.33	388.62	-2.00	-26.33
C[NH+](C)CC(=O)N1CCCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025186081	0	53	0.0	-71.09	410.31	2.30	-68.79
C[NH+](C)CC(=O)NC1(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025186189	0	52	0.0	-74.33	402.58	2.72	-71.61
C[C@@H](C(=O)NC1(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025186194	0	55	0.0	-71.69	420.69	3.13	-68.56
[N-]=[N+]=NCC(=O)NC1(C2CCCN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025186197	0	46	0.0	-24.01	384.39	-1.53	-25.54
C[C@@H](C(=O)NC1(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025186207	0	55	0.0	-71.69	420.69	3.13	-68.56
O=C(C[NH+]1CCC1)NC1(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025186215	1	53	0.0	-74.66	417.73	3.37	-71.29
C[C@H](C(=O)NC1(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025186220	0	55	0.0	-72.64	420.75	3.14	-69.50
CC[N@H+](C)CC(=O)NC1(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025186232	0	55	0.0	-73.63	420.31	3.40	-70.23
CC[N@@H+](C)CC(=O)NC1(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025186232	1	55	0.0	-74.24	425.17	3.56	-70.68
C[C@@H](C(=O)N1CCCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025186378	0	55	0.0	-72.32	422.91	3.17	-69.15
CC[N@H+](C)CC(=O)N1CCCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025186397	0	55	0.0	-73.94	424.58	3.47	-70.47
CC[N@@H+](C)CC(=O)N1CCCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025186397	1	55	0.0	-73.70	420.65	3.30	-70.40
C[C@H](C(=O)N1CCCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025186410	0	55	0.0	-71.91	423.10	3.13	-68.78
[N-]=[N+]=NCC(=O)N1CCCC(C2(NC(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025186435	0	46	0.0	-24.15	379.56	-1.78	-25.93
C[NH+](C)CC(=O)N1CCCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025186466	0	52	0.0	-74.65	406.86	2.78	-71.87
C[C@@H](C(=O)N1CCCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025186469	0	55	0.0	-72.32	422.91	3.17	-69.15
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCCN(C(=O)C[NH+]3CCC3)C2)CC1	REAL300025186476	1	53	0.0	-74.20	413.24	3.09	-71.11
C[NH+](C)CC(=O)NC(C)(C)CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025186541	0	56	0.0	-66.85	426.78	1.72	-65.13
CC(C)(CN1CCN(C(=O)CSC2=NC(=O)NN2)CC1)NC(=O)CN=[N+]=[N-]	REAL300025186545	0	50	0.0	-22.62	407.14	-2.45	-25.07
CC(C)(CN1CCN(C(=O)CN=[N+]=[N-])CC1)NC(=O)CSC1=NC(=O)NN1	REAL300025186591	0	50	0.0	-23.44	406.91	-2.47	-25.91
C[NH+](C)CC(=O)N1CCN(CC(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025186597	0	56	0.0	-67.52	429.97	1.91	-65.61
C[NH+](C)CC(=O)NCC1CC2(CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025186703	0	52	0.0	-73.30	418.73	2.63	-70.67
C[C@@H](C(=O)NCC1CC2(CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025186708	0	55	0.0	-62.71	432.00	3.63	-59.08
[N-]=[N+]=NCC(=O)NCC1CC2(CCC2)CN1C(=O)CSC1=NC(=O)NN1	REAL300025186711	0	46	0.0	-25.01	395.69	-1.77	-26.78
C[C@@H](C(=O)NCC1CC2(CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025186721	0	55	0.0	-62.71	432.00	3.63	-59.08
O=C(C[NH+]1CCC1)NCC1CC2(CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025186729	1	53	0.0	-62.31	424.80	3.69	-58.62
C[C@H](C(=O)NCC1CC2(CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025186734	0	55	0.0	-70.49	437.05	3.09	-67.40
CC[N@H+](C)CC(=O)NCC1CC2(CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025186746	0	55	0.0	-72.78	436.96	3.28	-69.50
CC[N@@H+](C)CC(=O)NCC1CC2(CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025186746	1	55	0.0	-72.45	436.65	3.32	-69.13
C[C@@H](C(=O)N1CC2(CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025186892	0	55	0.0	-63.06	431.30	3.51	-59.55
CC[N@H+](C)CC(=O)N1CC2(CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025186911	0	55	0.0	-71.94	436.66	3.24	-68.70
CC[N@@H+](C)CC(=O)N1CC2(CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025186911	1	55	0.0	-71.39	436.98	3.23	-68.16
C[C@H](C(=O)N1CC2(CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025186924	0	55	0.0	-65.39	430.95	3.96	-61.43
[N-]=[N+]=NCC(=O)N1CC2(CCC2)CC1CNC(=O)CSC1=NC(=O)NN1	REAL300025186949	0	46	0.0	-24.28	395.90	-1.82	-26.10
C[NH+](C)CC(=O)N1CC2(CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025186980	0	52	0.0	-72.61	418.93	2.58	-70.03
C[C@@H](C(=O)N1CC2(CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025186983	0	55	0.0	-63.06	431.30	3.51	-59.55
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2(CCC2)CN1C(=O)C[NH+]1CCC1	REAL300025186990	1	53	0.0	-72.69	429.03	3.05	-69.64
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187188	0	47	0.0	-73.52	379.44	1.03	-72.49
C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187188	1	47	0.0	-71.31	383.87	1.30	-70.01
C[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025187212	1	48	0.0	-80.11	387.38	0.65	-79.46
C[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025187212	1	48	0.0	-78.30	387.35	0.67	-77.63
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187360	0	53	0.0	-73.03	410.95	2.78	-70.25
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187360	1	53	0.0	-73.29	410.97	2.79	-70.50
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187385	1	45	0.0	-71.57	390.34	2.15	-69.42
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300025187406	0	51	0.0	-84.49	398.58	2.10	-82.39
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025187436	0	50	0.0	-81.53	395.81	1.49	-80.04
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025187436	1	50	0.0	-78.01	401.43	2.12	-75.89
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025187438	0	53	0.0	-78.85	414.87	2.06	-76.79
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025187438	1	53	0.0	-76.08	419.08	2.55	-73.53
CC[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025187443	1	51	0.0	-88.36	412.55	1.50	-86.86
CC[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025187443	1	51	0.0	-77.81	405.17	1.31	-76.50
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187493	0	53	0.0	-71.15	417.92	2.44	-68.71
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2	REAL300025187496	0	53	0.0	-77.52	430.58	3.10	-74.42
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2	REAL300025187499	0	53	0.0	-77.35	424.92	2.98	-74.37
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187502	0	53	0.0	-71.25	407.96	2.29	-68.96
CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187502	1	53	0.0	-70.49	419.27	2.74	-67.75
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025187512	0	50	0.0	-80.94	391.42	1.69	-79.25
CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025187518	0	52	0.0	-74.17	403.44	2.32	-71.85
C[N@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025187539	0	50	0.0	-72.39	406.90	2.52	-69.87
C[N@@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025187539	1	50	0.0	-73.13	407.21	2.50	-70.63
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187597	1	49	0.0	-72.41	406.27	2.28	-70.13
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187597	1	49	0.0	-72.32	409.33	2.65	-69.67
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187602	0	53	0.0	-75.49	422.83	2.57	-72.92
C[N@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187602	1	53	0.0	-76.00	422.96	2.59	-73.41
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025187618	0	50	0.0	-81.84	405.78	2.10	-79.74
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187649	0	50	0.0	-72.45	390.48	1.65	-70.80
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187649	1	50	0.0	-71.18	401.43	2.11	-69.07
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300025187702	0	45	0.0	-80.92	395.82	3.92	-77.00
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2	REAL300025187708	1	51	0.0	-81.10	416.03	0.58	-80.52
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187721	1	45	0.0	-74.95	389.74	2.83	-72.12
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300025187737	0	51	0.0	-70.39	399.40	1.95	-68.44
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025187744	0	50	0.0	-79.00	407.64	2.14	-76.86
C[N@H+]1CCC(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025187744	1	50	0.0	-79.25	406.76	2.15	-77.10
CCC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025187751	0	49	0.0	-73.41	388.62	1.61	-71.80
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300025187775	1	45	0.0	-82.37	395.90	3.94	-78.43
C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187800	0	52	0.0	-79.96	426.13	2.71	-77.25
CC(C)C(C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025187812	0	52	0.0	-71.14	398.62	2.24	-68.90
CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187813	0	52	0.0	-79.06	422.35	2.53	-76.53
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187813	1	52	0.0	-79.05	422.35	2.53	-76.52
CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187816	0	49	0.0	-75.16	400.25	1.93	-73.23
CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187816	1	49	0.0	-75.21	400.33	1.94	-73.27
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300025187829	0	51	0.0	-58.90	393.55	1.40	-57.50
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300025187829	1	51	0.0	-61.47	394.44	1.42	-60.05
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187853	0	47	0.0	-73.72	379.13	1.04	-72.68
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187853	1	47	0.0	-71.86	382.95	1.32	-70.54
CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025187882	0	49	0.0	-73.16	396.53	1.88	-71.28
CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025187936	0	53	0.0	-75.85	423.66	3.01	-72.84
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025187956	0	50	0.0	-78.90	408.50	2.09	-76.81
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025188004	0	50	0.0	-81.84	405.78	2.10	-79.74
CC(C)[C@H](C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025188019	0	52	0.0	-73.75	404.13	2.12	-71.63
CCC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025188047	0	55	0.0	-73.38	422.64	3.02	-70.36
CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188078	0	49	0.0	-78.31	400.86	1.78	-76.53
CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188078	1	49	0.0	-78.33	400.85	1.79	-76.54
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188102	0	50	0.0	-71.47	407.18	2.17	-69.30
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188102	1	50	0.0	-71.16	399.62	1.90	-69.26
CC1CC[N@H+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188103	0	50	0.0	-74.00	407.47	2.21	-71.79
CC1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188103	1	50	0.0	-74.13	406.30	2.23	-71.90
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188106	0	53	0.0	-74.25	425.57	2.78	-71.47
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188106	1	53	0.0	-74.11	425.84	2.79	-71.32
C[N@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025188107	0	55	0.0	-75.04	430.64	3.02	-72.02
C[N@@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025188107	1	55	0.0	-75.19	431.17	3.09	-72.10
CC[C@@H](C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025188114	0	49	0.0	-74.20	391.70	1.60	-72.60
C[NH+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188199	0	43	0.0	-75.62	360.76	0.54	-75.08
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C[NH+]1CCCCCC1)C2	REAL300025188202	0	53	0.0	-74.54	412.08	2.59	-71.95
CN1C=C[N+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025188205	0	45	0.0	-72.49	392.18	4.06	-68.43
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188209	0	50	0.0	-77.20	401.73	1.88	-75.32
C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188209	1	50	0.0	-60.51	405.65	2.08	-58.43
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300025188214	0	51	0.0	-74.91	411.65	2.51	-72.40
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300025188214	1	51	0.0	-73.52	409.32	2.35	-71.17
CC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025188226	1	47	0.0	-73.67	389.18	1.45	-72.22
CCC(CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025188230	0	55	0.0	-79.45	431.82	3.07	-76.38
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188235	0	52	0.0	-76.94	403.14	1.73	-75.21
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C[NH+]1CCC(O)CC1)C2	REAL300025188246	1	51	0.0	-80.44	413.91	-0.95	-81.39
C[N@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025188247	0	47	0.0	-71.79	390.25	1.95	-69.84
C[N@@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025188247	1	47	0.0	-71.85	390.30	1.93	-69.92
C[NH+]1CC(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188261	0	47	0.0	-77.57	392.22	1.38	-76.19
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188271	0	53	0.0	-73.50	400.30	1.60	-71.90
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188271	1	53	0.0	-71.56	403.00	1.50	-70.06
C[C@@H](C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025188282	0	46	0.0	-73.53	377.86	0.86	-72.67
[N-]=[N+]=NCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025188289	0	37	0.0	-26.54	337.98	-3.88	-30.42
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188334	0	43	0.0	-71.27	388.00	0.74	-70.53
C[N@H+](CCO)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188339	0	50	0.0	-77.79	411.20	-1.42	-79.21
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188339	1	50	0.0	-77.41	411.20	-1.46	-78.87
C[C@@H](C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025188340	0	46	0.0	-73.53	377.86	0.86	-72.67
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188343	0	50	0.0	-72.30	390.07	1.63	-70.67
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188343	1	50	0.0	-70.91	401.15	2.10	-68.81
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C[NH+]1CCC1)C2	REAL300025188388	1	44	0.0	-75.87	371.33	1.01	-74.86
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188404	0	48	0.0	-80.27	397.33	2.09	-78.18
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188404	1	48	0.0	-80.20	397.34	2.11	-78.09
C[NH+](C)CCOCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188424	0	50	0.0	-75.80	416.87	1.66	-74.14
C=CCC(C)(C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025188436	0	53	0.0	-66.96	405.96	2.02	-64.94
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188454	0	51	0.0	-70.40	404.48	-1.87	-72.27
CC1CN(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188471	0	47	0.0	-75.61	392.24	1.66	-73.95
CC1C[NH+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188471	1	47	0.0	-75.61	392.24	1.66	-73.95
CN(CCO)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188489	0	47	0.0	-76.27	389.18	-2.04	-78.31
C[N@H+](CCO)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188489	1	47	0.0	-75.95	388.92	-2.02	-77.97
C[N@@H+](CCO)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188489	1	47	0.0	-75.95	388.92	-2.02	-77.97
CC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188508	0	53	0.0	-67.87	413.49	2.74	-65.13
CC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188508	1	53	0.0	-67.87	413.49	2.74	-65.13
CC(CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025188510	0	52	0.0	-83.29	418.14	2.55	-80.74
CC[N@H+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188514	0	46	0.0	-74.79	378.40	1.19	-73.60
CC[N@H+](CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025188541	0	50	0.0	-71.51	410.70	2.61	-68.90
CC[NH+](CC)CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188550	0	52	0.0	-77.70	414.36	2.21	-75.49
CC1(C)CN(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188566	0	50	0.0	-76.06	411.62	2.16	-73.90
CC1(C)C[NH+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188566	1	50	0.0	-76.06	411.62	2.16	-73.90
CC1(O)CC[N@H+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025188583	0	51	0.0	-73.31	416.77	-1.07	-74.38
C[NH+](C)CC=CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188586	0	47	0.0	-81.86	395.70	1.72	-80.14
CC(OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188594	0	53	0.0	-72.91	432.82	2.11	-70.80
C[NH+](C)CCOCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188600	0	53	0.0	-77.54	437.55	1.35	-76.19
COCCN(C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188601	0	50	0.0	-75.56	411.17	0.38	-75.18
COCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188601	1	50	0.0	-76.63	411.43	0.36	-76.27
COCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188601	1	50	0.0	-76.63	411.43	0.36	-76.27
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025188620	0	53	0.0	-79.80	401.51	2.09	-77.71
CC(CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025188622	0	52	0.0	-82.34	414.24	2.30	-80.04
CCN1CCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188628	0	47	0.0	-73.62	381.83	1.07	-72.55
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188628	1	47	0.0	-75.15	392.28	1.54	-73.61
CC[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188628	1	47	0.0	-75.15	392.28	1.54	-73.61
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C[N@H+]1CCCC1CO)C2	REAL300025188639	0	51	0.0	-74.98	414.27	-0.91	-75.89
C[NH+]1CCC(C)(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025188659	0	53	0.0	-62.66	409.96	2.05	-60.61
C=CCC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025188676	0	50	0.0	-74.25	407.23	2.15	-72.10
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188683	0	53	0.0	-73.59	419.69	2.10	-71.49
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188683	1	53	0.0	-73.59	419.69	2.10	-71.49
C[NH+](C)CCCCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188685	0	55	0.0	-78.92	447.63	3.49	-75.43
CCCC(C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025188703	0	52	0.0	-74.81	413.19	2.38	-72.43
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188706	0	49	0.0	-79.54	381.84	1.50	-78.04
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188730	0	50	0.0	-71.18	401.43	2.11	-69.07
C[N@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025188751	0	51	0.0	-71.39	420.07	2.88	-68.51
C[N@@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025188751	1	51	0.0	-71.39	420.07	2.88	-68.51
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C=CC[NH+]1CCCC1)C2	REAL300025188783	0	51	0.0	-80.49	420.63	2.84	-77.65
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)CC[NH+]1CCCC1)C2	REAL300025188812	0	50	0.0	-77.71	408.62	2.29	-75.42
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025188838	0	48	0.0	-80.01	388.06	1.72	-78.29
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C[N@@H+]1CC3CCC1C3)C2	REAL300025188843	0	51	0.0	-72.14	405.45	2.42	-69.72
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C[N@H+]1CC3CCC1C3)C2	REAL300025188843	1	51	0.0	-72.14	405.45	2.42	-69.72
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)CN1CC3C=CC1C3)C2	REAL300025188881	0	49	0.0	-70.89	400.05	2.38	-68.51
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C[N@@H+]1CC3C=CC1C3)C2	REAL300025188881	1	49	0.0	-73.71	400.31	2.53	-71.18
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C[N@H+]1CC3C=CC1C3)C2	REAL300025188881	1	49	0.0	-73.71	400.31	2.53	-71.18
CC(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188912	0	49	0.0	-77.92	395.49	1.53	-76.39
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188953	0	53	0.0	-66.73	412.84	2.62	-64.11
C[N@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188953	1	53	0.0	-66.73	412.84	2.62	-64.11
CC1CCN1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188964	0	47	0.0	-74.25	392.05	1.62	-72.63
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188964	1	47	0.0	-73.06	387.05	1.35	-71.71
CC1CC[N@H+]1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188964	1	47	0.0	-73.06	387.05	1.35	-71.71
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025188966	0	50	0.0	-82.64	413.62	-0.40	-83.04
CC1CN(C)CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025188985	0	51	0.0	-67.69	409.35	1.17	-66.52
CC1C[N@H+](C)CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025188985	1	51	0.0	-65.56	415.56	1.57	-63.99
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025188985	1	51	0.0	-65.56	415.56	1.57	-63.99
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025189024	0	50	0.0	-78.02	410.54	2.29	-75.73
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025189028	0	52	0.0	-77.91	417.13	2.13	-75.78
CN1CCN(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025189044	0	52	0.0	-76.20	420.01	0.05	-76.15
C[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025189044	1	52	0.0	-76.20	420.01	0.05	-76.15
C[N@@H+]1CCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189214	0	47	0.0	-71.39	380.90	1.12	-70.27
C[N@H+]1CCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189214	1	47	0.0	-66.07	381.10	1.13	-64.94
O=C(CC[NH+]1CCOCC1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189389	1	51	0.0	-73.92	416.30	0.59	-73.33
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C23CCC[NH+]2CCC3)C1	REAL300025189398	0	51	0.0	-74.00	405.59	2.58	-71.42
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300025189401	1	45	0.0	-76.91	391.82	4.15	-72.76
C[N@@H+]1CCC(CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025189424	0	50	0.0	-72.15	407.84	2.21	-69.94
C[N@H+]1CCC(CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025189424	1	50	0.0	-71.96	407.44	2.20	-69.76
CCC(C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025189431	0	49	0.0	-65.22	391.09	1.61	-63.61
C[NH+](C)CCCCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189464	0	52	0.0	-73.59	426.39	2.72	-70.87
CC(C)C(C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025189478	0	52	0.0	-66.43	408.50	2.81	-63.62
CCC[N@H+](C)CCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189479	0	52	0.0	-72.15	422.62	2.56	-69.59
CCC[N@@H+](C)CCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189479	1	52	0.0	-72.33	422.25	2.55	-69.78
CCC[N@H+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189482	0	49	0.0	-69.76	400.26	2.01	-67.75
CCC[N@@H+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189482	1	49	0.0	-69.62	400.25	2.01	-67.61
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025189495	0	51	0.0	-73.41	403.59	1.84	-71.57
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025189495	1	51	0.0	-70.95	402.25	1.80	-69.15
CC1CC[NH+](CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025189523	0	53	0.0	-69.97	423.25	3.08	-66.89
C[NH+](C)CC1(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025189561	0	50	0.0	-73.20	412.70	2.36	-70.84
CC[N@H+](C)CCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189579	0	49	0.0	-71.50	401.12	1.81	-69.69
CC[N@@H+](C)CCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189579	1	49	0.0	-71.56	401.12	1.80	-69.76
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300025189591	0	51	0.0	-71.30	402.08	2.35	-68.95
C[NH+]1CCC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025189632	0	50	0.0	-76.18	405.68	2.23	-73.95
CC(C)[C@H](C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025189647	0	52	0.0	-71.46	410.47	2.62	-68.84
C[NH+](C)C1(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CCC1	REAL300025189711	0	50	0.0	-77.21	392.99	2.19	-75.02
CCC(C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](CC)CC	REAL300025189739	0	55	0.0	-63.91	425.87	2.99	-60.92
CC1CCC[N@@H+]1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189748	0	50	0.0	-66.66	406.97	2.26	-64.40
CC1CCC[N@H+]1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189748	1	50	0.0	-66.79	406.17	2.26	-64.53
CC(C)[N@@H+]1CCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189784	0	53	0.0	-65.33	420.10	2.65	-62.68
CC(C)[N@H+]1CCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189784	1	53	0.0	-65.41	409.88	2.68	-62.73
CC(C)[C@@H](C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025189791	0	52	0.0	-65.29	404.96	2.13	-63.16
CC1CC[N@H+](CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025189804	0	50	0.0	-68.77	407.00	2.32	-66.45
CC1CC[N@@H+](CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025189804	1	50	0.0	-69.05	406.49	2.32	-66.73
CC1(C)CC[N@H+](CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025189807	0	53	0.0	-68.56	425.95	2.82	-65.74
CC1(C)CC[N@@H+](CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025189807	1	53	0.0	-68.73	425.57	2.84	-65.89
C[N@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)CC(C)(C)C	REAL300025189808	0	55	0.0	-69.86	428.87	3.00	-66.86
C[N@@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)CC(C)(C)C	REAL300025189808	1	55	0.0	-68.89	431.16	3.15	-65.74
CC[C@@H](C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025189815	0	49	0.0	-65.37	390.99	1.61	-63.76
CC1=[NH+]C=CN1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189904	1	45	0.0	-67.32	390.34	2.21	-65.11
CC[N@@H+]1CCOC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025189952	1	51	0.0	-81.95	416.14	1.62	-80.33
CC[N@H+]1CCOC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025189952	1	51	0.0	-76.99	416.16	1.63	-75.36
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300025189975	0	45	0.0	-72.11	391.25	4.10	-68.01
CC1=C[NH+]=CN1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189978	1	45	0.0	-67.66	389.63	2.89	-64.77
C[C@@H]1[C@H](C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025189983	0	50	0.0	-69.40	398.52	1.77	-67.63
C[C@@H]1[C@H](C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025189983	1	50	0.0	-68.70	403.34	2.00	-66.70
CC[C@@H]1[C@@H](C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025189985	0	53	0.0	-70.05	417.34	2.29	-67.76
CC[C@@H]1[C@@H](C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025189985	1	53	0.0	-69.56	423.63	2.56	-67.00
CC1CCC(C)[NH+]1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189991	0	53	0.0	-66.41	420.36	2.66	-63.75
O=C(CCC[NH+]1CCCC1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189994	0	53	0.0	-71.03	429.83	3.06	-67.97
O=C(CC[NH+]1CCCCC1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189998	0	53	0.0	-70.77	425.31	3.04	-67.73
CC[N@@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190001	0	53	0.0	-67.89	411.47	2.64	-65.25
CC[N@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190001	1	53	0.0	-67.41	420.69	2.82	-64.59
C[N@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025190085	0	50	0.0	-67.90	407.13	2.56	-65.34
C[N@@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025190085	1	50	0.0	-67.36	407.03	2.56	-64.80
C[NH+]1CCC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025190110	0	50	0.0	-76.18	405.68	2.23	-73.95
C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190135	0	47	0.0	-71.56	381.11	1.11	-70.45
C[N@H+]1CCC[C@@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190135	1	47	0.0	-67.36	386.92	1.63	-65.73
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190152	1	49	0.0	-65.56	407.58	2.36	-63.20
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190152	1	49	0.0	-66.54	413.10	2.89	-63.65
C[N@@H+]1CCCC1CCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190157	0	53	0.0	-70.69	422.79	2.61	-68.08
C[N@H+]1CCCC1CCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190157	1	53	0.0	-74.58	424.88	2.91	-71.67
C[N@@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190222	0	50	0.0	-64.35	402.99	2.19	-62.16
C[N@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190222	1	50	0.0	-66.37	393.68	2.01	-64.36
CC1C(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025190274	0	50	0.0	-69.57	398.25	1.80	-67.77
CC1C(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025190274	1	50	0.0	-72.14	401.07	1.72	-70.42
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190326	0	53	0.0	-67.40	422.30	2.31	-65.09
CC(C)(C)[N@H+]1CCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190326	1	53	0.0	-67.91	406.22	1.74	-66.17
C[C@@H](C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025190340	0	46	0.0	-66.70	379.13	0.99	-65.71
C=CCC(C)(C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025190353	0	53	0.0	-76.76	415.68	2.82	-73.94
O=C(CC[NH+]1CCCC1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190367	0	50	0.0	-71.25	409.00	2.29	-68.96
C[N@H+](CCO)CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190376	1	47	0.0	-69.66	389.11	-1.98	-71.64
C[N@@H+](CCO)CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190376	1	47	0.0	-70.70	388.90	-1.98	-72.68
C[N@H+]1CC=C(CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025190425	0	51	0.0	-69.58	420.09	2.93	-66.65
C[N@@H+]1CC=C(CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025190425	1	51	0.0	-68.07	420.25	2.91	-65.16
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190443	0	51	0.0	-78.71	409.02	-1.31	-80.02
C[N@H+]1CC(O)CC1(C)C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190443	1	51	0.0	-78.71	407.74	-1.44	-80.15
CC1C[NH+](CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025190469	1	47	0.0	-69.76	392.20	1.69	-68.07
CC[N@@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025190475	0	53	0.0	-64.83	416.97	3.08	-61.75
CC[N@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025190475	1	53	0.0	-68.76	423.53	2.90	-65.86
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025190486	0	51	0.0	-72.76	406.14	3.12	-69.64
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025190486	1	51	0.0	-69.86	411.33	2.43	-67.43
O=C(C=CC[NH+]1CCCC1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190507	0	51	0.0	-72.58	421.99	2.93	-69.65
CC[N@H+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190548	0	46	0.0	-69.32	378.75	1.26	-68.06
O=C(CN1CC2C=CC1C2)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190579	0	49	0.0	-67.86	400.58	2.56	-65.30
O=C(C[N@@H+]1CC2C=CC1C2)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190579	1	49	0.0	-67.83	400.09	2.55	-65.28
O=C(C[N@H+]1CC2C=CC1C2)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190579	1	49	0.0	-67.83	400.09	2.55	-65.28
CC(OCC[NH+](C)C)C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190653	0	53	0.0	-71.95	435.89	2.33	-69.62
C[NH+](C)CCOCCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190660	0	53	0.0	-70.66	437.85	1.39	-69.27
COCCN(C)CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190662	0	50	0.0	-70.94	411.16	0.42	-70.52
COCC[N@H+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190662	1	50	0.0	-69.76	411.36	0.42	-69.34
COCC[N@@H+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190662	1	50	0.0	-69.76	411.36	0.42	-69.34
CC(CCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025190665	0	52	0.0	-71.09	418.38	2.34	-68.75
CC[N@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025190679	0	50	0.0	-67.00	407.28	2.54	-64.46
C[N@@H+]1CC2CC1(C(=O)N[C@]13C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025190704	0	48	0.0	-71.45	393.15	1.70	-69.75
O=C(C[N@@H+]1CC2CCC1C2)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190711	0	51	0.0	-67.36	407.46	2.68	-64.68
O=C(C[N@H+]1CC2CCC1C2)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190711	1	51	0.0	-67.36	407.46	2.68	-64.68
CC(C[NH+](C)C)C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190725	0	49	0.0	-72.05	399.41	1.86	-70.19
CCN1CCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190755	0	47	0.0	-69.35	392.75	1.55	-67.80
CC[N@@H+]1CCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190755	1	47	0.0	-66.60	385.45	1.23	-65.37
CC[N@H+]1CCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190755	1	47	0.0	-66.60	385.45	1.23	-65.37
CCC(C)(C)[NH2+]C(C)C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190763	0	55	0.0	-66.21	426.44	1.17	-65.04
CCCC(C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025190794	0	52	0.0	-66.77	416.56	2.95	-63.82
C[NH+](C)C(C)(C)C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190798	0	49	0.0	-72.12	388.40	1.65	-70.47
CC(CC[NH+](C)C)C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190811	0	52	0.0	-71.51	421.07	2.49	-69.02
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190861	0	53	0.0	-65.01	421.50	2.20	-62.81
C[NH+](C)CCCCCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190863	0	55	0.0	-73.39	447.89	3.51	-69.88
CN1CCN(CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025190870	0	52	0.0	-69.51	420.04	0.10	-69.41
C[NH+]1CCN(CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025190870	1	52	0.0	-69.51	420.04	0.10	-69.41
CC1CN(C)CC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)O1	REAL300025190916	0	51	0.0	-79.52	419.60	1.72	-77.80
CC1C[N@H+](C)CC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)O1	REAL300025190916	1	51	0.0	-83.37	412.91	1.69	-81.68
CC1C[N@@H+](C)CC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)O1	REAL300025190916	1	51	0.0	-83.37	412.91	1.69	-81.68
C[N@@H+]1CCCCC1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190962	0	50	0.0	-66.37	393.68	2.01	-64.36
C[N@@H+]1CCC(=CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025191023	0	48	0.0	-74.49	399.98	2.12	-72.37
C[N@H+]1CCC(=CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025191023	1	48	0.0	-74.49	399.98	2.12	-72.37
O=C(CNC1=CC=[NH+]C=C1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191025	0	46	0.0	-70.91	396.39	-0.13	-71.04
C[NH+](C)C1(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CCCC1	REAL300025191076	0	53	0.0	-73.45	412.15	2.87	-70.58
CCC1CN(CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025191085	0	50	0.0	-70.72	413.36	2.39	-68.33
CCC1C[NH+](CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025191085	1	50	0.0	-70.72	413.36	2.39	-68.33
C[N@@H+]1CCC[C@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191094	0	47	0.0	-65.93	380.69	1.14	-64.79
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025191176	0	50	0.0	-73.70	410.23	2.34	-71.36
C[NH+](C)CCC1(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025191184	0	53	0.0	-77.54	436.80	3.14	-74.40
C[N@@H+]1CC=CCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191185	0	51	0.0	-74.37	412.26	2.63	-71.74
C[N@H+]1CC=CCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191185	1	51	0.0	-66.16	407.29	2.54	-63.62
C[NH+](C)CCOCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191214	0	50	0.0	-72.06	416.90	1.60	-70.46
[NH2+]=C1SC=CN1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191239	0	43	0.0	-64.16	387.99	0.77	-63.39
C[C@@H](OCC[NH+](C)C)C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191272	0	53	0.0	-71.45	436.68	2.28	-69.17
C[N@@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025191298	0	50	0.0	-62.59	399.65	2.44	-60.15
C[N@H+]1CCCC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025191298	1	50	0.0	-62.59	399.65	2.44	-60.15
O=C(C[NH+]1CCCCCC1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191299	0	53	0.0	-69.58	411.77	2.65	-66.93
CN1C=C[N+](CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300025191302	0	45	0.0	-68.61	392.26	4.11	-64.50
O=C(CN1CCC(O)CC1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191321	0	51	0.0	-74.13	413.89	-0.88	-75.01
O=C(C[NH+]1CCC(O)CC1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191321	1	51	0.0	-74.13	413.89	-0.88	-75.01
C[N@H+](CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025191322	0	47	0.0	-66.96	390.33	1.99	-64.97
O=C(CC[N@H+]1CCC(F)C1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191325	0	50	0.0	-72.26	415.33	2.38	-69.88
CC(CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025191344	0	52	0.0	-73.05	418.21	2.59	-70.46
CN1CCOCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191363	0	51	0.0	-77.19	411.59	0.43	-76.76
C[N@@H+]1CCOCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191363	1	51	0.0	-69.05	404.17	0.25	-68.80
C[N@H+]1CCOCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191363	1	51	0.0	-69.05	404.17	0.25	-68.80
CC1(O)CC[N@H+](CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025191426	0	51	0.0	-69.04	416.82	-1.02	-70.06
C[NH+]1CC(CC(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025191449	0	47	0.0	-69.81	392.19	1.43	-68.38
C[N@H+](CCO)CCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191473	0	50	0.0	-70.61	411.45	-1.43	-72.04
C[N@@H+](CCO)CCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191473	1	50	0.0	-70.61	411.45	-1.43	-72.04
C[N@@H+]1CCCCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191488	0	53	0.0	-65.71	412.79	2.64	-63.07
C[N@H+]1CCCCC1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191488	1	53	0.0	-65.71	412.79	2.64	-63.07
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)N1CC(C)C1	REAL300025191498	0	50	0.0	-68.19	408.90	2.34	-65.85
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300025191498	1	50	0.0	-68.19	408.90	2.34	-65.85
CC1CCN1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191500	0	47	0.0	-67.78	386.54	1.42	-66.36
CC1CC[N@@H+]1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191500	1	47	0.0	-67.48	386.75	1.41	-66.07
CC1CC[N@H+]1CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191500	1	47	0.0	-67.48	386.75	1.41	-66.07
C[NH+](C)CC=CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191506	0	47	0.0	-73.80	396.61	1.80	-72.00
O=C(C[N@H+]1CCCC1CO)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191547	0	51	0.0	-68.36	413.88	-0.79	-69.15
CC[NH+](CC)CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191551	0	49	0.0	-67.76	392.21	1.69	-66.07
O=C(CN1CCC1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191560	0	44	0.0	-69.70	371.23	1.07	-68.63
O=C(C[NH+]1CCC1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191560	1	44	0.0	-69.70	371.23	1.07	-68.63
CC[NH+](CC)CCC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191588	0	52	0.0	-70.60	418.97	2.51	-68.09
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)N1CCC1	REAL300025191640	0	47	0.0	-69.75	390.92	1.51	-68.24
CC(C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025191640	1	47	0.0	-69.75	390.92	1.51	-68.24
CCC(CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025191645	0	55	0.0	-73.58	435.97	3.19	-70.39
C[NH+](C)CC(C)(C)C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191650	0	52	0.0	-70.49	410.49	2.32	-68.17
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191682	0	50	0.0	-68.58	403.05	2.19	-66.39
C[NH+](C)CC(O)CC(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025191703	0	50	0.0	-75.72	413.73	-0.46	-76.18
C=CCC(C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025191724	0	50	0.0	-64.58	404.19	2.01	-62.57
C[NH+]1CCC(C)(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025191736	0	53	0.0	-73.47	418.27	2.66	-70.81
NC(=[NH2+])SCC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025191757	0	41	0.0	-79.46	369.53	-2.54	-82.00
C[NH+](C)CCC1(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025191781	0	53	0.0	-81.07	432.24	2.93	-78.14
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025191782	0	51	0.0	-81.13	411.55	2.62	-78.51
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025191782	1	51	0.0	-81.13	411.55	2.62	-78.51
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025191792	0	53	0.0	-72.78	432.61	2.11	-70.67
CCC1C[NH+](CC(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025191867	1	50	0.0	-76.95	413.48	2.34	-74.61
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025191872	1	47	0.0	-74.39	379.48	1.03	-73.36
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)CC[N@@H+]1CCC(F)C1)C2	REAL300025191878	1	50	0.0	-82.73	415.74	2.35	-80.38
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C[NH+]1CCCCC1)C2	REAL300025191891	0	50	0.0	-75.06	403.12	2.43	-72.63
CC1C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025191897	0	50	0.0	-77.71	401.93	2.05	-75.66
CC1C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025191897	1	50	0.0	-75.29	398.18	1.56	-73.73
CN1CCOCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025191926	0	51	0.0	-69.90	404.08	0.25	-69.65
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025191926	1	51	0.0	-70.78	404.22	0.23	-70.55
C[N@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025191926	1	51	0.0	-69.90	404.08	0.25	-69.65
CCOCC(N=[N+]=[N-])C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025191934	0	47	0.0	-25.73	412.56	-3.24	-28.97
C[NH+](C)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025192082	0	52	0.0	-74.35	398.68	3.81	-70.54
C[C@@H](C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025192087	0	55	0.0	-71.72	414.75	4.19	-67.53
[N-]=[N+]=NCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CSC2=NC(=O)NN2)C1	REAL300025192090	0	46	0.0	-22.99	375.66	-0.59	-23.58
C[C@@H](C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025192100	0	55	0.0	-71.72	414.75	4.19	-67.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]2CN(C(=O)C[NH+]3CCC3)CC[C@@H]21	REAL300025192108	1	53	0.0	-73.89	408.78	4.24	-69.65
C[C@H](C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025192113	0	55	0.0	-71.50	414.82	4.19	-67.31
CC[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025192125	1	55	0.0	-73.72	416.43	4.48	-69.24
C[C@@H](C(=O)N1CCC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21)[NH+](C)C	REAL300025192271	0	55	0.0	-70.43	415.19	4.24	-66.19
CC[N@H+](C)CC(=O)N1CCC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025192290	0	55	0.0	-72.39	416.45	4.47	-67.92
CC[N@@H+](C)CC(=O)N1CCC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025192290	1	55	0.0	-72.21	416.44	4.50	-67.71
C[C@H](C(=O)N1CCC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21)[NH+](C)C	REAL300025192303	0	55	0.0	-70.66	414.48	4.13	-66.53
[N-]=[N+]=NCC(=O)N1CCC[C@@H]2CN(C(=O)CSC3=NC(=O)NN3)CC[C@@H]21	REAL300025192328	0	46	0.0	-22.58	375.58	-0.61	-23.19
C[NH+](C)CC(=O)N1CCC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025192359	0	52	0.0	-73.12	398.74	3.83	-69.29
C[C@@H](C(=O)N1CCC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21)[NH+](C)C	REAL300025192362	0	55	0.0	-70.43	415.19	4.24	-66.19
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC2)C1	REAL300025192369	1	53	0.0	-72.70	408.76	4.24	-68.46
C[N@@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025192500	0	53	0.0	-72.09	429.95	-1.77	-73.86
C[N@H+]1CCCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025192500	1	53	0.0	-74.51	424.28	-2.19	-76.70
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025192593	0	53	0.0	-75.45	424.24	-2.19	-77.64
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025192593	1	53	0.0	-69.23	428.07	-1.09	-70.32
C[NH+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025192668	0	49	0.0	-76.17	404.28	-2.73	-78.90
CC(C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+]1CCC1	REAL300025192672	1	53	0.0	-72.99	434.58	-1.71	-74.70
C[N@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CC1	REAL300025192677	0	53	0.0	-70.12	433.54	-1.25	-71.37
C[N@@H+](CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CC1	REAL300025192677	1	53	0.0	-70.58	433.52	-1.20	-71.78
C[NH+]1CC(CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025192682	0	53	0.0	-76.95	435.57	-1.90	-78.85
C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300025192689	0	52	0.0	-72.70	422.70	-2.25	-74.95
[N-]=[N+]=NCC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NC(=O)NN2)C[C@H]1O	REAL300025192692	0	43	0.0	-26.38	379.74	-6.55	-32.93
C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300025192709	0	52	0.0	-72.70	422.70	-2.25	-74.95
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCC2)C1	REAL300025192721	1	50	0.0	-73.10	414.37	-2.12	-75.22
C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300025192729	0	52	0.0	-73.15	422.70	-2.22	-75.37
CC1C[NH+](CC(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025192735	1	53	0.0	-73.04	435.13	-1.51	-74.55
CC[N@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025192750	0	52	0.0	-71.77	420.50	-1.48	-73.25
CC[N@@H+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025192750	1	52	0.0	-75.45	422.01	-2.06	-77.51
C[NH+](C)CC=CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025192765	0	53	0.0	-79.13	441.79	-1.39	-80.52
CC[N@@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025192769	1	53	0.0	-75.10	435.31	-1.74	-76.84
CC[N@H+]1CCC1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025192769	1	53	0.0	-73.40	436.21	-1.62	-75.02
C[NH+](C)C1(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300025192798	0	53	0.0	-79.31	431.06	-2.08	-81.39
CC1CC[N@@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025192821	1	53	0.0	-71.79	435.39	-1.51	-73.30
CC1CC[N@H+]1CC(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025192821	1	53	0.0	-70.84	429.85	-1.79	-72.63
C[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025192921	0	53	0.0	-72.72	429.30	-1.75	-74.47
C[N@H+]1CCCC1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025192921	1	53	0.0	-72.86	430.36	-1.54	-74.40
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193071	0	53	0.0	-75.42	424.23	-2.09	-77.51
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193071	1	53	0.0	-73.48	429.92	-1.64	-75.12
C[C@@H](C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025193122	0	52	0.0	-74.56	421.75	-2.31	-76.87
CC1C[NH+](CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025193143	1	53	0.0	-76.62	434.32	-1.52	-78.14
CC[N@H+](C)CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193160	0	52	0.0	-75.95	422.29	-1.98	-77.93
CC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193160	1	52	0.0	-76.10	420.69	-1.50	-77.60
C[NH+](C)C1(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025193186	0	53	0.0	-80.84	428.36	-1.79	-82.63
C[C@H](C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025193190	0	52	0.0	-75.33	421.77	-2.29	-77.62
CC[N@@H+]1CCC1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193192	1	53	0.0	-74.16	427.98	-1.76	-75.92
CC[N@H+]1CCC1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193192	1	53	0.0	-75.27	436.23	-1.66	-76.93
[N-]=[N+]=NCC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025193237	0	43	0.0	-27.02	381.76	-7.08	-34.10
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193248	0	53	0.0	-72.38	429.78	-1.65	-74.03
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193248	1	53	0.0	-75.04	424.23	-2.10	-77.14
C[N@H+](CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025193279	0	53	0.0	-73.35	433.84	-1.24	-74.59
C[N@@H+](CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025193279	1	53	0.0	-73.85	433.96	-1.24	-75.09
C[NH+]1CC(CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025193301	0	53	0.0	-76.94	435.72	-1.89	-78.83
C[NH+](C)CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193304	0	49	0.0	-76.48	404.10	-2.61	-79.09
C[C@@H](C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025193307	0	52	0.0	-74.56	421.75	-2.31	-76.87
CC1CC[N@@H+]1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193314	1	53	0.0	-74.37	430.01	-1.93	-76.30
CC1CC[N@H+]1CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193314	1	53	0.0	-73.89	429.81	-1.79	-75.68
C[NH+](C)CC=CC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193315	0	53	0.0	-80.91	439.60	-1.48	-82.39
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C[NH+]2CCC2)C[C@H]1O	REAL300025193321	1	50	0.0	-76.12	414.37	-2.12	-78.24
CC(C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025193338	1	53	0.0	-73.47	432.77	-1.57	-75.04
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025193392	0	53	0.0	-72.06	429.98	-1.78	-73.84
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025193392	1	53	0.0	-71.76	424.24	-2.09	-73.85
C[NH+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC12CCC2	REAL300025193473	0	55	0.0	-65.98	421.15	2.85	-63.13
[N-]=[N+]=NCC(=O)NCC1CN(C(=O)CSC2=NC(=O)NN2)CCC12CCC2	REAL300025193478	0	49	0.0	-21.82	398.20	-1.53	-23.35
[N-]=[N+]=NCC(=O)N1CCC2(CCC2)C(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025193542	0	49	0.0	-23.22	399.89	-1.57	-24.79
C[NH+](C)CC(=O)N1CCC2(CCC2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193549	0	55	0.0	-74.67	422.92	2.83	-71.84
C[NH+](C)CC(=O)NCC1CC2COCC2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025193655	0	50	0.0	-70.79	394.85	0.73	-70.06
C[C@@H](C(=O)NCC1CC2COCC2N1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025193660	0	53	0.0	-72.49	413.43	1.03	-71.46
[N-]=[N+]=NCC(=O)NCC1CC2COCC2N1C(=O)CSC1=NC(=O)NN1	REAL300025193663	0	44	0.0	-26.31	371.56	-3.67	-29.98
C[C@@H](C(=O)NCC1CC2COCC2N1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025193673	0	53	0.0	-72.49	413.43	1.03	-71.46
O=C(C[NH+]1CCC1)NCC1CC2COCC2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025193681	1	51	0.0	-56.72	409.76	1.54	-55.18
C[C@H](C(=O)NCC1CC2COCC2N1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025193686	0	53	0.0	-72.48	419.01	0.56	-71.92
CC[N@H+](C)CC(=O)NCC1CC2COCC2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025193698	0	53	0.0	-58.93	410.98	1.56	-57.37
CC[N@@H+](C)CC(=O)NCC1CC2COCC2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025193698	1	53	0.0	-73.72	413.42	1.30	-72.42
C[C@@H](C(=O)N1C(CNC(=O)CSC2=NNC(=O)[N-]2)CC2COCC21)[NH+](C)C	REAL300025193835	0	53	0.0	-64.36	413.06	1.21	-63.15
CC[N@H+](C)CC(=O)N1C(CNC(=O)CSC2=NNC(=O)[N-]2)CC2COCC21	REAL300025193854	0	53	0.0	-74.72	422.16	0.87	-73.85
CC[N@@H+](C)CC(=O)N1C(CNC(=O)CSC2=NNC(=O)[N-]2)CC2COCC21	REAL300025193854	1	53	0.0	-69.70	417.37	1.68	-68.02
C[C@H](C(=O)N1C(CNC(=O)CSC2=NNC(=O)[N-]2)CC2COCC21)[NH+](C)C	REAL300025193867	0	53	0.0	-67.12	416.79	1.48	-65.64
[N-]=[N+]=NCC(=O)N1C(CNC(=O)CSC2=NC(=O)NN2)CC2COCC21	REAL300025193891	0	44	0.0	-23.36	369.88	-3.65	-27.01
C[NH+](C)CC(=O)N1C(CNC(=O)CSC2=NNC(=O)[N-]2)CC2COCC21	REAL300025193918	0	50	0.0	-69.67	395.86	1.17	-68.50
C[C@@H](C(=O)N1C(CNC(=O)CSC2=NNC(=O)[N-]2)CC2COCC21)[NH+](C)C	REAL300025193921	0	53	0.0	-64.36	413.06	1.21	-63.15
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2COCC2N1C(=O)C[NH+]1CCC1	REAL300025193928	1	51	0.0	-68.35	407.78	1.62	-66.73
C[NH+](C)CC(=O)N1C[C@@H](CC(C)(C)C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025193994	0	57	0.0	-66.08	443.14	2.82	-63.26
CC(C)(C)C[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025193999	0	51	0.0	-22.82	422.12	-1.50	-24.32
CC(C)(C)C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1NC(=O)CN=[N+]=[N-]	REAL300025194058	0	51	0.0	-23.38	422.12	-1.45	-24.83
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CC(C)(C)C	REAL300025194065	0	57	0.0	-69.44	443.27	3.02	-66.42
C[N@@H+]1CCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194177	0	53	0.0	-64.97	422.75	2.69	-62.28
C[N@H+]1CCCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194177	1	53	0.0	-62.86	426.34	3.11	-59.75
CCC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025194280	0	55	0.0	-63.28	433.78	3.35	-59.93
CCC[N@H+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194285	0	55	0.0	-65.25	443.08	3.96	-61.29
CCC[N@@H+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194285	1	55	0.0	-65.26	443.07	3.97	-61.29
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194293	0	53	0.0	-63.25	422.80	2.77	-60.48
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194293	1	53	0.0	-62.02	425.91	3.07	-58.95
CC[NH+](CC)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194298	0	55	0.0	-63.49	435.45	3.62	-59.87
CC[N@H+](C)CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194356	0	55	0.0	-66.75	443.93	3.77	-62.98
CC[N@@H+](C)CCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194356	1	55	0.0	-66.78	443.94	3.78	-63.00
CC[C@@H](C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025194359	0	55	0.0	-62.36	431.72	3.08	-59.28
C[NH+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194377	0	49	0.0	-65.82	404.33	2.19	-63.63
CC(C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025194381	1	53	0.0	-62.73	428.57	2.97	-59.76
C[N@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025194388	0	53	0.0	-62.71	433.13	3.95	-58.76
C[N@@H+](CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025194388	1	53	0.0	-62.90	433.27	3.97	-58.93
C[NH+]1CC(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025194394	0	53	0.0	-67.06	435.13	3.39	-63.67
C[C@@H](C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025194401	0	52	0.0	-62.93	420.54	2.70	-60.23
[N-]=[N+]=NCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300025194404	0	43	0.0	-22.54	381.31	-2.14	-24.68
C[C@@H](C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025194423	0	52	0.0	-62.93	420.54	2.70	-60.23
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1C1CC1	REAL300025194441	1	50	0.0	-65.43	414.40	2.60	-62.83
C[C@H](C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025194452	0	52	0.0	-64.20	421.30	2.55	-61.65
CC1C[NH+](CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025194459	1	53	0.0	-64.76	434.51	3.42	-61.34
C[N@H+](CCO)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194470	1	53	0.0	-65.22	432.38	-0.39	-65.61
C[N@@H+](CCO)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194470	1	53	0.0	-65.44	431.71	-0.03	-65.47
CC[N@H+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194477	0	52	0.0	-64.82	421.56	2.88	-61.94
CC[N@@H+](C)CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194477	1	52	0.0	-64.92	421.57	3.22	-61.70
C[NH+](C)CC=CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194495	0	53	0.0	-69.64	439.07	3.72	-65.92
CC[N@@H+]1CCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194501	1	53	0.0	-63.09	425.07	2.82	-60.27
CC[N@H+]1CCC1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194501	1	53	0.0	-62.53	426.69	2.82	-59.71
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194515	0	55	0.0	-64.84	423.08	3.07	-61.77
C[NH+](C)C1(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025194538	0	53	0.0	-61.79	423.06	3.52	-58.27
CC(C[NH+](C)C)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194560	0	55	0.0	-66.81	438.50	3.56	-63.25
CC1CC[N@@H+]1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194571	1	53	0.0	-63.34	429.65	3.37	-59.97
CC1CC[N@H+]1CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025194571	1	53	0.0	-63.81	435.17	3.64	-60.17
C[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025194686	0	53	0.0	-68.44	430.95	3.39	-65.05
C[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025194686	1	53	0.0	-72.12	429.64	3.31	-68.81
CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1)[NH+](C)C	REAL300025194760	0	55	0.0	-70.05	435.84	3.15	-66.90
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025194764	0	55	0.0	-72.19	443.07	4.01	-68.18
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025194764	1	55	0.0	-72.34	443.07	4.01	-68.33
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025194781	0	55	0.0	-76.70	443.93	3.48	-73.22
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025194781	1	55	0.0	-76.59	443.92	3.49	-73.10
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1)[NH+](C)C	REAL300025194822	0	55	0.0	-72.62	434.08	3.31	-69.31
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025194868	0	53	0.0	-73.55	424.26	2.79	-70.76
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025194868	1	53	0.0	-71.54	430.35	3.27	-68.27
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1)[NH+](C)C	REAL300025194923	0	52	0.0	-74.01	422.41	2.64	-71.37
C[N@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025194933	1	53	0.0	-73.25	431.93	0.02	-73.23
C[N@@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025194933	1	53	0.0	-72.01	431.71	0.02	-71.99
CC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C2CC2)C1	REAL300025194949	1	53	0.0	-75.94	435.14	3.42	-72.52
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025194967	0	52	0.0	-71.82	421.57	3.26	-68.56
CC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025194967	1	52	0.0	-71.99	421.57	3.26	-68.73
CC(C[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025195000	0	55	0.0	-69.35	442.80	3.57	-65.78
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C2CC2)CC1	REAL300025195003	0	53	0.0	-66.87	431.16	2.97	-63.90
C[C@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1)[NH+](C)C	REAL300025195007	0	52	0.0	-72.92	422.45	2.65	-70.27
CC[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025195010	1	53	0.0	-73.51	428.39	2.94	-70.57
CC[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025195010	1	53	0.0	-63.89	428.01	2.91	-60.98
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025195019	0	55	0.0	-74.11	430.99	3.74	-70.37
[N-]=[N+]=NCC(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1C1CC1	REAL300025195068	0	43	0.0	-23.45	380.81	-1.81	-25.26
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025195081	0	53	0.0	-69.06	429.65	3.63	-65.43
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025195081	1	53	0.0	-72.90	423.88	3.14	-69.76
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1)C1CC1	REAL300025195118	0	53	0.0	-65.74	433.63	3.72	-62.02
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1)C1CC1	REAL300025195118	1	53	0.0	-66.76	433.76	3.72	-63.04
C[NH+]1CC(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C2CC2)C1	REAL300025195146	0	53	0.0	-75.07	434.93	3.02	-72.05
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025195149	0	49	0.0	-69.09	404.37	2.31	-66.78
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1)[NH+](C)C	REAL300025195152	0	52	0.0	-74.01	422.41	2.64	-71.37
CC1CC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025195161	1	53	0.0	-74.55	435.18	3.34	-71.21
CC1CC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025195161	1	53	0.0	-71.02	435.21	3.71	-67.31
C[NH+](C)CC=CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025195162	0	53	0.0	-78.58	441.54	3.49	-75.09
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300025195168	0	55	0.0	-62.80	439.56	3.63	-59.17
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1)[NH+]1CCC1	REAL300025195192	1	53	0.0	-65.39	432.14	3.34	-62.05
NC(=[NH2+])SCC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025195232	0	47	0.0	-65.36	412.87	-0.82	-66.18
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025195264	0	53	0.0	-61.22	425.68	3.08	-58.14
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025195264	1	53	0.0	-63.41	422.52	3.02	-60.39
C[NH+](C)CC(=O)N1CCCCC12CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025195387	0	52	0.0	-68.96	407.20	2.19	-66.77
C[C@@H](C(=O)N1CCCCC12CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025195392	0	55	0.0	-67.37	422.95	2.54	-64.83
[N-]=[N+]=NCC(=O)N1CCCCC12CC(NC(=O)CSC1=NC(=O)NN1)C2	REAL300025195395	0	46	0.0	-22.57	383.75	-2.12	-24.69
C[C@@H](C(=O)N1CCCCC12CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025195405	0	55	0.0	-67.37	422.95	2.54	-64.83
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CCCCN2C(=O)C[NH+]1CCC1	REAL300025195413	1	53	0.0	-66.39	400.87	3.58	-62.81
C[C@H](C(=O)N1CCCCC12CC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025195418	0	55	0.0	-66.22	422.88	2.53	-63.69
CC[N@H+](C)CC(=O)N1CCCCC12CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025195430	0	55	0.0	-68.35	424.91	2.87	-65.48
CC[N@@H+](C)CC(=O)N1CCCCC12CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025195430	1	55	0.0	-68.44	424.91	2.87	-65.57
C[C@@H](C(=O)NC1CC2(C1)CCCCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025195576	0	55	0.0	-52.43	412.10	3.86	-48.57
CC[N@H+](C)CC(=O)NC1CC2(C1)CCCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025195595	0	55	0.0	-69.30	424.91	2.97	-66.33
CC[N@@H+](C)CC(=O)NC1CC2(C1)CCCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025195595	1	55	0.0	-69.56	424.64	3.05	-66.51
C[C@H](C(=O)NC1CC2(C1)CCCCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025195608	0	55	0.0	-46.99	417.78	4.08	-42.91
[N-]=[N+]=NCC(=O)NC1CC2(C1)CCCCN2C(=O)CSC1=NC(=O)NN1	REAL300025195633	0	46	0.0	-21.51	376.38	-0.85	-22.36
C[NH+](C)CC(=O)NC1CC2(C1)CCCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025195664	0	52	0.0	-50.94	399.88	3.69	-47.25
C[C@@H](C(=O)NC1CC2(C1)CCCCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025195667	0	55	0.0	-52.43	412.10	3.86	-48.57
O=C(C[NH+]1CCC1)NC1CC2(C1)CCCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025195674	1	53	0.0	-49.73	409.97	4.11	-45.62
C[NH+](C)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025195813	0	52	0.0	-73.60	407.10	2.81	-70.79
C[C@@H](C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1)[NH+](C)C	REAL300025195818	0	55	0.0	-73.40	419.27	3.06	-70.34
[N-]=[N+]=NCC(=O)N1CCC(C2(NC(=O)CSC3=NC(=O)NN3)CC2)CC1	REAL300025195821	0	46	0.0	-25.05	379.54	-1.76	-26.81
C[C@@H](C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1)[NH+](C)C	REAL300025195831	0	55	0.0	-73.40	419.27	3.06	-70.34
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCN(C(=O)C[NH+]3CCC3)CC2)CC1	REAL300025195839	1	53	0.0	-75.31	412.65	3.08	-72.23
C[C@H](C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1)[NH+](C)C	REAL300025195844	0	55	0.0	-70.55	423.11	3.13	-67.42
CC[N@H+](C)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025195856	0	55	0.0	-72.85	424.84	3.47	-69.38
CC[N@@H+](C)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025195856	1	55	0.0	-74.84	420.28	3.33	-71.51
C[C@@H](C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1)[NH+](C)C	REAL300025196002	0	55	0.0	-66.13	425.22	3.31	-62.82
CC[N@H+](C)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025196021	0	55	0.0	-67.55	424.84	3.58	-63.97
CC[N@@H+](C)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025196021	1	55	0.0	-67.66	424.85	3.58	-64.08
C[C@H](C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1)[NH+](C)C	REAL300025196034	0	55	0.0	-66.61	425.24	3.33	-63.28
[N-]=[N+]=NCC(=O)NC1(C2CCN(C(=O)CSC3=NC(=O)NN3)CC2)CC1	REAL300025196059	0	46	0.0	-24.42	379.52	-1.63	-26.05
C[NH+](C)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025196090	0	52	0.0	-73.08	402.55	2.76	-70.32
C[C@@H](C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1)[NH+](C)C	REAL300025196093	0	55	0.0	-66.13	425.22	3.31	-62.82
O=C(C[NH+]1CCC1)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025196100	1	53	0.0	-67.96	417.41	3.39	-64.57
C[C@H](CNC(=O)C1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196296	0	45	0.0	-66.06	370.56	-0.65	-66.71
C[C@H](CNC(=O)C1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196296	1	45	0.0	-65.88	370.54	-0.65	-66.53
C[C@H](CNC(=O)C1C[N@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196320	1	46	0.0	-73.67	387.92	-0.75	-74.42
C[C@H](CNC(=O)C1C[N@@H+](C)CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196320	1	46	0.0	-69.18	380.80	-0.90	-70.08
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196495	1	52	0.0	-61.99	435.97	1.96	-60.03
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCCC1	REAL300025196502	0	54	0.0	-63.97	421.62	1.59	-62.38
CC(C)[N@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196504	0	54	0.0	-61.71	417.50	1.36	-60.35
CC(C)[N@@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196504	1	54	0.0	-61.23	423.83	1.31	-59.92
CC(C)[N@H+]1CCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196530	0	51	0.0	-62.38	409.33	0.92	-61.46
CC(C)[N@@H+]1CCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196530	1	51	0.0	-63.75	403.33	1.08	-62.67
C[C@H](CNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196554	0	52	0.0	-65.93	418.04	1.55	-64.38
C[C@H](CNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196554	1	52	0.0	-65.78	418.03	1.55	-64.23
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196581	1	49	0.0	-62.96	416.18	1.53	-61.43
CC1=[NH+]C=CN1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196628	1	43	0.0	-64.54	379.96	0.42	-64.12
CC(C[NH+]1CCOCC1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196630	0	52	0.0	-68.93	421.85	-0.48	-69.41
C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196649	0	54	0.0	-67.96	435.58	2.01	-65.95
C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196672	0	54	0.0	-63.02	419.88	1.78	-61.24
C[C@H](CNC(=O)C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196686	0	49	0.0	-69.63	391.75	0.60	-69.03
C[C@H](CNC(=O)C1CCCC2CCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196736	0	52	0.0	-60.82	414.95	1.64	-59.18
C[C@H](CNC(=O)C1CCCC2CCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196736	1	52	0.0	-60.78	415.04	1.64	-59.14
C[C@H](CNC(=O)C1=CN(CC[NH+](C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196738	0	51	0.0	-75.58	434.85	0.29	-75.29
C[C@H](CNC(=O)C1=NN(CC[NH+](C)C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196748	0	51	0.0	-72.74	435.22	0.30	-72.44
C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196754	0	48	0.0	-67.68	388.09	0.02	-67.66
C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196754	1	48	0.0	-67.69	393.36	0.05	-67.64
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196757	1	52	0.0	-62.08	436.48	2.01	-60.07
CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025196760	0	51	0.0	-67.51	407.96	0.48	-67.03
CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025196760	1	51	0.0	-65.85	411.30	1.05	-64.80
CC[N@@H+]1CCOC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025196783	1	49	0.0	-68.37	398.57	-0.27	-68.64
CC[N@H+]1CCOC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025196783	1	49	0.0	-68.02	398.57	-0.27	-68.29
CC[NH+](CC)CC(F)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196835	0	50	0.0	-67.54	413.85	0.81	-66.73
C[C@H](CNC(=O)C1=C(C[NH+](C)C)C=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196836	0	48	0.0	-62.98	415.66	1.42	-61.56
C[C@H](CNC(=O)C[NH+]1C(C)CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196927	0	51	0.0	-63.06	407.29	0.67	-62.39
C[C@H](CNC(=O)CCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196933	0	51	0.0	-67.89	420.36	1.34	-66.55
C[C@H](CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196934	0	51	0.0	-71.20	428.68	2.29	-68.91
C#CC[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025196940	0	50	0.0	-70.80	419.79	1.61	-69.19
C[C@H](CNC(=O)CC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196941	0	51	0.0	-67.80	414.08	1.21	-66.59
C[C@H](CNC(=O)C1=CC=CC=C1C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196945	0	51	0.0	-62.40	421.11	2.57	-59.83
CC[N@@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196951	0	51	0.0	-63.48	400.88	0.88	-62.60
CC[N@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196951	1	51	0.0	-62.83	410.31	1.02	-61.81
CC(C)C(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300025196952	0	57	0.0	-62.96	439.83	2.89	-60.07
C[C@H](CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196955	1	51	0.0	-65.48	425.19	2.30	-63.18
CC(C)C[N@@H+]1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025196975	0	54	0.0	-66.89	435.39	1.75	-65.14
CC(C)C[N@H+]1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025196975	1	54	0.0	-67.08	436.50	1.76	-65.32
C[C@H](CNC(=O)C1([NH+](C)C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196979	0	48	0.0	-66.51	384.47	-0.01	-66.52
C[C@H](CNC(=O)C(CN1C=CC=N1)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196980	1	51	0.0	-66.13	423.52	0.05	-66.08
CC(C)[N@H+]1CCCC1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196985	0	54	0.0	-65.04	429.86	1.43	-63.61
CC(C)[N@@H+]1CCCC1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196985	1	54	0.0	-60.96	419.75	1.34	-59.62
C[C@H](CNC(=O)C1CCC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196986	0	55	0.0	-64.59	426.55	2.14	-62.45
C[C@H](CNC(=O)C1CCC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196986	1	55	0.0	-63.52	436.46	2.20	-61.32
CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025197002	0	50	0.0	-64.75	396.19	0.70	-64.05
C[C@H](CNC(=O)C[N@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197056	0	48	0.0	-65.51	396.65	0.78	-64.73
C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197056	1	48	0.0	-65.35	396.75	0.79	-64.56
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1C(C)CCC1C	REAL300025197129	0	54	0.0	-61.19	421.22	1.15	-60.04
C[C@H](CNC(=O)CCN(C)C1=CC=[NH+]C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197190	0	50	0.0	-64.37	425.01	0.46	-63.91
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197198	1	47	0.0	-64.57	397.18	0.58	-63.99
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197198	1	47	0.0	-64.34	402.76	1.09	-63.25
C[C@H](CNC(=O)CCC1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197205	0	51	0.0	-67.19	412.47	0.83	-66.36
C[C@H](CNC(=O)CCC1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197205	1	51	0.0	-67.95	417.92	1.30	-66.65
C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197217	0	52	0.0	-68.05	407.92	1.00	-67.05
C[C@H](CNC(=O)C1CCC2CCCC[N@@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197224	0	52	0.0	-63.06	411.41	1.28	-61.78
C[C@H](CNC(=O)C1CCC2CCCC[N@H+]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197224	1	52	0.0	-62.88	411.22	1.29	-61.59
C[C@H](CNC(=O)CCCC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197249	0	54	0.0	-68.22	441.86	2.12	-66.10
C[C@H](CNC(=O)C[N@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197251	1	51	0.0	-70.79	427.19	2.40	-68.39
C[C@H](CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197251	1	51	0.0	-70.87	427.19	2.40	-68.47
C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197265	0	48	0.0	-69.64	395.11	0.46	-69.18
C[C@H](CNC(=O)C1=NOC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197315	1	47	0.0	-76.01	409.65	-0.17	-76.18
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=CC2=C[NH+]=CN21	REAL300025197316	0	46	0.0	-66.93	394.62	2.66	-64.27
C[C@H](CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197351	0	48	0.0	-64.19	392.49	0.40	-63.79
C[C@H](CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197351	1	48	0.0	-64.09	392.50	0.40	-63.69
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197376	0	54	0.0	-63.36	434.24	1.98	-61.38
CC(C)C[N@H+]1CCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197376	1	54	0.0	-63.88	424.49	2.06	-61.82
C[C@H](CNC(=O)C1=CN2C=[NH+]C=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197496	0	43	0.0	-68.02	380.70	2.30	-65.72
CC1=[NH+]C=CN1CCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197506	1	49	0.0	-65.41	421.50	1.71	-63.70
C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197514	0	51	0.0	-72.53	428.67	2.29	-70.24
C[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197515	1	49	0.0	-70.82	405.80	-1.18	-72.00
CC1=C[NH+]=CN1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197551	1	43	0.0	-67.05	379.25	1.11	-65.94
C[C@H](CNC(=O)CN1C=[NH+]C2=C1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197558	1	50	0.0	-65.89	422.12	2.88	-63.01
C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197596	0	57	0.0	-68.43	435.19	2.45	-65.98
C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197602	0	57	0.0	-68.66	448.94	2.40	-66.26
C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197602	1	57	0.0	-68.54	448.95	2.40	-66.14
C[C@H](CNC(=O)C12CCC[NH+]1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197604	0	49	0.0	-63.92	395.12	0.79	-63.13
C[C@H](CNC(=O)C1CCCC([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197641	0	54	0.0	-64.91	422.82	1.46	-63.45
C[C@H](CNC(=O)CC1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197644	0	48	0.0	-69.45	396.85	0.40	-69.05
C[C@H](CNC(=O)CC1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197644	1	48	0.0	-69.09	397.33	0.36	-68.73
C[C@H](CNC(=O)C1=C[NH+]=CC=C1N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197656	0	47	0.0	-69.53	401.56	-0.36	-69.89
CCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025197661	0	47	0.0	-64.73	380.77	-0.17	-64.90
C[C@H](CNC(=O)CC1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197678	0	54	0.0	-62.76	418.75	1.50	-61.26
C[C@H](CNC(=O)C1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197727	1	43	0.0	-69.97	380.97	2.30	-67.67
C[C@H](CNC(=O)CCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197791	0	50	0.0	-69.53	415.89	0.94	-68.59
CC(C)C(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025197811	0	50	0.0	-65.30	400.16	0.87	-64.43
CCC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197813	0	50	0.0	-68.76	412.13	0.77	-67.99
CCC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197813	1	50	0.0	-68.81	412.13	0.75	-68.06
CCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197819	0	47	0.0	-67.23	389.76	0.22	-67.01
CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197819	1	47	0.0	-67.27	389.76	0.20	-67.07
C[C@H](CNC(=O)C12CC[N@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197846	0	49	0.0	-69.12	392.47	0.02	-69.10
C[C@H](CNC(=O)C12CC[N@@H+](C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197846	1	49	0.0	-67.59	392.18	0.00	-67.59
C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197893	0	45	0.0	-64.27	375.62	-0.14	-64.41
C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197893	1	45	0.0	-65.87	370.49	-0.65	-66.52
C[C@H](CNC(=O)C1CCC2CC(C)C[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197917	0	55	0.0	-64.81	438.89	2.11	-62.70
C[C@H](CNC(=O)C1CCC2CC(C)C[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197917	1	55	0.0	-64.73	438.37	2.16	-62.57
CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197961	0	56	0.0	-68.31	454.26	2.56	-65.75
CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197961	1	56	0.0	-68.25	454.26	2.56	-65.69
CC[NH+](CC)C(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025197967	0	56	0.0	-61.37	431.74	2.02	-59.35
CC[NH+](CC)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197976	0	47	0.0	-65.50	382.12	-0.12	-65.62
CCC[N@@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198009	0	54	0.0	-66.46	434.26	1.83	-64.63
CCC[N@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198009	1	54	0.0	-62.42	428.03	2.02	-60.40
CC(C)[N@H+]1CCOC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198030	0	52	0.0	-70.30	422.46	0.41	-69.89
CC(C)[N@@H+]1CCOC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198030	1	52	0.0	-70.21	422.46	0.43	-69.78
C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198065	0	51	0.0	-67.05	413.49	1.30	-65.75
C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198099	0	52	0.0	-72.81	430.49	0.90	-71.91
C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198114	0	48	0.0	-66.90	401.99	0.54	-66.36
CC1=[NH+]C=C2CCC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)CN21	REAL300025198115	1	50	0.0	-61.61	418.15	1.54	-60.07
C[C@H](CNC(=O)C1(C)CC(O)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199172	0	49	0.0	-67.55	398.90	-3.10	-70.65
C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199186	0	53	0.0	-65.75	421.74	-1.44	-67.19
C[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199186	1	53	0.0	-65.75	421.74	-1.44	-67.19
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(O)C1	REAL300025199187	0	52	0.0	-64.45	421.41	-2.29	-66.74
C[C@H](CNC(=O)CN1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199200	0	52	0.0	-69.62	424.32	-2.01	-71.63
C[C@H](CNC(=O)C[NH+]1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199200	1	52	0.0	-69.62	424.32	-2.01	-71.63
C[C@H](CNC(=O)CC1(O)CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199209	0	52	0.0	-66.43	417.98	-0.75	-67.18
C[C@H](CNC(=O)CC1(O)CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199209	1	52	0.0	-66.43	417.98	-0.75	-67.18
C[C@H](CNC(=O)CN1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199212	0	45	0.0	-67.13	381.81	-0.11	-67.24
C[C@H](CNC(=O)C[NH+]1CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199212	1	45	0.0	-67.13	381.81	-0.11	-67.24
C[C@H](CNC(=O)CN(C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199240	0	45	0.0	-67.66	378.62	-3.76	-71.42
C[C@H](CNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199240	1	45	0.0	-67.18	378.40	-3.76	-70.94
C[C@H](CNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199240	1	45	0.0	-67.18	378.40	-3.76	-70.94
C[C@H](CNC(=O)C=C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199261	0	53	0.0	-67.80	423.58	1.74	-66.06
C[C@H](CNC(=O)C1C[N@@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199266	0	51	0.0	-72.29	397.34	-1.40	-73.69
C[C@H](CNC(=O)C1C[N@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199266	1	51	0.0	-72.29	397.34	-1.40	-73.69
CC[N@@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025199273	0	51	0.0	-62.23	406.50	1.27	-60.96
CC[N@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025199273	1	51	0.0	-62.23	406.50	1.27	-60.96
CC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025199275	0	50	0.0	-69.00	407.72	0.81	-68.19
CC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199290	0	44	0.0	-66.84	368.26	-0.52	-67.36
C[C@H](CNC(=O)C12CCC[N@@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199318	0	52	0.0	-62.23	405.68	1.35	-60.88
C[C@H](CNC(=O)C12CCC[N@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199318	1	52	0.0	-62.23	405.68	1.35	-60.88
C[C@H](CNC(=O)C12CCC[N@@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199327	0	50	0.0	-64.27	396.56	1.70	-62.57
C[C@H](CNC(=O)C12CCC[N@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199327	1	50	0.0	-64.27	396.56	1.70	-62.57
CC[N@H+](CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025199351	0	48	0.0	-63.70	395.48	0.56	-63.14
CC[NH+](CC)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199374	0	50	0.0	-67.27	408.48	0.71	-66.56
C[C@H](CNC(=O)CCCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199409	0	57	0.0	-68.41	457.08	2.79	-65.62
C[C@H](CNC(=O)C[N@@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199440	0	49	0.0	-67.30	406.94	-2.79	-70.09
C[C@H](CNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199449	0	45	0.0	-70.94	387.76	0.05	-70.89
CC(OCC[NH+](C)C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199473	0	51	0.0	-68.11	426.18	0.55	-67.56
C[C@H](CNC(=O)CCOCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199484	0	51	0.0	-67.22	427.35	-0.39	-67.61
COCCN(C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199485	0	48	0.0	-67.02	400.65	-1.37	-68.39
COCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199485	1	48	0.0	-67.56	400.87	-1.36	-68.92
COCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199485	1	48	0.0	-67.56	400.87	-1.36	-68.92
C[C@H](CNC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199533	0	51	0.0	-66.55	401.99	1.08	-65.47
CC(CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025199536	0	50	0.0	-69.09	403.88	0.54	-68.55
CCN1CCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199546	0	45	0.0	-65.85	382.20	-0.23	-66.08
CC[N@@H+]1CCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199546	1	45	0.0	-65.74	382.17	-0.17	-65.91
CC[N@H+]1CCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199546	1	45	0.0	-65.74	382.17	-0.17	-65.91
CC(C)[N@@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025199557	0	54	0.0	-64.79	429.44	1.59	-63.20
CC(C)[N@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025199557	1	54	0.0	-64.79	429.44	1.59	-63.20
C[C@H](CNC(=O)C[N@@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199571	0	49	0.0	-65.41	405.38	-2.65	-68.06
C[C@H](CNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199597	0	52	0.0	-65.78	418.03	1.55	-64.23
C[C@H](CNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199597	1	52	0.0	-65.78	418.03	1.55	-64.23
C[C@H](CNC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199604	0	51	0.0	-66.47	407.78	0.88	-65.59
C[C@H](CNC(=O)C1=CC(C[NH+](C)C)=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199610	0	49	0.0	-70.21	416.89	0.12	-70.09
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1CCC(O)CC1	REAL300025199628	0	52	0.0	-67.62	421.42	-2.30	-69.92
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300025199628	1	52	0.0	-67.62	421.42	-2.30	-69.92
C=CCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025199640	0	48	0.0	-64.03	393.58	0.25	-63.78
C[C@H](CNC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199657	0	51	0.0	-65.41	410.41	0.51	-64.90
C[C@H](CNC(=O)CCCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199661	0	53	0.0	-69.48	437.39	1.72	-67.76
C[C@H](CNC(=O)C1C[N@@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199705	0	51	0.0	-70.41	403.69	-2.21	-72.62
C[C@H](CNC(=O)C1C[N@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199705	1	51	0.0	-70.41	403.69	-2.21	-72.62
CCCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025199706	0	50	0.0	-66.20	405.79	1.17	-65.03
C[C@H](CNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199711	0	47	0.0	-66.18	377.99	-0.03	-66.21
C[C@H](CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199756	0	48	0.0	-64.09	392.50	0.40	-63.69
C[C@H](CNC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199803	0	49	0.0	-67.24	409.66	1.14	-66.10
C[C@H](CNC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199803	1	49	0.0	-67.24	409.66	1.14	-66.10
C[C@H](CNC(=O)CC1([NH+]2CCCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199812	0	52	0.0	-63.98	415.63	1.54	-62.44
C[C@H](CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199864	0	57	0.0	-68.87	440.53	1.92	-66.95
C[C@H](CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199864	1	57	0.0	-68.89	440.52	1.91	-66.98
C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199869	1	48	0.0	-69.80	415.11	0.61	-69.19
C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199874	0	50	0.0	-71.40	424.49	0.80	-70.60
C[C@H](CNC(=O)C=CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199888	0	49	0.0	-69.28	411.09	1.08	-68.20
C[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199913	0	52	0.0	-67.13	419.95	1.66	-65.47
C[C@H](CNC(=O)C1([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199934	0	45	0.0	-66.39	379.32	0.04	-66.35
C[C@H](CNC(=O)CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199936	0	48	0.0	-68.11	397.25	0.42	-67.69
C[C@H](CNC(=O)C1C[NH+]2CCN1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199978	0	48	0.0	-71.00	386.85	-2.73	-73.73
C[C@H](CNC(=O)C12CC(C1)C[N@H+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199988	1	46	0.0	-65.71	381.16	0.04	-65.67
C[C@H](CNC(=O)C[N@@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200002	0	49	0.0	-65.08	396.97	0.89	-64.19
C[C@H](CNC(=O)C[N@H+]1CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200002	1	49	0.0	-64.53	394.43	0.70	-63.83
CC(C)[NH+]1CCC(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025200013	0	57	0.0	-65.60	444.40	2.13	-63.47
C[C@H](CNC(=O)C=C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200060	0	50	0.0	-66.53	406.95	1.21	-65.32
C[C@H](CNC(=O)CN1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200071	0	47	0.0	-65.02	389.88	0.78	-64.24
C[C@H](CNC(=O)C[N@@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200071	1	47	0.0	-65.17	390.01	0.77	-64.40
C[C@H](CNC(=O)C[N@H+]1CC2C=CC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200071	1	47	0.0	-65.02	389.88	0.78	-64.24
CC[NH+]1CCN(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025200107	0	53	0.0	-67.19	427.29	-1.02	-68.21
CC(C[NH+](C)C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200130	0	47	0.0	-64.03	388.73	0.16	-63.87
C[C@H](CNC(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200219	0	51	0.0	-68.40	409.79	0.99	-67.41
C[C@H](CNC(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200219	1	51	0.0	-62.23	402.29	0.87	-61.36
CC1=C2C=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300025200239	1	46	0.0	-67.62	402.88	2.87	-64.75
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025200240	1	48	0.0	-64.52	398.16	0.53	-63.99
C[C@H](CNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200244	1	45	0.0	-65.81	381.86	-0.11	-65.92
C[C@H](CNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200244	1	45	0.0	-65.11	376.32	-0.38	-65.49
C[C@H](CNC(=O)CC(O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200249	0	48	0.0	-71.66	403.13	-2.15	-73.81
C[C@H](CNC(=O)C1C[N@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200282	1	49	0.0	-69.94	401.98	-0.16	-70.10
C[C@H](CNC(=O)C1C[N@@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200282	1	49	0.0	-69.49	402.01	-0.17	-69.66
C[C@H](CNC(=O)CC[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200293	0	52	0.0	-71.72	425.62	-2.12	-73.84
CCC[N@@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200296	0	54	0.0	-63.71	422.38	1.62	-62.09
CCC[N@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200296	1	54	0.0	-63.12	431.82	1.80	-61.32
CC[NH+]1CCN(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025200301	0	56	0.0	-67.89	447.98	-0.69	-68.58
CCN1CC[NH+](CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025200301	1	56	0.0	-68.89	449.14	-0.54	-69.43
C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200304	0	55	0.0	-66.60	420.92	1.55	-65.05
C[C@H](CNC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200304	1	55	0.0	-61.86	425.25	2.26	-59.60
CC(C)C[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025200345	0	57	0.0	-68.86	451.61	2.55	-66.31
C[C@H](CNC(=O)CN1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200370	0	56	0.0	-68.98	443.86	-0.49	-69.47
C[C@H](CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200390	0	48	0.0	-68.15	400.26	0.53	-67.62
CC(CC[NH+](C)C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200398	0	50	0.0	-68.77	410.58	0.68	-68.09
C[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200424	0	52	0.0	-65.40	421.31	-1.81	-67.21
C[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200424	1	52	0.0	-65.76	421.53	-1.99	-67.75
C#CC[N@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200433	1	50	0.0	-64.29	408.36	1.42	-62.87
C#CC[N@@H+]1CCCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200433	1	50	0.0	-64.20	408.40	1.43	-62.77
C[C@H](CNC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200437	1	50	0.0	-68.58	409.94	-1.67	-70.25
CC[NH+]1CCN(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025200447	0	53	0.0	-67.19	427.29	-1.02	-68.21
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C	REAL300025200624	0	45	0.0	-65.67	376.82	-0.11	-65.78
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C	REAL300025200624	1	45	0.0	-68.05	370.59	-0.62	-68.67
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+](C)CCO1	REAL300025200650	1	46	0.0	-69.49	380.78	-0.89	-70.38
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+](C)CCO1	REAL300025200650	1	46	0.0	-75.42	387.89	-0.72	-76.14
CC1=[NH+]C=CN1CCCC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025200813	1	49	0.0	-66.28	421.50	1.71	-64.57
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300025200821	0	51	0.0	-74.58	428.67	2.31	-72.27
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1CCOCC1	REAL300025200822	1	49	0.0	-72.29	405.80	-1.19	-73.48
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[NH+]1CCC2	REAL300025200854	0	49	0.0	-67.61	395.19	0.80	-66.81
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300025200869	1	43	0.0	-71.57	380.97	2.32	-69.25
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300025200935	0	54	0.0	-64.94	422.83	1.49	-63.45
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@H+](C)C1	REAL300025200938	0	48	0.0	-70.45	396.38	0.40	-70.05
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC[N@@H+](C)C1	REAL300025200938	1	48	0.0	-70.01	397.07	0.42	-69.59
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300025200950	0	47	0.0	-72.49	401.25	-0.38	-72.87
CCC(C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025200955	0	47	0.0	-65.65	380.94	-0.18	-65.83
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300025201005	0	55	0.0	-65.83	438.45	2.15	-63.68
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300025201005	1	55	0.0	-61.83	432.64	2.38	-59.45
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCCC[NH+](C)C	REAL300025201032	0	50	0.0	-70.38	415.90	0.93	-69.45
CC(C)C(C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025201054	0	50	0.0	-66.82	396.91	1.05	-65.77
CCC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025201056	0	50	0.0	-70.23	412.13	0.77	-69.46
CCC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025201056	1	50	0.0	-70.35	412.13	0.76	-69.59
CCC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025201062	0	47	0.0	-68.87	389.76	0.22	-68.65
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C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1C[NH+]2CCC1CC2	REAL300025204827	0	50	0.0	-66.15	406.67	1.21	-64.94
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCCC1	REAL300025204875	0	51	0.0	-70.97	400.29	0.98	-69.99
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300025204887	0	52	0.0	-67.17	420.78	-1.92	-69.09
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300025204887	1	52	0.0	-66.83	421.54	-1.99	-68.82
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C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+](C2CCOCC2)C1	REAL300025204897	0	53	0.0	-73.58	433.79	-0.24	-73.82
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+]2CCCC2)CCC1	REAL300025204899	0	52	0.0	-67.02	410.44	1.49	-65.53
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025204913	0	45	0.0	-66.90	370.53	-0.64	-67.54
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300025204913	1	45	0.0	-65.47	376.44	-0.15	-65.62
CC[N@@H+]1CCOCC1CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025204952	0	52	0.0	-71.03	418.33	-0.71	-71.74
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+](C2CCCCC2)C1	REAL300025204977	0	55	0.0	-71.08	442.85	2.18	-68.90
COC1C[N@@H+]2CCCC2(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025204993	0	53	0.0	-68.29	428.54	-0.24	-68.53
COC1C[N@H+]2CCCC2(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025204993	1	53	0.0	-68.29	428.54	-0.24	-68.53
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2NC(N)=NC2=C1	REAL300025205059	0	45	0.0	-67.23	394.68	0.08	-67.15
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300025205059	1	45	0.0	-67.23	394.68	0.08	-67.15
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025205106	0	48	0.0	-69.75	400.07	0.54	-69.21
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CCCC1	REAL300025205119	0	57	0.0	-74.29	451.68	2.42	-71.87
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1C(C)CCCC1C	REAL300025205121	0	57	0.0	-66.50	441.12	1.91	-64.59
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC([NH+](C)C)CC1	REAL300025205124	0	54	0.0	-71.66	429.36	1.63	-70.03
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300025205125	0	51	0.0	-72.43	426.21	1.36	-71.07
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300025205127	0	54	0.0	-63.27	422.82	1.52	-61.75
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@@H+]1C	REAL300025205128	0	49	0.0	-64.20	396.71	0.80	-63.40
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@H+]1C	REAL300025205128	1	49	0.0	-71.24	401.75	0.87	-70.37
CC(C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025206155	1	45	0.0	-66.99	380.54	-0.26	-67.25
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C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025206245	0	48	0.0	-65.99	392.51	0.42	-65.57
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300025206245	1	48	0.0	-66.33	383.18	0.25	-66.08
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300025206262	0	51	0.0	-69.71	403.31	-2.23	-71.94
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CC2C	REAL300025206262	1	51	0.0	-69.45	403.30	-2.22	-71.67
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC(O)C[NH+](C)C	REAL300025206289	0	48	0.0	-72.74	403.13	-2.18	-74.92
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCC(C1)[NH+]2C	REAL300025206292	0	52	0.0	-66.93	385.75	0.96	-65.97
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C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300025206345	1	52	0.0	-65.79	417.82	1.53	-64.26
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CC[NH+](C)CC1	REAL300025206359	0	51	0.0	-68.49	407.78	0.88	-67.61
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1(O)CC[NH+](C)CC1	REAL300025206363	0	52	0.0	-70.65	421.07	-0.88	-71.53
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC2CCC(C1)[NH+]2C	REAL300025206386	0	55	0.0	-69.70	416.23	1.26	-68.44
C[C@H](CNC(=O)CSC(N)=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206400	0	39	0.0	-67.78	358.45	-4.24	-72.02
CC[N@@H+]1CCOCC1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206444	0	52	0.0	-69.48	418.34	-0.71	-70.19
C[C@H](CNC(=O)C1(CC[NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206462	0	57	0.0	-65.86	445.55	2.49	-63.37
C[C@H](CNC(=O)CC[NH+]1C(C)CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206464	0	57	0.0	-64.91	441.12	1.90	-63.01
C[C@H](CNC(=O)C1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206467	0	54	0.0	-65.31	422.82	1.47	-63.84
C[C@H](CNC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206468	0	51	0.0	-68.65	424.46	1.37	-67.28
C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206470	0	54	0.0	-65.29	422.83	1.47	-63.82
C[C@H](CNC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206471	0	49	0.0	-69.23	401.75	0.86	-68.37
C[C@H](CNC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206471	1	49	0.0	-69.23	401.75	0.86	-68.37
C[C@H](CNC(=O)[C@@H](C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206496	0	51	0.0	-66.86	426.18	0.55	-66.31
C[C@H](CNC(=O)C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206528	0	52	0.0	-63.57	393.46	1.35	-62.22
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCSCC1	REAL300025206664	1	49	0.0	-67.65	405.91	0.65	-67.00
CCC1C[NH+](CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025206666	1	48	0.0	-67.78	403.19	0.65	-67.13
C[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206668	0	53	0.0	-71.29	434.24	-0.24	-71.53
C[C@H](CNC(=O)C1([NH+]2CCCC2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206670	0	52	0.0	-63.44	412.42	1.32	-62.12
C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206679	1	45	0.0	-64.39	376.33	-0.17	-64.56
C[C@H](CNC(=O)CC[N@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206688	1	48	0.0	-70.63	405.13	0.61	-70.02
COC1C[N@@H+](C)C(C)(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025206696	1	52	0.0	-66.34	420.94	-0.74	-67.08
C[C@H](CNC(=O)CC[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206709	0	54	0.0	-69.11	424.55	1.43	-67.68
C[C@H](CNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206711	0	48	0.0	-66.50	392.64	0.70	-65.80
C[C@H](CNC(=O)C1CC[N@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206721	0	48	0.0	-65.94	391.70	0.02	-65.92
C[C@H](CNC(=O)C1CC[N@@H+](C)C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206721	1	48	0.0	-69.25	387.27	-0.18	-69.43
C[C@H](CNC(=O)CCC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206723	0	54	0.0	-68.27	424.49	1.54	-66.73
C[C@H](CNC(=O)CCC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206723	1	54	0.0	-66.98	431.61	1.72	-65.26
C[C@H](CNC(=O)C1CC[N@@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206756	0	50	0.0	-65.51	405.63	-0.87	-66.38
C[C@H](CNC(=O)C1CC[N@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206756	1	50	0.0	-65.72	405.76	-0.88	-66.60
CC1=[NH+]C=C2C=CC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300025206761	0	46	0.0	-63.94	402.13	2.07	-61.87
C[C@H](CNC(=O)CC1COCCN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206780	0	49	0.0	-71.87	401.14	-1.38	-73.25
C[C@H](CNC(=O)CC1COCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206780	1	49	0.0	-65.24	393.67	-1.52	-66.76
C[C@H](CNC(=O)CC1COCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206780	1	49	0.0	-71.87	401.14	-1.38	-73.25
CC1=C(C)[NH+]=C(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025206789	1	49	0.0	-62.69	420.77	0.09	-62.60
CCOCC(N=[N+]=[N-])C(=O)NC[C@@H](C)NC(=O)CSC1=NC(=O)NN1	REAL300025206795	0	45	0.0	-22.44	402.49	-4.73	-27.17
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025206803	0	57	0.0	-62.56	445.46	2.70	-59.86
CC(C)C[N@H+]1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025206803	1	57	0.0	-62.44	445.46	2.70	-59.74
C[C@H](CNC(=O)C1=CC=NN1CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206844	0	51	0.0	-68.34	430.71	0.24	-68.10
C[C@H](CNC(=O)C1(C2CC[NH+](C)CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206887	0	55	0.0	-65.25	438.81	2.48	-62.77
CC1=C2C=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300025206895	1	46	0.0	-67.62	402.88	2.87	-64.75
C[C@H](CNC(=O)CSCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206905	0	48	0.0	-71.98	417.43	0.75	-71.23
C[C@H](CNC(=O)C1CC2COCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206915	0	50	0.0	-68.26	409.34	-0.88	-69.14
C[C@H](CNC(=O)C1CC2COCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206915	1	50	0.0	-66.67	408.99	-0.84	-67.51
C[N@H+]1CCCC1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207080	1	52	0.0	-62.75	413.18	2.56	-60.19
CN1CCOC(C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207104	0	53	0.0	-72.28	424.90	2.06	-70.22
C[N@@H+]1CCOC(C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207104	1	53	0.0	-67.24	417.71	1.89	-65.35
C[N@H+]1CCOC(C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207104	1	53	0.0	-72.28	424.90	2.06	-70.22
CC1=[NH+]C=CN1CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207243	1	50	0.0	-63.60	415.89	3.19	-60.41
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025207261	0	55	0.0	-66.82	425.00	2.82	-64.00
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025207261	1	55	0.0	-66.96	430.32	2.86	-64.10
C[NH+](C)C1(C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025207281	0	55	0.0	-62.58	421.57	3.07	-59.51
CC(C)[C@@H](C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025207283	0	57	0.0	-63.71	435.26	3.32	-60.39
C[N@H+](CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025207292	0	55	0.0	-63.88	433.59	3.58	-60.30
C[N@@H+](CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025207292	1	55	0.0	-63.97	433.73	3.60	-60.37
C[NH+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025207316	0	55	0.0	-69.43	432.02	3.27	-66.16
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207322	0	55	0.0	-62.64	429.43	3.20	-59.44
C[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207322	1	55	0.0	-63.14	429.44	3.20	-59.94
CC1=C[NH+]=CN1CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207339	1	50	0.0	-65.87	417.26	3.95	-61.92
C[N@@H+]1CCC(CC(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207349	0	55	0.0	-68.89	434.27	3.16	-65.73
C[N@H+]1CCC(CC(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207349	1	55	0.0	-69.21	433.81	3.20	-66.01
CCC(C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025207352	0	54	0.0	-64.26	421.23	3.21	-61.05
C[NH+](C)CCCCC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207366	0	57	0.0	-69.70	452.84	3.74	-65.96
CC(C)C(C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025207369	0	57	0.0	-64.49	436.49	3.85	-60.64
CCC[N@H+](C)CCC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207370	0	57	0.0	-67.97	449.06	3.56	-64.41
CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207370	1	57	0.0	-68.06	449.05	3.57	-64.49
CCC[N@H+](C)CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207371	0	54	0.0	-65.79	426.71	3.01	-62.78
CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207371	1	54	0.0	-65.78	426.71	3.02	-62.76
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207386	0	52	0.0	-64.92	407.44	2.15	-62.77
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207386	1	52	0.0	-63.25	412.45	2.66	-60.59
CC[NH+](CC)CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207398	0	54	0.0	-64.06	423.56	2.97	-61.09
C[NH+](C)CC1(C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025207452	0	55	0.0	-65.84	439.99	3.36	-62.48
C[NH+]1CCC(C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025207474	0	55	0.0	-69.43	432.02	3.27	-66.16
CC(C)[C@H](C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025207489	0	57	0.0	-63.94	434.22	3.48	-60.46
CC[N@H+](C)CCC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207516	0	54	0.0	-67.37	427.57	2.81	-64.56
CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207516	1	54	0.0	-67.34	427.56	2.83	-64.51
CC1CCC[N@@H+]1CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207526	0	55	0.0	-62.55	426.15	2.97	-59.58
CC1CCC[N@H+]1CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207526	1	55	0.0	-62.59	426.09	2.96	-59.63
CC1CC[N@H+](CC(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207527	0	55	0.0	-64.69	432.79	3.27	-61.42
CC1CC[N@@H+](CC(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207527	1	55	0.0	-64.90	433.15	3.33	-61.57
CC[C@@H](C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025207529	0	54	0.0	-63.45	418.13	2.61	-60.84
C[NH+](C)CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207565	0	48	0.0	-66.39	387.50	1.60	-64.79
CN1C=C[N+](CC(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025207566	0	50	0.0	-64.47	418.72	5.12	-59.35
C[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207569	0	55	0.0	-67.15	432.05	3.22	-63.93
C[N@H+]1CCCC(C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207569	1	55	0.0	-66.99	432.13	3.23	-63.76
CC(C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025207576	1	52	0.0	-63.70	417.80	2.61	-61.09
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207579	0	57	0.0	-64.32	436.62	3.47	-60.85
C[N@H+](CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025207586	0	52	0.0	-63.59	416.91	3.01	-60.58
C[N@@H+](CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025207586	1	52	0.0	-63.53	416.89	3.01	-60.52
C[NH+]1CC(CC(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207597	0	52	0.0	-67.98	418.91	2.43	-65.55
C[C@@H](C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025207609	0	51	0.0	-64.29	405.37	2.02	-62.27
[N-]=[N+]=NCC(=O)NC[C@H]1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025207616	0	42	0.0	-22.24	364.44	-2.80	-25.04
C[C@@H](C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025207647	0	51	0.0	-64.29	405.37	2.02	-62.27
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207650	0	55	0.0	-63.95	420.16	3.04	-60.91
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207650	1	55	0.0	-63.15	429.47	3.19	-59.96
O=C(C[NH+]1CCC1)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207677	1	49	0.0	-65.78	397.80	2.13	-63.65
C[N@@H+]1CCC(=CC(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207686	0	53	0.0	-70.77	426.37	3.14	-67.63
C[N@H+]1CCC(=CC(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207686	1	53	0.0	-70.89	426.34	3.14	-67.75
C[C@H](C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025207704	0	51	0.0	-64.62	405.64	2.01	-62.61
CC1C[NH+](CC(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207720	1	52	0.0	-66.03	417.59	2.76	-63.27
C[N@H+](CCO)CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207733	1	52	0.0	-66.12	415.57	-0.96	-67.08
C[N@@H+](CCO)CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207733	1	52	0.0	-65.96	415.37	-0.95	-66.91
CC(CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025207745	0	57	0.0	-68.81	444.67	3.61	-65.20
CC[N@H+](C)CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207747	0	51	0.0	-65.39	405.22	2.28	-63.11
CC[N@@H+](C)CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207747	1	51	0.0	-65.38	405.22	2.28	-63.10
CC[N@H+](CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025207757	0	55	0.0	-62.60	436.69	3.67	-58.93
CC[N@@H+](CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025207757	1	55	0.0	-63.85	428.85	3.52	-60.33
CC[NH+](CC)CCC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207763	0	57	0.0	-66.39	445.41	3.53	-62.86
CC1(C)C[NH+](CC(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207771	1	55	0.0	-65.61	437.90	3.18	-62.43
C[NH+](C)CC=CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207778	0	52	0.0	-70.51	423.44	2.81	-67.70
CC(CCC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025207795	0	57	0.0	-67.38	444.75	3.36	-64.02
CC[N@@H+]1CCC1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207799	1	52	0.0	-63.70	412.33	2.32	-61.38
CC[N@H+]1CCC1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207799	1	52	0.0	-64.43	419.16	2.63	-61.80
C=CCC(C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025207820	0	55	0.0	-64.78	431.19	3.12	-61.66
O=C(C[NH+]1CC2CC2C1)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207828	0	53	0.0	-65.18	423.43	3.49	-61.69
CCCC(C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025207833	0	57	0.0	-65.09	442.51	3.56	-61.53
C[NH+](C)C(C)(C)C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207835	0	54	0.0	-64.56	415.15	2.67	-61.89
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207845	0	55	0.0	-62.64	429.43	3.20	-59.44
C[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207845	1	55	0.0	-63.14	429.44	3.20	-59.94
C[NH+](C)C1(C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025207881	0	52	0.0	-66.18	411.27	2.62	-63.56
O=C(CC[NH+]1CCCC1)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207882	0	55	0.0	-66.92	434.77	3.26	-63.66
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025207892	0	53	0.0	-64.92	418.42	2.76	-62.16
C[N@H+]1CC2CC1(C(=O)NC[C@H]1CCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025207892	1	53	0.0	-64.17	417.56	2.97	-61.20
CC(C[NH+](C)C)C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207927	0	54	0.0	-63.37	425.65	2.96	-60.41
CC(C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025207947	1	55	0.0	-63.34	435.02	3.31	-60.03
CC1CC[N@@H+]1CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207948	1	52	0.0	-63.81	413.25	2.42	-61.39
CC1CC[N@H+]1CC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207948	1	52	0.0	-63.75	413.22	2.41	-61.34
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025207979	0	55	0.0	-67.95	437.17	3.31	-64.64
CC(CC[NH+](C)C)C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025207980	0	57	0.0	-68.69	447.50	3.49	-65.20
C[N@@H+]1CCCC1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208149	0	52	0.0	-70.71	412.16	2.39	-68.32
C[N@H+]1CCCC1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208149	1	52	0.0	-72.19	405.82	2.05	-70.14
C[N@@H+]1CCOC(C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025208175	1	53	0.0	-77.04	413.16	1.59	-75.45
C[N@H+]1CCOC(C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025208175	1	53	0.0	-76.76	412.32	1.57	-75.19
C[N@@H+]1CCC(CC(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025208325	0	55	0.0	-75.99	434.22	3.14	-72.85
C[N@H+]1CCC(CC(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025208325	1	55	0.0	-75.80	433.72	3.17	-72.63
CCC(C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025208328	0	54	0.0	-69.53	411.60	2.33	-67.20
C[NH+](C)CCCCC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208338	0	57	0.0	-76.61	452.64	3.70	-72.91
CC(C)C(C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025208341	0	57	0.0	-71.84	430.05	3.06	-68.78
CCC[N@H+](C)CCC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208342	0	57	0.0	-76.51	448.88	3.52	-72.99
CCC[N@@H+](C)CCC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208342	1	57	0.0	-76.51	448.87	3.52	-72.99
CCC[N@H+](C)CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208343	0	54	0.0	-73.61	426.46	2.92	-70.69
CCC[N@@H+](C)CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208343	1	54	0.0	-73.60	426.46	2.92	-70.68
C[NH+](C)CC1(C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025208382	0	55	0.0	-74.93	434.86	3.06	-71.87
CC[N@H+](C)CCC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208388	0	54	0.0	-75.64	427.37	2.78	-72.86
CC[N@@H+](C)CCC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208388	1	54	0.0	-75.64	427.37	2.78	-72.86
C[NH+]1CCC(C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025208410	0	55	0.0	-74.68	431.25	3.09	-71.59
CC(C)[C@H](C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025208425	0	57	0.0	-71.93	430.98	3.26	-68.67
C[NH+](C)C1(C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025208447	0	55	0.0	-75.30	414.64	2.49	-72.81
CC1CCC[N@@H+]1CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208471	0	55	0.0	-69.99	425.92	2.89	-67.10
CC1CCC[N@H+]1CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208471	1	55	0.0	-69.80	425.94	2.88	-66.92
CC(C)[C@@H](C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025208482	0	57	0.0	-71.96	426.37	3.01	-68.95
CC1CC[N@H+](CC(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025208490	0	55	0.0	-72.42	433.40	3.16	-69.26
CC1CC[N@@H+](CC(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025208490	1	55	0.0	-72.56	432.65	3.20	-69.36
CC[C@@H](C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025208492	0	54	0.0	-69.55	412.18	2.33	-67.22
CC1=[NH+]C=CN1CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208529	1	50	0.0	-68.97	415.91	3.08	-65.89
CC1=C[NH+]=CN1CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208547	1	50	0.0	-71.55	416.20	3.81	-67.74
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025208548	0	55	0.0	-78.10	422.95	2.49	-75.61
C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025208548	1	55	0.0	-74.75	427.50	3.04	-71.71
C[N@H+](CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025208578	0	55	0.0	-71.13	433.33	3.49	-67.64
C[N@@H+](CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025208578	1	55	0.0	-71.54	433.50	3.50	-68.04
C[NH+]1CCC(C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025208584	0	55	0.0	-74.68	431.25	3.09	-71.59
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208597	0	52	0.0	-71.71	405.63	2.07	-69.64
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208597	1	52	0.0	-70.24	408.75	2.29	-67.95
C[N@@H+]1CCCCC1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208640	0	55	0.0	-70.88	416.64	2.62	-68.26
C[N@H+]1CCCCC1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208640	1	55	0.0	-69.35	426.58	3.04	-66.31
CC1C(C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025208669	0	55	0.0	-74.80	423.72	2.49	-72.31
CC1C(C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025208669	1	55	0.0	-74.99	427.36	3.26	-71.73
C[C@@H](C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025208710	0	51	0.0	-71.61	403.24	1.87	-69.74
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300025208728	0	55	0.0	-75.19	435.60	3.29	-71.90
C[N@H+](CCO)CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208733	1	52	0.0	-74.19	415.32	-1.06	-75.25
C[N@@H+](CCO)CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208733	1	52	0.0	-73.93	415.09	-1.06	-74.99
CC1C[NH+](CC(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025208776	1	52	0.0	-74.25	417.42	2.67	-71.58
CC[N@H+](C)CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208808	0	51	0.0	-73.21	404.96	2.18	-71.03
CC[N@@H+](C)CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208808	1	51	0.0	-73.26	405.00	2.19	-71.07
CC(CCC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025208861	0	57	0.0	-78.62	440.92	3.29	-75.33
CC[N@H+](CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025208866	0	55	0.0	-69.95	436.37	3.57	-66.38
CC[N@@H+](CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025208866	1	55	0.0	-69.59	432.13	3.26	-66.33
C[N@@H+]1CC2CC1(C(=O)N1CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025208879	0	53	0.0	-71.04	414.04	2.56	-68.48
C[N@H+]1CC2CC1(C(=O)N1CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025208879	1	53	0.0	-74.85	414.12	2.47	-72.38
CC(C[NH+](C)C)C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208888	0	54	0.0	-75.86	425.76	2.65	-73.21
C[NH+](C)C1(C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025208894	0	52	0.0	-75.41	409.38	1.98	-73.43
C[C@H](C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025208904	0	51	0.0	-71.51	403.44	1.88	-69.63
CC[N@@H+]1CCC1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208907	1	52	0.0	-71.59	408.85	2.07	-69.52
CC[N@H+]1CCC1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208907	1	52	0.0	-70.72	410.42	2.14	-68.58
NC1=CC=[NH+]C=C1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208918	0	48	0.0	-74.49	398.37	-0.58	-75.07
CCCC(C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025208922	0	57	0.0	-72.35	439.42	3.32	-69.03
C[NH+](C)C(C)(C)C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208925	0	54	0.0	-71.22	408.27	2.21	-69.01
CC(CC[NH+](C)C)C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025208934	0	57	0.0	-76.32	447.32	3.28	-73.04
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025208993	0	53	0.0	-73.64	422.73	3.40	-70.24
C[N@@H+]1CCCCC1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209001	0	55	0.0	-70.88	416.64	2.62	-68.26
C[N@H+]1CCCCC1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209001	1	55	0.0	-69.35	426.58	3.04	-66.31
C[N@@H+]1CCC(=CC(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025209026	0	53	0.0	-76.35	424.41	3.09	-73.26
C[N@H+]1CCC(=CC(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025209026	1	53	0.0	-76.13	425.22	3.06	-73.07
[N-]=[N+]=NCC(=O)N1CCC[C@H](CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025209033	0	42	0.0	-23.64	364.46	-2.90	-26.54
CCC1C[NH+](CC(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025209049	0	55	0.0	-74.68	439.93	3.37	-71.31
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209054	0	52	0.0	-68.10	413.01	2.46	-65.64
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209054	1	52	0.0	-71.70	405.89	2.04	-69.66
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025209094	0	55	0.0	-74.79	436.18	3.24	-71.55
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN(C(=O)C[NH+]2CCCCC2)C1	REAL300025209135	0	55	0.0	-73.14	429.02	3.38	-69.76
C[N@@H+]1CCCC(C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025209136	0	55	0.0	-65.34	422.35	3.13	-62.21
C[N@H+]1CCCC(C(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025209136	1	55	0.0	-72.00	430.38	2.99	-69.01
CN1C=C[N+](CC(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025209137	0	50	0.0	-69.88	418.66	5.00	-64.88
C[N@H+](CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025209147	0	52	0.0	-70.39	416.60	2.91	-67.48
C[N@@H+](CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025209147	1	52	0.0	-71.01	416.72	2.92	-68.09
CC(CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025209155	0	57	0.0	-75.83	444.34	3.58	-72.25
C[NH+]1CC(CC(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025209204	0	52	0.0	-74.90	418.71	2.38	-72.52
C[NH+](C)CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209211	0	48	0.0	-73.95	387.29	1.51	-72.44
C[C@@H](C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025209219	0	51	0.0	-71.61	403.24	1.87	-69.74
CC(C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025209233	0	55	0.0	-71.61	435.11	3.08	-68.53
CC1CC[N@@H+]1CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209234	1	52	0.0	-71.37	413.00	2.34	-69.03
CC1CC[N@H+]1CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209234	1	52	0.0	-71.29	413.04	2.31	-68.98
C[NH+](C)CC=CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209236	0	52	0.0	-77.47	422.38	2.74	-74.73
CC1(C)C[NH+](CC(=O)N2CCC[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025209240	1	55	0.0	-73.90	437.85	3.12	-70.78
CC[NH+](CC)CC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209253	0	54	0.0	-71.71	418.81	2.58	-69.13
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300025209258	1	49	0.0	-73.78	397.41	1.93	-71.85
CC[NH+](CC)CCC(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209276	0	57	0.0	-74.72	445.22	3.48	-71.24
CC(C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025209304	1	52	0.0	-71.49	414.22	2.33	-69.16
C[NH+](C)CC(C)(C)C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209308	0	57	0.0	-74.25	428.29	2.66	-71.59
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209328	0	55	0.0	-70.87	416.64	2.55	-68.32
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209328	1	55	0.0	-69.37	426.57	3.04	-66.33
C=CCC(C(=O)N1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025209347	0	55	0.0	-69.41	428.81	2.94	-66.47
NC(=[NH2+])SCC(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209370	0	46	0.0	-67.17	396.01	-1.52	-68.69
CCC1C[NH+](CC(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025209425	1	55	0.0	-66.39	440.13	3.46	-62.93
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209429	0	52	0.0	-63.29	413.38	2.60	-60.69
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209429	1	52	0.0	-64.37	407.43	2.15	-62.22
O=C(C[NH+]1CCCCC1)NC[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209436	0	55	0.0	-64.97	429.57	3.49	-61.48
CC1C(C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025209440	0	55	0.0	-65.02	428.64	2.83	-62.19
CC1C(C(=O)NC[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025209440	1	55	0.0	-67.44	425.20	2.80	-64.64
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300025209645	0	46	0.0	-69.58	374.33	2.00	-67.58
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+]2C)C1	REAL300025209645	1	46	0.0	-72.17	369.93	1.54	-70.63
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300025209669	1	47	0.0	-77.70	378.38	2.01	-75.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300025209669	1	47	0.0	-74.83	377.73	2.04	-72.79
CC(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300025209825	0	55	0.0	-68.45	419.83	4.22	-64.23
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209827	0	55	0.0	-66.59	413.85	3.40	-63.19
CC(C)[N@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209827	1	55	0.0	-66.57	415.21	3.35	-63.22
CC(C)[N@@H+]1CCCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209847	0	52	0.0	-70.49	386.75	3.56	-66.93
CC(C)[N@H+]1CCCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209847	1	52	0.0	-68.45	401.97	3.56	-64.89
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300025209863	0	53	0.0	-76.04	417.29	4.51	-71.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300025209863	1	53	0.0	-70.92	417.28	3.76	-67.16
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209881	1	50	0.0	-68.00	416.45	3.78	-64.22
CC1=[NH+]C=CN1CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209906	1	44	0.0	-68.88	379.73	3.45	-65.43
CC(C[NH+]1CCOCC1)C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025209907	0	53	0.0	-73.44	423.01	1.65	-71.79
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300025209922	0	55	0.0	-74.62	436.19	4.19	-70.43
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C1	REAL300025209936	0	55	0.0	-72.41	415.49	3.92	-68.49
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300025209944	0	50	0.0	-80.47	390.72	2.75	-77.72
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300025209979	0	53	0.0	-66.72	417.66	3.80	-62.92
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300025209979	1	53	0.0	-68.36	404.14	4.09	-64.27
C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025209989	0	49	0.0	-75.96	387.19	2.00	-73.96
C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025209989	1	49	0.0	-72.95	392.48	2.63	-70.32
CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025209993	0	52	0.0	-74.03	403.49	2.58	-71.45
CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025209993	1	52	0.0	-75.13	412.67	2.91	-72.22
CC[N@@H+]1CCOC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025210002	1	50	0.0	-80.21	395.52	2.58	-77.63
CC[N@H+]1CCOC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025210002	1	50	0.0	-77.63	396.43	1.84	-75.79
CC[NH+](CC)CC(F)C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210041	0	51	0.0	-74.78	409.38	2.65	-72.13
CC1CCC(C)[NH+]1CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210100	0	52	0.0	-68.23	407.53	2.91	-65.32
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300025210106	0	52	0.0	-74.38	418.92	3.39	-70.99
C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025210110	0	51	0.0	-78.07	409.85	4.27	-73.80
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300025210111	0	52	0.0	-74.10	414.69	3.39	-70.71
CC[N@@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210115	0	52	0.0	-69.34	396.93	2.82	-66.52
CC[N@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210115	1	52	0.0	-67.23	409.88	3.16	-64.07
CC(C)C[N@@H+]1CCC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025210127	0	55	0.0	-69.42	434.67	4.84	-64.58
CC(C)C[N@H+]1CCC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025210127	1	55	0.0	-72.82	434.02	4.78	-68.04
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300025210130	0	49	0.0	-75.87	380.91	2.29	-73.58
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210132	0	55	0.0	-64.86	421.63	3.23	-61.63
CC(C)[N@H+]1CCCC1CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210132	1	55	0.0	-67.27	421.31	3.16	-64.11
CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025210143	0	51	0.0	-70.28	395.83	2.88	-67.40
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300025210180	0	49	0.0	-70.50	396.84	2.94	-67.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300025210180	1	49	0.0	-70.04	396.89	3.03	-67.01
CC(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300025210224	0	55	0.0	-70.25	415.43	4.25	-66.00
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210275	1	48	0.0	-70.37	396.45	2.66	-67.71
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210275	1	48	0.0	-70.11	402.24	3.28	-66.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300025210280	0	52	0.0	-72.63	412.73	3.09	-69.54
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300025210280	1	52	0.0	-75.15	417.59	3.58	-71.57
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300025210287	0	53	0.0	-74.19	400.83	2.80	-71.39
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300025210290	0	53	0.0	-67.08	416.50	3.89	-63.19
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300025210290	1	53	0.0	-68.86	411.25	3.52	-65.34
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300025210305	0	55	0.0	-74.97	442.01	4.28	-70.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025210316	0	49	0.0	-78.58	392.79	2.49	-76.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300025210345	1	48	0.0	-80.95	406.84	2.06	-78.89
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025210369	0	49	0.0	-69.34	380.06	3.13	-66.21
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025210369	1	49	0.0	-69.76	380.73	3.03	-66.73
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210388	0	55	0.0	-69.63	423.63	4.28	-65.35
CC(C)C[N@H+]1CCCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210388	1	55	0.0	-69.18	422.99	4.38	-64.80
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300025210473	0	44	0.0	-74.80	376.49	4.11	-70.69
CC1=[NH+]C=CN1CCCC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210479	1	50	0.0	-71.42	421.77	3.97	-67.45
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300025210483	1	50	0.0	-77.52	405.96	0.97	-76.55
CC1=C[NH+]=CN1CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210508	1	44	0.0	-72.82	380.45	3.29	-69.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300025210540	0	50	0.0	-68.15	391.17	2.64	-65.51
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC([NH+](C)C)C2)C1	REAL300025210560	0	55	0.0	-71.92	426.78	4.47	-67.45
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300025210562	0	49	0.0	-75.86	396.98	2.55	-73.31
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300025210562	1	49	0.0	-75.69	397.59	2.61	-73.08
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210573	0	48	0.0	-81.44	399.59	1.16	-80.28
CCC(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025210578	0	48	0.0	-69.20	381.05	1.91	-67.29
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2([NH+](C)C)CCCC2)C1	REAL300025210588	0	55	0.0	-76.17	414.53	3.38	-72.79
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300025210622	1	44	0.0	-79.57	376.79	4.11	-75.46
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCCC[NH+](C)C)C1	REAL300025210667	0	51	0.0	-76.31	416.05	3.09	-73.22
CC(C)C(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025210685	0	51	0.0	-68.87	395.71	2.68	-66.19
CCC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210687	0	51	0.0	-75.63	412.28	2.93	-72.70
CCC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210687	1	51	0.0	-75.52	412.28	2.93	-72.59
CCC[N@H+](C)CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210692	0	48	0.0	-72.65	389.56	3.26	-69.39
CCC[N@@H+](C)CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210692	1	48	0.0	-72.74	389.56	3.25	-69.49
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025210712	0	50	0.0	-74.51	387.57	1.91	-72.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025210712	1	50	0.0	-73.07	383.34	2.78	-70.29
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300025210744	0	46	0.0	-69.77	374.51	2.00	-67.77
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300025210744	1	46	0.0	-72.28	369.92	1.55	-70.73
CCCCCC[N@H+](C)CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210791	0	57	0.0	-73.87	454.04	5.59	-68.28
CCCCCC[N@@H+](C)CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210791	1	57	0.0	-73.56	454.52	4.80	-68.76
CC[NH+](CC)C(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300025210794	0	57	0.0	-65.52	434.03	3.81	-61.71
CC[NH+](CC)CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025210802	0	48	0.0	-70.86	382.14	2.02	-68.84
CCC[N@@H+]1CCCC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025210833	0	55	0.0	-72.25	431.68	4.66	-67.59
CCC[N@H+]1CCCC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025210833	1	55	0.0	-67.68	425.79	3.95	-63.73
CC(C)[N@@H+]1CCOC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025210847	0	53	0.0	-69.70	411.01	2.35	-67.35
CC(C)[N@H+]1CCOC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025210847	1	53	0.0	-81.53	420.39	2.48	-79.05
CC1CC[NH+](CC(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025210874	0	52	0.0	-72.39	413.37	3.53	-68.86
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300025210897	0	53	0.0	-79.92	430.72	3.20	-76.72
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300025210907	0	49	0.0	-73.85	402.95	2.78	-71.07
CC(C)[NH+]1CCC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025210970	0	55	0.0	-74.44	418.99	4.26	-70.18
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025210986	0	49	0.0	-78.58	392.79	2.49	-76.09
CC(C)[C@H](C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025211004	0	51	0.0	-70.55	397.09	3.88	-66.67
CCC(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025211034	0	54	0.0	-71.00	411.96	3.43	-67.57
CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211084	0	48	0.0	-74.88	390.78	2.18	-72.70
CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211084	1	48	0.0	-74.76	390.78	2.18	-72.58
CC1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211133	0	49	0.0	-69.08	388.93	3.21	-65.87
CC1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211133	1	49	0.0	-68.99	389.00	3.21	-65.78
CC1CC[N@H+](CC(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025211135	0	49	0.0	-71.53	396.91	2.79	-68.74
CC1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025211135	1	49	0.0	-71.46	396.03	2.63	-68.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300025211139	0	52	0.0	-71.93	416.22	3.20	-68.73
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300025211139	1	52	0.0	-71.49	415.53	3.18	-68.31
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300025211140	0	54	0.0	-71.77	420.58	3.60	-68.17
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300025211140	1	54	0.0	-72.23	418.63	3.44	-68.79
CC[C@@H](C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025211148	0	48	0.0	-69.02	380.75	2.02	-67.00
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2(O)CC[NH+](C)CC2)C1	REAL300025211290	0	53	0.0	-74.10	420.54	2.32	-71.78
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+](C)C)C1	REAL300025211301	0	42	0.0	-72.88	350.80	1.05	-71.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300025211305	0	53	0.0	-75.40	424.21	0.22	-75.18
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300025211306	0	52	0.0	-71.59	401.41	3.90	-67.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300025211310	0	44	0.0	-69.96	382.03	4.56	-65.40
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300025211316	0	49	0.0	-74.33	390.72	2.35	-71.98
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300025211316	1	49	0.0	-64.52	385.90	3.42	-61.10
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025211321	0	50	0.0	-67.82	402.39	3.29	-64.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025211321	1	50	0.0	-68.50	388.86	3.34	-65.16
CC(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025211345	1	46	0.0	-72.44	372.82	1.69	-70.75
CCC(CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025211349	0	54	0.0	-75.94	423.51	3.78	-72.16
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300025211356	0	51	0.0	-73.65	394.85	2.26	-71.39
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300025211371	0	51	0.0	-67.71	404.68	3.18	-64.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300025211371	1	51	0.0	-70.96	399.61	3.82	-67.14
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300025211379	1	50	0.0	-76.44	403.62	-0.43	-76.87
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)C2CC2)C1	REAL300025211380	0	46	0.0	-69.68	380.22	2.46	-67.22
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300025211380	1	46	0.0	-69.38	380.08	2.45	-66.93
CC(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300025211381	1	54	0.0	-71.91	418.96	1.44	-70.47
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2C[NH+](C)C2)C1	REAL300025211399	0	46	0.0	-73.80	382.08	1.88	-71.92
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300025211403	0	53	0.0	-69.80	416.70	4.45	-65.35
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300025211403	1	53	0.0	-72.87	421.42	3.81	-69.06
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300025211411	0	52	0.0	-69.79	387.75	3.76	-66.03
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300025211411	1	52	0.0	-69.01	412.30	2.69	-66.32
C[C@@H](C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025211422	0	45	0.0	-70.53	368.20	1.41	-69.12
CN(C(=O)CSC1=NC(=O)NN1)C1CN(C(=O)CN=[N+]=[N-])C1	REAL300025211429	0	36	0.0	-25.62	327.65	-3.45	-29.07
CCC1CCC[N@H+](CC(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025211454	0	55	0.0	-69.87	423.51	4.62	-65.25
CCC1CCC[N@@H+](CC(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025211454	1	55	0.0	-72.90	424.22	4.91	-67.99
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)N2)C1	REAL300025211461	0	50	0.0	-83.89	413.33	2.19	-81.70
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300025211503	0	42	0.0	-68.09	377.86	1.23	-66.86
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[N@H+](C)CCO)C1	REAL300025211513	0	49	0.0	-74.39	401.13	-1.03	-75.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[N@@H+](C)CCO)C1	REAL300025211513	1	49	0.0	-74.49	401.11	-1.06	-75.55
C[C@@H](C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025211514	0	45	0.0	-70.53	368.20	1.41	-69.12
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300025211518	0	49	0.0	-69.80	392.54	2.62	-67.18
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300025211518	1	49	0.0	-70.99	379.56	2.27	-68.72
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211526	0	52	0.0	-75.64	400.09	0.66	-74.98
CC1CN2CC[N@H+]1CC2C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211526	1	52	0.0	-76.08	400.30	-0.20	-76.28
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC2)C1	REAL300025211588	1	43	0.0	-72.73	361.11	1.51	-71.22
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300025211613	0	47	0.0	-75.59	389.09	3.38	-72.21
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300025211613	1	47	0.0	-74.97	388.62	3.49	-71.48
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)COCC[NH+](C)C)C1	REAL300025211644	0	49	0.0	-73.77	406.66	2.16	-71.61
CCCCC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211649	0	57	0.0	-76.68	455.28	4.48	-72.20
CCCCC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211649	1	57	0.0	-76.41	455.28	4.48	-71.93
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CC[C@@H](C[NH+](C)C)O2)C1	REAL300025211658	0	53	0.0	-75.28	429.14	2.90	-72.38
C=CCC(C)(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025211665	0	52	0.0	-77.26	400.02	3.24	-74.02
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(O)CC[S+](C)C)C1	REAL300025211669	0	48	0.0	-81.26	413.47	0.48	-80.78
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300025211694	0	50	0.0	-79.01	391.45	-1.19	-80.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CN(C)CC[N@H+](C)C2)C1	REAL300025211704	0	54	0.0	-73.71	424.11	0.64	-73.07
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1	REAL300025211704	1	54	0.0	-73.71	424.11	0.64	-73.07
CC(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300025211705	0	53	0.0	-71.74	420.96	-0.09	-71.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300025211722	0	53	0.0	-72.68	418.25	1.51	-71.17
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300025211722	1	53	0.0	-72.68	418.25	1.51	-71.17
CC1CN(CC(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025211725	0	46	0.0	-72.53	382.10	2.13	-70.40
CC1C[NH+](CC(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025211725	1	46	0.0	-72.53	382.10	2.13	-70.40
CN(CCO)CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211748	0	46	0.0	-72.67	378.88	-1.52	-74.19
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)CCO)C1	REAL300025211748	1	46	0.0	-72.83	378.19	-0.72	-73.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)CCO)C1	REAL300025211748	1	46	0.0	-72.83	378.19	-0.72	-73.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300025211769	0	52	0.0	-77.11	398.74	0.31	-76.80
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300025211769	1	52	0.0	-77.11	398.74	0.31	-76.80
CC[N@@H+]1CCCC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025211774	0	52	0.0	-75.52	404.04	3.13	-72.39
CC[N@H+]1CCCC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025211774	1	52	0.0	-75.52	404.04	3.13	-72.39
CC(CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025211776	0	51	0.0	-75.46	407.98	3.06	-72.40
CC[N@H+](C)CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211783	0	45	0.0	-72.39	368.06	2.50	-69.89
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300025211802	0	53	0.0	-68.12	403.32	3.23	-64.89
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300025211802	1	53	0.0	-68.12	403.32	3.23	-64.89
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300025211807	0	51	0.0	-66.91	395.31	2.98	-63.93
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300025211807	1	51	0.0	-66.91	395.31	2.98	-63.93
CC[N@H+](CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025211826	0	49	0.0	-70.96	392.04	2.86	-68.10
CC[NH+](CC)CCC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211839	0	51	0.0	-73.43	408.74	2.98	-70.45
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CC(C)(C)C2)C1	REAL300025211859	0	49	0.0	-72.32	401.38	2.66	-69.66
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300025211859	1	49	0.0	-72.32	401.38	2.66	-69.66
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300025211883	0	50	0.0	-71.47	406.28	0.26	-71.21
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=CC[NH+](C)C)C1	REAL300025211890	0	46	0.0	-78.65	387.78	2.19	-76.46
CC(OCC[NH+](C)C)C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211908	0	52	0.0	-74.64	422.44	2.57	-72.07
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCOCC[NH+](C)C)C1	REAL300025211915	0	52	0.0	-74.25	427.51	1.76	-72.49
COCCN(C)CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211916	0	49	0.0	-72.52	400.43	1.67	-70.85
COCC[N@H+](C)CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211916	1	49	0.0	-73.77	400.67	1.67	-72.10
COCC[N@@H+](C)CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211916	1	49	0.0	-73.77	400.67	1.67	-72.10
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300025211943	0	52	0.0	-71.75	392.94	2.75	-69.00
CC(CCC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025211946	0	51	0.0	-76.57	404.44	2.78	-73.79
CCN1CCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211952	0	46	0.0	-70.05	374.99	1.66	-68.39
CC[N@@H+]1CCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211952	1	46	0.0	-71.10	381.60	2.97	-68.13
CC[N@H+]1CCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025211952	1	46	0.0	-71.10	381.60	2.97	-68.13
CC(C)[N@@H+]1CCCC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025211960	0	55	0.0	-66.72	420.98	3.72	-63.00
CC(C)[N@H+]1CCCC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025211960	1	55	0.0	-66.72	420.98	3.72	-63.00
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300025211971	0	50	0.0	-70.80	404.89	-0.47	-71.27
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300025211993	0	53	0.0	-70.92	417.28	3.76	-67.16
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300025211993	1	53	0.0	-70.92	417.28	3.76	-67.16
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300025211999	0	52	0.0	-75.66	401.55	2.57	-73.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(C[NH+](C)C)=CN2)C1	REAL300025212005	0	50	0.0	-75.39	412.03	3.28	-72.11
C=CCC(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025212025	0	49	0.0	-71.75	396.14	2.66	-69.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300025212035	0	52	0.0	-68.63	407.25	3.63	-65.00
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300025212035	1	52	0.0	-68.63	407.25	3.63	-65.00
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCCCC[NH+](C)C)C1	REAL300025212038	0	54	0.0	-75.28	437.66	3.97	-71.31
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025212046	0	47	0.0	-72.08	386.53	2.92	-69.16
CC1C[N@@H+]2CCN1C(C(=O)N1CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025212071	0	52	0.0	-73.18	402.72	0.61	-72.57
CCCC(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025212072	0	51	0.0	-72.64	403.93	2.84	-69.80
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300025212076	0	48	0.0	-73.26	372.11	2.06	-71.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025212110	0	49	0.0	-69.76	380.73	3.03	-66.73
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300025212142	0	50	0.0	-71.07	409.93	3.38	-67.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300025212142	1	50	0.0	-71.07	409.93	3.38	-67.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300025212150	0	53	0.0	-69.78	415.91	3.80	-65.98
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300025212189	1	49	0.0	-81.25	413.26	2.81	-78.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300025212203	0	50	0.0	-77.35	412.85	3.36	-73.99
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300025212222	0	53	0.0	-75.80	417.60	3.69	-72.11
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CC2)C1	REAL300025212240	0	46	0.0	-76.40	376.32	1.95	-74.45
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025212242	0	49	0.0	-74.25	399.01	2.69	-71.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300025212275	0	49	0.0	-81.83	385.50	-0.64	-82.47
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300025212284	0	47	0.0	-73.51	378.79	2.21	-71.30
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300025212284	1	47	0.0	-75.50	378.98	2.27	-73.23
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300025212295	0	50	0.0	-70.20	397.34	3.06	-67.14
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300025212295	1	50	0.0	-69.74	394.63	3.75	-65.99
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300025212332	0	51	0.0	-69.76	406.95	3.43	-66.33
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300025212342	1	48	0.0	-68.66	389.47	2.81	-65.85
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300025212342	1	48	0.0	-68.56	389.78	2.91	-65.65
CC[NH+]1CCN(CC(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025212370	0	54	0.0	-71.01	426.97	1.98	-69.03
CC(C[NH+](C)C)C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212384	0	48	0.0	-70.44	386.76	2.06	-68.38
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300025212447	0	52	0.0	-65.10	402.38	3.01	-62.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300025212447	1	52	0.0	-75.16	409.50	4.03	-71.13
CC(C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025212461	0	49	0.0	-69.59	397.22	2.50	-67.09
CC1CC[N@@H+]1CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212464	1	46	0.0	-70.26	376.53	1.85	-68.41
CC1CC[N@H+]1CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212464	1	46	0.0	-71.35	381.61	2.97	-68.38
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300025212467	0	49	0.0	-78.34	403.41	0.11	-78.23
CC1C[N@H+](C)CC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025212491	1	50	0.0	-75.26	398.92	2.76	-72.50
CC1C[N@@H+](C)CC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025212491	1	50	0.0	-81.23	392.10	2.66	-78.57
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300025212499	0	53	0.0	-77.80	425.31	0.01	-77.79
CCC[N@@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212501	0	55	0.0	-67.44	431.35	4.00	-63.44
CCC[N@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212501	1	55	0.0	-68.86	420.09	3.61	-65.25
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300025212561	0	49	0.0	-69.75	398.79	3.55	-66.20
CC(CC[NH+](C)C)C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212568	0	51	0.0	-74.93	408.42	2.63	-72.30
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300025212586	0	53	0.0	-71.17	421.32	1.04	-70.13
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1	REAL300025212586	1	53	0.0	-67.75	421.22	1.24	-66.51
C#CC[N@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212591	1	51	0.0	-69.00	406.11	3.41	-65.59
C#CC[N@@H+]1CCCCC1C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212591	1	51	0.0	-69.81	417.75	3.73	-66.08
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300025212594	1	51	0.0	-71.37	409.02	1.46	-69.91
CC[NH+]1CCN(CC(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025212602	0	54	0.0	-71.01	426.97	1.98	-69.03
CN(C(=O)C1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212772	0	46	0.0	-65.97	372.97	2.65	-63.32
CN(C(=O)C1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212772	1	46	0.0	-71.73	372.27	1.85	-69.88
CN(C(=O)C1C[N@H+](C)CCO1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212798	1	47	0.0	-86.67	383.00	1.25	-85.42
CN(C(=O)C1C[N@@H+](C)CCO1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212798	1	47	0.0	-85.52	384.63	1.30	-84.22
CC1=[NH+]C=CN1CCCC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212955	1	50	0.0	-67.01	421.30	4.73	-62.28
CN(C(=O)CC[NH+]1CCOCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212959	1	50	0.0	-79.71	406.07	1.04	-78.67
CN(C(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212979	0	50	0.0	-63.55	387.74	3.15	-60.40
CN(C(=O)C1=CC2=C[NH+]=CN2C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212987	1	44	0.0	-71.35	385.38	5.18	-66.17
CN(C(=O)C1CCCC([NH+](C)C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213035	0	55	0.0	-69.10	418.18	3.41	-65.69
CN(C(=O)CC1CC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213037	0	49	0.0	-71.20	396.23	3.55	-67.65
CN(C(=O)CC1CC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213037	1	49	0.0	-70.87	397.23	3.39	-67.48
CN(C)C1=CC=[NH+]C=C1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213048	0	48	0.0	-71.72	397.37	2.12	-69.60
CCC(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025213053	0	48	0.0	-66.35	376.83	2.64	-63.71
CN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213105	0	51	0.0	-71.17	415.69	3.95	-67.22
CC(C)C(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025213125	0	51	0.0	-67.19	394.08	3.48	-63.71
CCC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213127	0	51	0.0	-77.64	412.39	3.00	-74.64
CCC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213127	1	51	0.0	-77.87	412.28	2.91	-74.96
CCC[N@H+](C)CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213132	0	48	0.0	-75.33	390.04	2.42	-72.91
CCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213132	1	48	0.0	-75.34	390.03	2.42	-72.92
CN(C(=O)C12CC[N@H+](C1)CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213152	0	50	0.0	-80.29	382.27	1.85	-78.44
CN(C(=O)C12CC[N@@H+](C1)CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213152	1	50	0.0	-81.49	383.10	2.50	-78.99
CCCCCC[N@H+](C)CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213175	0	57	0.0	-76.72	454.54	4.76	-71.96
CCCCCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213175	1	57	0.0	-69.74	453.99	5.53	-64.21
CC[NH+](CC)C(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300025213178	0	57	0.0	-63.73	423.92	4.85	-58.88
CC1CC[NH+](CC(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025213207	0	52	0.0	-75.76	413.48	3.49	-72.27
CN(C(=O)COC1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213230	0	53	0.0	-74.28	430.28	3.94	-70.34
CN(C(=O)C1CC2CCCC[N@@H+]2C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213269	0	53	0.0	-67.95	414.01	4.33	-63.62
CN(C(=O)C1CC2CCCC[N@H+]2C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213269	1	53	0.0	-77.94	415.01	3.54	-74.40
CN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213278	0	49	0.0	-65.81	397.92	3.38	-62.43
CC(C)[NH+]1CCC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025213288	0	55	0.0	-71.37	423.27	3.31	-68.06
CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213304	0	48	0.0	-77.07	390.78	2.15	-74.92
CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213304	1	48	0.0	-76.78	390.89	2.25	-74.53
CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213325	0	55	0.0	-73.18	410.56	3.68	-69.50
CN(C(=O)C1C[NH+]2CCC1CC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213333	0	50	0.0	-81.18	388.13	2.54	-78.64
CN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213396	0	49	0.0	-85.31	392.57	3.27	-82.04
CC(C)[C@H](C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025213414	0	51	0.0	-73.62	394.20	2.72	-70.90
CC[NH+](CC)CC(F)C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213497	0	51	0.0	-67.16	408.58	3.50	-63.66
CC(C)C[N@@H+]1CCC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025213525	0	55	0.0	-75.28	432.09	3.85	-71.43
CC(C)C[N@H+]1CCC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025213525	1	55	0.0	-76.94	433.13	3.80	-73.14
CN(C(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213528	0	49	0.0	-77.50	382.62	2.24	-75.26
CCC(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025213558	0	54	0.0	-62.86	411.50	3.96	-58.90
CC1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213575	0	49	0.0	-71.73	389.47	2.37	-69.36
CC1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213575	1	49	0.0	-65.27	388.96	3.17	-62.10
CC(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300025213623	0	55	0.0	-71.73	419.39	3.74	-67.99
CC(C)[N@@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213625	0	55	0.0	-70.23	413.70	3.20	-67.03
CC(C)[N@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213625	1	55	0.0	-68.57	421.41	3.43	-65.14
CC(C)[N@@H+]1CCCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213645	0	52	0.0	-70.29	405.16	2.92	-67.37
CC(C)[N@H+]1CCCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213645	1	52	0.0	-63.70	399.29	4.10	-59.60
CC(C)[N@@H+]1CCCC1CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213651	0	55	0.0	-68.17	421.03	3.15	-65.02
CC(C)[N@H+]1CCCC1CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213651	1	55	0.0	-73.41	430.57	3.66	-69.75
CC(C)[C@@H](C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025213662	0	51	0.0	-65.88	392.75	3.41	-62.47
CC1CC[N@H+](CC(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025213680	0	49	0.0	-67.34	396.52	3.43	-63.91
CC1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025213680	1	49	0.0	-67.69	395.96	3.50	-64.19
CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213684	0	52	0.0	-68.01	415.56	4.14	-63.87
CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213684	1	52	0.0	-74.48	415.82	3.25	-71.23
CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213685	0	54	0.0	-75.11	420.57	3.54	-71.57
CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213685	1	54	0.0	-75.07	420.42	3.48	-71.59
CC[C@@H](C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025213693	0	48	0.0	-71.95	378.41	1.79	-70.16
CC1=[NH+]C=CN1CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213863	1	44	0.0	-71.39	380.22	2.60	-68.79
CC(C[NH+]1CCOCC1)C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213864	0	53	0.0	-70.89	416.67	2.24	-68.65
CN(C(=O)CCC[NH+]1CCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213879	0	55	0.0	-75.92	435.84	4.24	-71.68
CN(C(=O)C1=NOC(C[NH+](C)C)=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213891	1	48	0.0	-78.35	405.33	3.09	-75.26
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213920	1	50	0.0	-70.07	416.53	3.74	-66.33
CN(C(=O)C1CCCC2CCC[N@@H+]21)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213948	0	53	0.0	-68.25	410.13	3.45	-64.80
CN(C(=O)C1CCCC2CCC[N@H+]21)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213948	1	53	0.0	-68.27	410.40	3.57	-64.70
CC[N@@H+]1CCOC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025213962	1	50	0.0	-78.03	393.71	1.62	-76.41
CC[N@H+]1CCOC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025213962	1	50	0.0	-76.07	394.74	1.69	-74.38
CN(C(=O)C1=CN2C=[NH+]C=C2C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214002	0	44	0.0	-75.61	377.73	4.14	-71.47
CC1=C[NH+]=CN1CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214007	1	44	0.0	-74.28	379.51	3.30	-70.98
C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025214016	0	49	0.0	-69.79	385.82	2.78	-67.01
C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025214016	1	49	0.0	-76.02	390.01	2.30	-73.72
CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025214020	0	52	0.0	-69.03	402.96	3.31	-65.72
CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025214020	1	52	0.0	-71.84	414.97	3.20	-68.64
CC1CCC(C)[NH+]1CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214031	0	52	0.0	-64.61	407.56	3.79	-60.82
CN(C(=O)CCC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214037	0	52	0.0	-75.60	420.63	3.58	-72.02
C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025214042	0	51	0.0	-75.13	417.27	3.51	-71.62
CN(C(=O)CC[NH+]1CCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214043	0	52	0.0	-76.30	414.34	3.43	-72.87
CC[N@@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214048	0	52	0.0	-65.26	396.48	3.53	-61.73
CC[N@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214048	1	52	0.0	-71.47	396.93	2.75	-68.72
CN(C(=O)CC1([NH+](C)C)CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214081	0	55	0.0	-77.61	413.54	3.52	-74.09
CN(C(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214202	0	49	0.0	-66.66	396.50	3.76	-62.90
CN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214202	1	49	0.0	-73.27	396.78	2.87	-70.40
CC(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300025214219	0	55	0.0	-69.22	420.47	3.21	-66.01
CN(C(=O)CCCC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214231	0	55	0.0	-75.93	442.12	4.36	-71.57
CN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214242	0	49	0.0	-85.31	392.57	3.27	-82.04
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214277	0	46	0.0	-65.94	373.07	2.65	-63.29
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214277	1	46	0.0	-74.04	369.77	1.44	-72.60
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214298	1	48	0.0	-65.33	395.34	3.71	-61.62
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214298	1	48	0.0	-78.24	402.88	3.97	-74.27
CN(C(=O)CCC1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214303	0	52	0.0	-78.17	414.57	3.37	-74.80
CN(C(=O)CCC1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214303	1	52	0.0	-78.44	418.20	3.53	-74.91
CN(C(=O)C12CCC[NH+](CCC1)C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214310	0	53	0.0	-74.94	398.28	2.70	-72.24
CN(C(=O)C1CCC2CCCC[N@@H+]21)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214313	0	53	0.0	-63.53	410.25	4.22	-59.31
CN(C(=O)C1CCC2CCCC[N@H+]21)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214313	1	53	0.0	-69.95	415.14	3.78	-66.17
CCC[N@@H+]1CCCC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025214375	0	55	0.0	-68.70	423.41	3.94	-64.76
CCC[N@H+]1CCCC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025214375	1	55	0.0	-66.60	424.27	3.91	-62.69
CC(C)[N@@H+]1CCOC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025214389	1	53	0.0	-87.11	417.62	3.11	-84.00
CC(C)[N@H+]1CCOC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025214389	1	53	0.0	-75.76	410.60	2.23	-73.53
CN(C(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214410	0	49	0.0	-68.14	390.53	2.50	-65.64
CN(C(=O)C1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214410	1	49	0.0	-71.36	390.05	2.42	-68.94
CC(C)C[N@@H+]1CCCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214430	0	55	0.0	-72.36	428.88	3.62	-68.74
CC(C)C[N@H+]1CCCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214430	1	55	0.0	-71.82	431.39	4.00	-67.82
CN(C(=O)C[NH+]1CCC(CO)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214443	0	53	0.0	-78.60	424.69	0.17	-78.43
CC1C(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025214484	0	49	0.0	-77.70	392.67	2.26	-75.44
CC1C(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025214484	1	49	0.0	-76.52	387.48	2.30	-74.22
CN(C(=O)CCC1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214486	0	55	0.0	-68.70	431.31	4.86	-63.84
CN(C(=O)CCC1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214486	1	55	0.0	-78.72	424.78	3.76	-74.96
CN(C(=O)C1CC[N@@H+]1C(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214564	0	52	0.0	-72.13	392.67	1.92	-70.21
CN(C(=O)C1CC[N@H+]1C(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214564	1	52	0.0	-71.93	412.35	2.71	-69.22
C[C@@H](C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025214582	0	45	0.0	-73.36	366.44	1.24	-72.12
C=CCC(C)(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025214596	0	52	0.0	-62.44	393.51	3.23	-59.21
CN(C(=O)CC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214616	0	49	0.0	-76.54	399.01	2.65	-73.89
CN(C(=O)C[N@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214626	1	46	0.0	-68.79	378.35	-0.79	-69.58
CN(C(=O)C[N@@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214626	1	46	0.0	-75.59	378.67	-1.58	-77.17
CN(C(=O)C1C[N@@H+]2CCN1CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214659	0	52	0.0	-81.49	395.99	0.08	-81.41
CN(C(=O)C1C[N@H+]2CCN1CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214659	1	52	0.0	-83.99	393.70	0.36	-83.63
CN(C(=O)CC1=CC[N@H+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214705	0	50	0.0	-69.84	409.40	4.14	-65.70
CN(C(=O)CC1=CC[N@@H+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214705	1	50	0.0	-68.95	409.13	4.28	-64.67
CN(C(=O)C(O)CC[S+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214719	0	48	0.0	-68.25	410.27	1.22	-67.03
CN(C(=O)C1(C)CC(O)C[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214737	0	50	0.0	-72.75	390.80	-1.55	-74.30
CN(C(=O)C1(C)CC(O)C[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214737	1	50	0.0	-68.15	389.49	-0.69	-68.84
CN(C(=O)C1CN(C)CC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214747	0	54	0.0	-69.83	419.41	0.91	-68.92
CN(C(=O)C1CN(C)CC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214747	1	54	0.0	-77.89	421.26	0.90	-76.99
CC(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300025214748	0	53	0.0	-65.94	417.70	0.89	-65.05
CC(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300025214748	1	53	0.0	-73.42	418.18	0.11	-73.31
CN(C(=O)CC1(O)CCC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214776	0	53	0.0	-66.01	419.95	2.29	-63.72
CN(C(=O)CC1(O)CCC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214776	1	53	0.0	-70.56	411.53	1.17	-69.39
CC1C[NH+](CC(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025214780	1	46	0.0	-75.90	380.87	2.15	-73.75
CC[N@@H+]1CCCC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025214786	0	52	0.0	-68.26	402.62	3.25	-65.01
CC[N@H+]1CCCC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025214786	1	52	0.0	-78.37	409.21	3.99	-74.38
CN(C(=O)C1CCC[N@@H+]1C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214802	0	50	0.0	-74.88	399.53	2.93	-71.95
CN(C(=O)C1CCC[N@H+]1C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214802	1	50	0.0	-72.53	399.97	2.83	-69.70
CN(C(=O)C=CC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214837	0	50	0.0	-71.30	411.76	4.22	-67.08
CN(C(=O)C1CC[NH+](C2CC2)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214855	0	53	0.0	-77.06	415.26	3.61	-73.45
CC[N@H+](C)CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214893	0	45	0.0	-68.23	368.00	2.44	-65.79
CN(C(=O)CN1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214938	0	48	0.0	-66.09	389.89	3.76	-62.33
CN(C(=O)C[N@@H+]1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214938	1	48	0.0	-66.50	389.40	3.89	-62.61
CN(C(=O)C[N@H+]1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214938	1	48	0.0	-66.50	389.40	3.89	-62.61
CN(C(=O)C12CCC[N@@H+]1CCCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215044	0	53	0.0	-63.15	398.84	3.45	-59.70
CN(C(=O)C12CCC[N@H+]1CCCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215044	1	53	0.0	-63.15	398.84	3.45	-59.70
CN(C(=O)C12CCC[N@@H+]1CC=CC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215050	0	51	0.0	-68.75	391.80	2.67	-66.08
CN(C(=O)C12CCC[N@H+]1CC=CC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215050	1	51	0.0	-68.75	391.80	2.67	-66.08
CC(OCC[NH+](C)C)C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215059	0	52	0.0	-68.53	420.83	3.34	-65.19
CN(C(=O)CCOCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215067	0	52	0.0	-68.70	427.15	2.62	-66.08
COCCN(C)CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215069	0	49	0.0	-75.40	400.92	0.82	-74.58
COCC[N@H+](C)CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215069	1	49	0.0	-68.77	400.60	1.61	-67.16
COCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215069	1	49	0.0	-68.77	400.60	1.61	-67.16
CC(CCC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025215074	0	51	0.0	-69.19	407.61	3.56	-65.63
CC[N@H+](CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025215096	0	49	0.0	-72.33	397.38	3.01	-69.32
CC1C[N@@H+]2CCN1C(C(=O)N(C)C1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025215111	0	52	0.0	-71.10	399.26	0.46	-70.64
CN(C(=O)C12CC(C1)C[N@@H+]2C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215133	0	47	0.0	-76.84	376.85	2.31	-74.53
CN(C(=O)C[N@@H+]1CC2CCC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215146	0	50	0.0	-66.07	394.36	3.81	-62.26
CN(C(=O)C[N@H+]1CC2CCC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215146	1	50	0.0	-66.07	394.36	3.81	-62.26
CC(C[NH+](C)C)C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215165	0	48	0.0	-82.45	387.46	2.86	-79.59
CN(C(=O)C1([NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215180	0	46	0.0	-66.60	371.91	2.48	-64.12
C[C@H](C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025215203	0	45	0.0	-73.25	367.08	1.37	-71.88
CC[N@@H+]1CCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215209	1	46	0.0	-74.66	381.96	1.92	-72.74
CC[N@H+]1CCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215209	1	46	0.0	-65.77	373.83	2.43	-63.34
CC(C)[N@@H+]1CCCC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025215219	0	55	0.0	-64.57	419.65	3.70	-60.87
CC(C)[N@H+]1CCCC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025215219	1	55	0.0	-73.22	427.90	3.67	-69.55
CCC(C)(C)[NH2+]C(C)C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215231	0	54	0.0	-66.89	413.67	2.39	-64.50
C#CC[N@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215270	1	51	0.0	-77.53	403.73	3.89	-73.64
C#CC[N@@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215270	1	51	0.0	-71.45	416.61	3.78	-67.67
CN(C(=O)C1=C[NH+]=CC=C1N)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215272	0	42	0.0	-76.21	360.14	-1.08	-77.29
CCCC(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025215281	0	51	0.0	-67.29	399.80	3.50	-63.79
CN(C(=O)C(C)(C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215288	0	48	0.0	-78.60	370.88	2.26	-76.34
CC(CC[NH+](C)C)C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215306	0	51	0.0	-70.70	405.41	3.40	-67.30
CN(C(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215363	0	51	0.0	-73.29	410.15	3.51	-69.78
CN(C(=O)C12CC(C1)C[N@H+]2C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215363	1	51	0.0	-74.31	398.15	4.17	-70.14
CN(C(=O)C1CC(C)(C)C[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215392	0	52	0.0	-71.02	415.12	2.93	-68.09
CN(C(=O)C1CC(C)(C)C[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215392	1	52	0.0	-73.00	410.01	2.62	-70.38
CN(C(=O)CCCCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215395	0	54	0.0	-70.99	437.19	4.73	-66.26
CN(C(=O)CC[NH+]1CCC(O)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215399	0	53	0.0	-73.20	425.42	0.90	-72.30
CCC[N@@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215403	0	55	0.0	-66.80	429.59	3.78	-63.02
CCC[N@H+]1CCCCC1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215403	1	55	0.0	-71.00	430.48	3.87	-67.13
CN(C(=O)CN1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215412	1	51	0.0	-69.97	409.29	1.27	-68.70
CC1C[N@H+](C)CC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025215494	1	50	0.0	-87.84	396.95	1.56	-86.28
CC1C[N@@H+](C)CC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025215494	1	50	0.0	-79.30	397.07	1.71	-77.59
CCC1CCC[N@H+](CC(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025215523	0	55	0.0	-75.72	424.76	4.08	-71.64
CCC1CCC[N@@H+](CC(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025215523	1	55	0.0	-75.51	431.76	4.12	-71.39
CN(C(=O)C1=CC=C(C[NH+](C)C)N1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215531	0	50	0.0	-73.57	412.05	3.41	-70.16
CN(C(=O)C[NH+]1CC2CC2C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215544	0	47	0.0	-75.39	386.13	2.87	-72.52
CN(C(=O)CC1([NH+]2CCCC2)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215555	0	53	0.0	-65.62	415.37	4.56	-61.06
CN(C(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215588	0	49	0.0	-68.14	390.53	2.50	-65.64
CN(C(=O)C1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215588	1	49	0.0	-71.36	390.05	2.42	-68.94
CN(C(=O)C=C1CC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215687	0	47	0.0	-78.01	388.84	2.56	-75.45
CN(C(=O)C=C1CC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215687	1	47	0.0	-78.02	388.82	2.57	-75.45
CN(C(=O)CNC1=CC=[NH+]C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215692	0	45	0.0	-74.84	386.51	0.27	-74.57
CN(C(=O)CN=[N+]=[N-])C1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025215736	0	36	0.0	-25.64	327.64	-3.51	-29.15
CC[NH+]1CCN(CC(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025215743	0	54	0.0	-68.60	427.02	1.95	-66.65
CN(C(=O)C=C1C[NH+]2CCC1CC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215746	0	51	0.0	-70.23	406.59	3.42	-66.81
CN(C(=O)C1([NH+](C)C)CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215779	0	52	0.0	-69.24	392.57	3.57	-65.67
CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215787	0	53	0.0	-73.86	421.79	0.21	-73.65
CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215787	1	53	0.0	-70.94	420.86	0.28	-70.66
CCC1C[NH+](CC(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025215790	0	49	0.0	-76.38	403.45	2.84	-73.54
CN(C(=O)C1([NH+]2CCCC2)CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215793	0	53	0.0	-74.01	405.84	3.37	-70.64
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215805	0	46	0.0	-73.34	370.42	1.57	-71.77
CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215805	1	46	0.0	-71.82	376.47	1.90	-69.92
CC[N@@H+]1CCOCC1CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215827	0	53	0.0	-79.13	418.51	1.51	-77.62
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215931	0	49	0.0	-75.68	399.98	2.74	-72.94
CN(C(=O)C1CCC([NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215942	0	55	0.0	-67.67	419.17	3.36	-64.31
CN(C(=O)C1(CC[NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215943	0	52	0.0	-70.77	422.73	4.19	-66.58
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215944	0	55	0.0	-68.90	419.24	3.42	-65.48
CN(C(=O)CC1CC=CC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215945	0	50	0.0	-79.00	401.96	2.99	-76.01
CN(C(=O)CC1CC=CC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215945	1	50	0.0	-79.00	401.96	2.99	-76.01
CN(C(=O)COCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215997	0	49	0.0	-69.61	406.19	2.90	-66.71
CCCCC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216002	0	57	0.0	-78.94	455.28	4.47	-74.47
CCCCC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216002	1	57	0.0	-78.94	455.28	4.47	-74.47
CN(C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216013	0	53	0.0	-74.74	425.86	2.90	-71.84
CN(C(=O)CN1C=CSC1=[NH2+])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216036	0	42	0.0	-71.05	377.86	1.18	-69.87
C[C@@H](OCC[NH+](C)C)C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216101	0	52	0.0	-68.10	420.55	3.46	-64.64
CN(C(=O)CC[NH+]1CCCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216132	0	55	0.0	-78.56	424.70	3.57	-74.99
CN(C(=O)C[NH+]1CCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216135	0	49	0.0	-74.93	392.62	2.88	-72.05
CN(C(=O)C1CCC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216137	0	49	0.0	-68.79	384.09	2.44	-66.35
CN(C(=O)C1CCC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216137	1	49	0.0	-75.61	390.01	2.39	-73.22
CN(C(=O)C[NH+]1CCC(CO)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216138	0	53	0.0	-78.60	424.69	0.17	-78.43
CN(C(=O)C[NH+]1CCCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216139	0	52	0.0	-74.61	402.12	3.05	-71.56
CN(C(=O)C[N+]1=CN(C)C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216144	0	44	0.0	-72.83	381.91	4.41	-68.42
CN(C(=O)C1=CC=C(C[NH+](C)C)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216159	1	49	0.0	-81.93	412.51	2.92	-79.01
CN(C(=O)C[NH+]1CCC(O)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216174	1	50	0.0	-80.19	404.10	-0.48	-80.67
CN(C(=O)C[N@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216178	0	46	0.0	-72.18	380.06	2.41	-69.77
CN(C(=O)C[N@@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216178	1	46	0.0	-72.13	380.05	2.42	-69.71
CC(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300025216180	1	54	0.0	-70.76	418.17	0.53	-70.23
CN(C(=O)CC[N@@H+]1CCC(F)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216182	0	49	0.0	-81.78	405.29	2.75	-79.03
CN(C(=O)CC[N@H+]1CCC(F)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216182	1	49	0.0	-81.46	404.85	2.88	-78.58
COC1C[N@H+](C)C(C)(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025216191	0	53	0.0	-77.26	410.45	1.34	-75.92
COC1C[N@@H+](C)C(C)(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025216191	1	53	0.0	-71.15	414.12	0.86	-70.29
CCOCC(N=[N+]=[N-])C(=O)N(C)C1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025216199	0	46	0.0	-22.32	400.23	-2.05	-24.37
CC(CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025216207	0	51	0.0	-70.95	407.51	3.83	-67.12
CN(C(=O)C1CC[N@@H+]2CCOCC12)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216219	0	51	0.0	-71.42	405.30	2.07	-69.35
CN(C(=O)C1CC[N@H+]2CCOCC12)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216219	1	51	0.0	-79.75	406.12	1.04	-78.71
CN(C(=O)CC1COCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216236	1	50	0.0	-81.71	401.53	0.85	-80.86
CN(C(=O)CC1COCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216236	1	50	0.0	-71.64	393.78	0.60	-71.04
CC[NH+]1CCN(CC(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025216244	0	54	0.0	-68.60	427.02	1.95	-66.65
CN(C(=O)C[N@@H+]1CCC(C)(O)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216333	0	50	0.0	-75.67	407.22	-0.61	-76.28
CN(C(=O)C[N@H+]1CCC(C)(O)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216333	1	50	0.0	-75.74	407.37	-0.60	-76.34
CN(C(=O)CC1C[NH+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216365	0	46	0.0	-75.88	382.24	1.85	-74.03
CN(C(=O)C1CC[N@@H+]1C1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216369	0	53	0.0	-75.45	422.56	3.84	-71.61
CN(C(=O)C1CC[N@H+]1C1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216369	1	53	0.0	-73.35	415.76	3.47	-69.88
CN(C(=O)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216377	0	42	0.0	-69.20	350.33	1.78	-67.42
CN(C(=O)CC[N@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216403	0	49	0.0	-76.79	401.14	-1.06	-77.85
CN(C(=O)CC[N@@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216403	1	49	0.0	-76.10	401.20	-0.96	-77.06
C[C@@H](C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025216404	0	45	0.0	-73.36	366.44	1.24	-72.12
CN(C(=O)CC1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216421	0	52	0.0	-69.85	409.27	4.01	-65.84
CN(C(=O)CC1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216421	1	52	0.0	-70.16	409.62	4.00	-66.16
CC(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025216438	0	49	0.0	-68.60	397.96	2.33	-66.27
CC1CC[N@@H+]1CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216442	1	46	0.0	-72.97	376.59	1.81	-71.16
CC1CC[N@H+]1CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216442	1	46	0.0	-66.77	375.77	2.70	-64.07
CN(C(=O)C=CC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216453	0	46	0.0	-72.53	385.47	3.02	-69.51
CN(C(=O)C[NH+]1CC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216464	1	49	0.0	-75.75	401.09	2.46	-73.29
CC1=C(C)[NH+]=C(CCC(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300025216479	1	50	0.0	-64.16	420.56	3.10	-61.06
CN(C(=O)CSCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216496	0	49	0.0	-73.56	417.22	3.77	-69.79
CN(C(=O)C[N@@H+]1CCCC1CO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216519	0	50	0.0	-74.52	403.85	-0.36	-74.88
CN(C(=O)C[N@H+]1CCCC1CO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216519	1	50	0.0	-74.17	404.97	-0.53	-74.70
CC[NH+](CC)CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216523	0	48	0.0	-66.72	381.91	2.85	-63.87
CN(C(=O)C[NH+]1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216534	1	43	0.0	-68.71	360.43	2.19	-66.52
CC[NH+](CC)CCC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216574	0	51	0.0	-69.25	403.93	3.46	-65.79
CN(C(=O)C1=CC(C[NH+](C)C)=CN1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216631	0	50	0.0	-79.57	412.56	2.47	-77.10
CC(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300025216648	0	53	0.0	-75.79	420.07	-0.10	-75.89
CN(C(=O)C1CC2COCC[N@@H+]2C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216652	0	51	0.0	-71.54	408.74	1.30	-70.24
CN(C(=O)C1CC2COCC[N@H+]2C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216652	1	51	0.0	-77.72	405.55	1.07	-76.65
CC(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025216663	0	46	0.0	-78.13	377.11	2.64	-75.49
CCC(CC(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025216668	0	54	0.0	-71.86	425.16	4.43	-67.43
CN(C(=O)C(C)(C)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216676	0	51	0.0	-72.94	387.95	2.82	-70.12
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216728	0	49	0.0	-65.55	390.66	3.37	-62.18
CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216728	1	49	0.0	-73.01	379.07	1.99	-71.02
CC1CN2CC[N@@H+]1CC2C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216742	0	52	0.0	-80.15	399.83	-0.47	-80.62
CC1CN2CC[N@H+]1CC2C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216742	1	52	0.0	-78.75	399.92	-0.37	-79.12
CN(C(=O)CC(O)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216762	0	49	0.0	-73.41	402.92	0.84	-72.57
CN(C(=O)C1CC2CCC(C1)[NH+]2C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216764	0	53	0.0	-63.28	381.86	3.58	-59.70
C=CCC(C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025216794	0	49	0.0	-67.02	391.19	3.26	-63.76
CN(C(=O)C1CC2CCCC[N@@H+]2C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216801	0	53	0.0	-67.95	414.01	4.33	-63.62
CN(C(=O)C1CC2CCCC[N@H+]2C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216801	1	53	0.0	-77.94	415.01	3.54	-74.40
CN(C(=O)C1(C)CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216812	0	52	0.0	-77.01	398.56	3.20	-73.81
CN(C(=O)CC1(O)CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216814	0	53	0.0	-71.41	420.54	2.13	-69.28
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CSC(N)=[NH2+])C1	REAL300025216838	0	40	0.0	-74.82	358.72	-1.99	-76.81
CC[N@@H+]1CCOCC1CC(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216865	0	53	0.0	-73.91	413.95	2.16	-71.75
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC([NH+](C)C)CC2)C1	REAL300025216878	0	55	0.0	-72.15	420.47	3.51	-68.64
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300025216879	0	52	0.0	-78.59	418.37	4.06	-74.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300025216880	0	55	0.0	-68.24	419.70	4.44	-63.80
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300025216881	0	50	0.0	-66.89	396.49	3.83	-63.06
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300025216881	1	50	0.0	-66.89	396.49	3.83	-63.06
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216902	0	52	0.0	-70.26	419.84	3.53	-66.73
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC3CCC(C2)[NH+]3C)C1	REAL300025216926	0	53	0.0	-73.90	387.97	3.16	-70.74
CCC1C[NH+](CC(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025217018	0	49	0.0	-73.38	403.47	2.89	-70.49
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300025217020	0	53	0.0	-69.08	405.66	4.23	-64.85
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300025217027	0	46	0.0	-72.71	369.83	1.45	-71.26
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300025217027	1	46	0.0	-68.99	375.55	1.93	-67.06
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300025217034	1	49	0.0	-79.39	404.66	3.63	-75.76
COC1C[N@@H+](C)C(C)(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025217042	1	53	0.0	-75.69	412.19	1.10	-74.59
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300025217049	0	55	0.0	-74.96	425.16	3.95	-71.01
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCCCC2)C1	REAL300025217051	0	49	0.0	-71.58	392.53	2.92	-68.66
CC1C(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025217060	0	49	0.0	-71.57	392.78	2.38	-69.19
CC1C(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025217060	1	49	0.0	-73.91	387.98	2.24	-71.67
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2CCCC[N@@H+]2C)C1	REAL300025217062	0	55	0.0	-75.20	423.94	4.70	-70.50
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2CCCC[N@H+]2C)C1	REAL300025217062	1	55	0.0	-76.93	424.76	3.80	-73.13
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300025217084	0	51	0.0	-76.63	408.29	1.15	-75.48
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300025217084	1	51	0.0	-68.33	398.27	2.22	-66.11
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2COCCN2C)C1	REAL300025217101	0	50	0.0	-69.72	393.41	1.50	-68.22
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300025217101	1	50	0.0	-79.31	400.89	1.65	-77.66
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2COCC[N@H+]2C)C1	REAL300025217101	1	50	0.0	-69.72	393.41	1.50	-68.22
CC1=C(C)[NH+]=C(CCC(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300025217108	1	50	0.0	-68.82	420.92	2.24	-66.58
CCOCC(N=[N+]=[N-])C(=O)N1CC(N(C)C(=O)CSC2=NC(=O)NN2)C1	REAL300025217112	0	46	0.0	-24.05	401.84	-2.62	-26.67
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CSCC[NH+](C)C)C1	REAL300025217182	0	49	0.0	-78.85	417.69	2.99	-75.86
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300025217188	0	51	0.0	-71.63	405.93	1.27	-70.36
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300025217188	1	51	0.0	-74.93	408.47	2.16	-72.77
C[NH+](C)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025217291	0	52	0.0	-77.25	409.46	2.64	-74.61
C[C@@H](C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025217296	0	55	0.0	-74.68	427.56	3.04	-71.64
[N-]=[N+]=NCC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NC(=O)NN1	REAL300025217299	0	46	0.0	-25.72	386.44	-1.76	-27.48
C[C@@H](C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025217309	0	55	0.0	-74.68	427.56	3.04	-71.64
O=C(C[NH+]1CCC1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025217317	1	53	0.0	-77.28	419.56	3.07	-74.21
C[C@H](C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025217322	0	55	0.0	-75.97	427.59	3.06	-72.91
CC[N@H+](C)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025217334	0	55	0.0	-76.56	427.30	3.31	-73.25
CC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025217334	1	55	0.0	-76.66	427.29	3.30	-73.36
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025217480	0	55	0.0	-69.63	426.82	2.93	-66.70
CC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025217499	0	55	0.0	-71.17	427.27	3.24	-67.93
CC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025217499	1	55	0.0	-72.55	427.20	3.26	-69.29
C[C@H](C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025217512	0	55	0.0	-71.11	426.36	2.92	-68.19
[N-]=[N+]=NCC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)CSC1=NC(=O)NN1)C2	REAL300025217537	0	46	0.0	-26.15	386.63	-1.82	-27.97
C[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025217568	0	52	0.0	-73.35	409.50	2.56	-70.79
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025217571	0	55	0.0	-69.63	426.82	2.93	-66.70
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC1	REAL300025217578	1	53	0.0	-71.66	420.18	3.03	-68.63
CC(CNC(=O)C1CCC[N@@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025217786	0	51	0.0	-71.29	402.77	1.81	-69.48
CC(CNC(=O)C1CCC[N@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025217786	1	51	0.0	-67.16	402.96	1.80	-65.36
CC(CNC(=O)C1C[N@H+](C)CCO1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025217810	1	52	0.0	-68.77	413.31	1.56	-67.21
CC(CNC(=O)C1C[N@@H+](C)CCO1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025217810	1	52	0.0	-77.87	420.40	1.72	-76.15
CC(CNC(=O)C1CCC[N@@H+]1C(C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025217953	0	57	0.0	-66.54	441.57	3.38	-63.16
CC(CNC(=O)C1CCC[N@H+]1C(C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025217953	1	57	0.0	-65.24	441.97	3.36	-61.88
CC1=[NH+]C=CN1CC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025217975	1	49	0.0	-66.43	412.45	2.87	-63.56
CC(CNC(=O)C1C[NH+]2CCC1CC2)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025217993	0	55	0.0	-72.17	424.48	3.06	-69.11
CC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218019	0	54	0.0	-73.50	420.07	2.48	-71.02
CC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218019	1	54	0.0	-70.90	424.83	2.78	-68.12
CC[C@@H]1[C@@H](C(=O)NCC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025218021	0	57	0.0	-73.11	439.94	2.94	-70.17
CC[C@@H]1[C@@H](C(=O)NCC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025218021	1	57	0.0	-71.81	445.29	3.27	-68.54
CC(CNC(=O)C[NH+]1C(C)CCC1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218068	0	57	0.0	-65.56	440.15	3.13	-62.43
CC(CNC(=O)CCC[NH+]1CCCC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218070	0	57	0.0	-72.41	452.34	3.79	-68.62
CC(CNC(=O)CC[NH+]1CCCCC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218072	0	57	0.0	-71.03	446.65	3.66	-67.37
CC[N@@H+]1CCCCC1C(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218075	0	57	0.0	-65.82	442.58	3.49	-62.33
CC[N@H+]1CCCCC1C(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218075	1	57	0.0	-66.63	433.36	3.34	-63.29
CC(CNC(=O)C1([NH+](C)C)CCC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218084	0	54	0.0	-71.44	413.96	2.80	-68.64
CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218090	0	56	0.0	-70.37	432.85	3.46	-66.91
CC(CNC(=O)C[N@H+](C)C1CCC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218108	0	54	0.0	-67.82	429.23	3.23	-64.59
CC(CNC(=O)C[N@@H+](C)C1CCC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218108	1	54	0.0	-68.83	428.99	3.25	-65.58
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218158	1	53	0.0	-67.75	429.76	3.02	-64.73
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218158	1	53	0.0	-67.05	435.34	3.56	-63.49
CC(CNC(=O)CCC1CCC[N@@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218163	0	57	0.0	-70.94	444.97	3.29	-67.65
CC(CNC(=O)CCC1CCC[N@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218163	1	57	0.0	-73.19	450.17	3.76	-69.43
CC(CNC(=O)C1CC[NH+](C)CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218179	0	54	0.0	-73.45	427.70	2.92	-70.53
CC(CNC(=O)C1CCCC[N@@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218202	0	54	0.0	-68.72	424.70	2.85	-65.87
CC(CNC(=O)C1CCCC[N@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218202	1	54	0.0	-68.41	415.43	2.69	-65.72
CC1=C[NH+]=CN1CC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218260	1	49	0.0	-70.28	411.82	3.55	-66.73
CC(CNC(=O)C12CCC[NH+]1CCC2)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218276	0	55	0.0	-69.83	427.17	3.24	-66.59
CC(CNC(=O)CC1CC[N@H+](C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218281	0	54	0.0	-73.74	429.10	2.86	-70.88
CC(CNC(=O)CC1CC[N@@H+](C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218281	1	54	0.0	-74.84	429.32	2.86	-71.98
CCC(C(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025218287	0	53	0.0	-67.91	413.43	2.26	-65.65
CC(CNC(=O)CCCC[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218328	0	56	0.0	-73.85	448.38	3.39	-70.46
CC(CNC(=O)C(C(C)C)[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218338	0	56	0.0	-66.69	432.63	3.34	-63.35
CCC[N@H+](C)CCC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218339	0	56	0.0	-72.50	444.70	3.21	-69.29
CCC[N@@H+](C)CCC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218339	1	56	0.0	-72.31	444.61	3.21	-69.10
CCC[N@H+](C)CC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218342	0	53	0.0	-71.07	422.00	2.68	-68.39
CCC[N@@H+](C)CC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218342	1	53	0.0	-71.05	421.74	2.66	-68.39
CC(CNC(=O)C12CC[N@H+](C1)CCC2)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218351	0	55	0.0	-76.89	424.45	2.48	-74.41
CC(CNC(=O)C12CC[N@@H+](C1)CCC2)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218351	1	55	0.0	-71.13	424.60	2.49	-68.64
CC(CNC(=O)[C@H]1CCC[N@@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218372	0	51	0.0	-68.30	407.61	2.33	-65.97
CC(CNC(=O)[C@H]1CCC[N@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218372	1	51	0.0	-71.30	402.79	1.81	-69.49
CC[NH+](CC)CC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218399	0	53	0.0	-67.55	419.11	2.62	-64.93
CC(CNC(=O)C[NH+]1CCC(C)CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218452	0	57	0.0	-69.88	445.97	3.75	-66.13
CC(CNC(=O)C1(C[NH+](C)C)CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218470	0	54	0.0	-67.03	434.81	3.04	-63.99
CC(CNC(=O)C1CC[NH+](C)CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218516	0	54	0.0	-73.45	427.70	2.92	-70.53
CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218531	0	56	0.0	-68.70	432.85	3.34	-65.36
CC[N@H+](C)CCC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218587	0	53	0.0	-71.78	423.21	2.48	-69.30
CC[N@@H+](C)CCC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218587	1	53	0.0	-72.76	422.87	2.48	-70.28
CC(CNC(=O)C[N@@H+]1CCCC1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218609	0	54	0.0	-68.14	427.93	3.04	-65.10
CC(CNC(=O)C[N@H+]1CCCC1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218609	1	54	0.0	-68.26	427.72	2.94	-65.32
CC(CNC(=O)C[N@@H+]1CCC(C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218610	0	54	0.0	-70.23	428.07	3.00	-67.23
CC(CNC(=O)C[N@H+]1CCC(C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218610	1	54	0.0	-68.79	429.08	3.00	-65.79
CC(CNC(=O)C[N@@H+]1CCC(C)(C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218611	0	57	0.0	-70.31	448.35	3.52	-66.79
CC(CNC(=O)C[N@H+]1CCC(C)(C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218611	1	57	0.0	-68.66	448.14	3.50	-65.16
CC[C@@H](C(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025218618	0	53	0.0	-68.87	417.36	2.84	-66.03
CC(CNC(=O)C[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218688	0	47	0.0	-70.08	383.02	1.26	-68.82
CC(CNC(=O)C[NH+]1CCCCCC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218691	0	57	0.0	-70.10	433.85	3.32	-66.78
CC(CNC(=O)C[N+]1=CN(C)C=C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218693	0	49	0.0	-67.38	414.34	4.76	-62.62
CC(CNC(=O)C1CCC[N@H+](C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218696	0	54	0.0	-66.58	421.09	3.10	-63.48
CC(CNC(=O)C1CCC[N@@H+](C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218696	1	54	0.0	-65.53	421.36	3.10	-62.43
CC(CNC(=O)C1CCC[N@@H+]1C1CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218701	0	55	0.0	-69.96	434.96	3.25	-66.71
CC(CNC(=O)C1CCC[N@H+]1C1CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218701	1	55	0.0	-65.85	433.58	3.10	-62.75
CC(CNC(=O)C(C)[NH+]1CCC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218711	1	51	0.0	-68.51	412.51	2.19	-66.32
CC(CNC(=O)C(C)(C)C[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218719	0	56	0.0	-71.13	432.16	3.12	-68.01
CC(CNC(=O)C[N@H+](C)C1CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218730	0	51	0.0	-68.72	411.91	2.66	-66.06
CC(CNC(=O)C[N@@H+](C)C1CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218730	1	51	0.0	-67.08	412.52	2.66	-64.42
CC(CNC(=O)CC1C[NH+](C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218744	0	51	0.0	-72.31	414.46	2.08	-70.23
CC(CNC(=O)C1CC[N@@H+]1C(C)(C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218754	0	57	0.0	-67.66	444.33	3.01	-64.65
CC(CNC(=O)C1CC[N@H+]1C(C)(C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218754	1	57	0.0	-67.84	444.27	2.98	-64.86
CC(CNC(=O)[C@H](C)[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218763	0	50	0.0	-68.90	401.01	1.66	-67.24
CC(CNC(=O)CN=[N+]=[N-])CN(C)C(=O)CSC1=NC(=O)NN1	REAL300025218770	0	41	0.0	-23.89	359.98	-3.14	-27.03
CC(CNC(=O)CN1C=CSC1=[NH2+])CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218811	0	47	0.0	-65.57	410.09	1.44	-64.13
CC(CNC(=O)CC[N@H+](C)CCO)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218816	0	54	0.0	-71.27	433.56	-0.76	-72.03
CC(CNC(=O)CC[N@@H+](C)CCO)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218816	1	54	0.0	-71.57	433.45	-0.76	-72.33
CC(CNC(=O)[C@H](C)[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218817	0	50	0.0	-68.90	401.01	1.66	-67.24
CC(CNC(=O)[C@H]1CCCC[N@@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218820	0	54	0.0	-66.92	424.71	2.85	-64.07
CC(CNC(=O)[C@H]1CCCC[N@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218820	1	54	0.0	-68.20	415.66	2.69	-65.51
CC(CNC(=O)C[NH+]1CCC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218864	1	48	0.0	-71.17	392.88	1.69	-69.48
CC(CNC(=O)C=C1CC[N@H+](C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218876	0	52	0.0	-75.19	421.63	2.81	-72.38
CC(CNC(=O)C=C1CC[N@@H+](C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218876	1	52	0.0	-74.81	420.91	2.82	-71.99
CC(CNC(=O)COCC[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218894	0	54	0.0	-70.75	438.89	2.32	-68.43
C=CCC(C)(C(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025218905	0	57	0.0	-64.06	438.39	3.33	-60.73
CC(CNC(=O)CN1CC(C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218936	0	51	0.0	-71.10	413.77	2.35	-68.75
CC(CNC(=O)C[NH+]1CC(C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218936	1	51	0.0	-71.10	413.77	2.35	-68.75
CC(CNC(=O)CN(C)CCO)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218952	0	51	0.0	-70.62	411.10	-1.31	-71.93
CC(CNC(=O)C[N@H+](C)CCO)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218952	1	51	0.0	-71.06	410.64	-1.31	-72.37
CC(CNC(=O)C[N@@H+](C)CCO)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218952	1	51	0.0	-71.06	410.64	-1.31	-72.37
CC[N@@H+]1CCCC(C(=O)NCC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025218969	0	57	0.0	-69.28	445.24	3.55	-65.73
CC[N@H+]1CCCC(C(=O)NCC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025218969	1	57	0.0	-69.28	445.24	3.55	-65.73
CC(CNC(=O)CC(C)C[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218971	0	56	0.0	-73.70	440.15	3.24	-70.46
CC[N@H+](C)CC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218974	0	50	0.0	-69.22	400.84	1.93	-67.29
CC[N@H+](CC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025218997	0	54	0.0	-67.97	428.88	3.28	-64.69
CC[NH+](CC)CCC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219005	0	56	0.0	-70.76	440.97	3.18	-67.58
CC(CNC(=O)CN1CC(C)(C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219018	0	54	0.0	-69.84	433.72	2.87	-66.97
CC(CNC(=O)C[NH+]1CC(C)(C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219018	1	54	0.0	-69.84	433.72	2.87	-66.97
CC(CNC(=O)C=CC[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219033	0	51	0.0	-75.52	418.98	2.48	-73.04
COCCN(C)CC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219046	0	54	0.0	-70.76	432.89	1.09	-69.67
COCC[N@H+](C)CC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219046	1	54	0.0	-70.74	433.35	1.09	-69.65
COCC[N@@H+](C)CC(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219046	1	54	0.0	-70.74	433.35	1.09	-69.65
CC(CNC(=O)C1([NH+](C)C)CCCC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219062	0	57	0.0	-73.03	434.24	3.47	-69.56
CC(CNC(=O)CCC(C)[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219064	0	56	0.0	-70.74	440.37	3.01	-67.73
CCN1CCC1C(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219070	0	51	0.0	-68.55	407.57	1.99	-66.56
CC[N@@H+]1CCC1C(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219070	1	51	0.0	-69.90	414.40	2.29	-67.61
CC[N@H+]1CCC1C(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219070	1	51	0.0	-69.90	414.40	2.29	-67.61
CC(CNC(=O)C1(C)CC[NH+](C)CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219094	0	57	0.0	-66.82	440.37	3.34	-63.48
C=CCC(C(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025219110	0	54	0.0	-66.96	426.69	2.74	-64.22
CC(CNC(=O)C1CC(C)(C)C[N@@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219117	0	57	0.0	-68.38	442.67	2.97	-65.41
CC(CNC(=O)C1CC(C)(C)C[N@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219117	1	57	0.0	-68.38	442.67	2.97	-65.41
CCCC(C(=O)NCC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025219134	0	56	0.0	-68.78	434.93	3.04	-65.74
CC(CNC(=O)C(C)(C)[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219137	0	53	0.0	-71.90	410.25	2.45	-69.45
CC(CNC(=O)C1CCCC[N@@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219157	0	54	0.0	-68.72	424.70	2.85	-65.87
CC(CNC(=O)C1CCCC[N@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219157	1	54	0.0	-68.41	415.43	2.69	-65.72
CC(CNC(=O)CC1=CC[N@H+](C)CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219176	0	55	0.0	-71.05	442.16	3.59	-67.46
CC(CNC(=O)CC1=CC[N@@H+](C)CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219176	1	55	0.0	-69.51	442.15	3.59	-65.92
CC(CNC(=O)C=CC[NH+]1CCCC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219205	0	55	0.0	-74.18	443.67	3.53	-70.65
CC(CNC(=O)C1([NH+](C)C)CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219229	0	51	0.0	-70.07	406.78	2.29	-67.78
CC(CNC(=O)CC[NH+]1CCCC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219230	0	54	0.0	-71.11	431.44	2.98	-68.13
CC(CNC(=O)C1C[NH+]2CCN1CC2)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219250	0	54	0.0	-74.93	418.78	-0.27	-75.20
CC(CNC(=O)C12CC(C1)C[N@@H+]2C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219254	0	52	0.0	-71.59	413.21	2.61	-68.98
CC(CNC(=O)C12CC(C1)C[N@H+]2C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219254	1	52	0.0	-71.27	414.76	2.42	-68.85
CC(CNC(=O)C[N@@H+]1CC2CCC1C2)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219259	0	55	0.0	-67.48	429.74	3.37	-64.11
CC(CNC(=O)C[N@H+]1CC2CCC1C2)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219259	1	55	0.0	-68.90	429.19	3.35	-65.55
CC(CNC(=O)C[N@@H+]1CC2C=CC1C2)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219293	1	53	0.0	-67.68	422.49	3.22	-64.46
CC(CNC(=O)C[N@H+]1CC2C=CC1C2)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219293	1	53	0.0	-67.64	422.35	3.23	-64.41
CC(CNC(=O)C(C)C[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219320	0	53	0.0	-64.69	421.22	2.63	-62.06
CC(CNC(=O)CC1CCCC[N@@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219356	0	57	0.0	-72.05	442.27	3.45	-68.60
CC(CNC(=O)CC1CCCC[N@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219356	1	57	0.0	-73.76	442.01	3.46	-70.30
CC(CNC(=O)C(C)[NH+]1CC(C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219365	1	54	0.0	-68.42	432.85	2.92	-65.50
CC(CNC(=O)C[N@@H+]1CCC1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219367	1	51	0.0	-68.20	414.45	2.33	-65.87
CC(CNC(=O)C[N@H+]1CCC1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219367	1	51	0.0	-68.57	414.30	2.37	-66.20
CC(CNC(=O)CC(O)C[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219369	0	54	0.0	-75.61	435.61	0.30	-75.31
CC(CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219421	0	54	0.0	-72.99	432.74	2.98	-70.01
CC(CNC(=O)C(C)CC[NH+](C)C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219425	0	56	0.0	-72.31	443.06	3.16	-69.15
CC(CNC(=O)CN1CC[NH+](C)CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219440	1	56	0.0	-73.28	441.91	0.78	-72.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CCC[N@@H+]1C	REAL300025219609	0	51	0.0	-69.55	407.23	2.02	-67.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CCC[N@H+]1C	REAL300025219609	1	51	0.0	-71.74	402.21	1.70	-70.04
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1C[N@H+](C)CCO1	REAL300025219635	1	52	0.0	-83.41	415.60	1.41	-82.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1C[N@@H+](C)CCO1	REAL300025219635	1	52	0.0	-84.02	414.70	1.39	-82.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C12CCC[NH+]1CCC2	REAL300025219791	0	55	0.0	-67.31	419.88	2.59	-64.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC1CC[N@H+](C)C1	REAL300025219812	0	54	0.0	-76.02	429.56	2.82	-73.20
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC1CC[N@@H+](C)C1	REAL300025219812	1	54	0.0	-75.84	429.65	2.82	-73.02
CCC(C(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025219818	0	53	0.0	-70.41	410.43	2.25	-68.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CCCC[NH+](C)C	REAL300025219847	0	56	0.0	-75.72	448.38	3.36	-72.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C(C(C)C)[NH+](C)C	REAL300025219859	0	56	0.0	-71.27	425.60	2.83	-68.44
CCC[N@H+](C)CCC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025219860	0	56	0.0	-74.79	444.37	3.20	-71.59
CCC[N@@H+](C)CCC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025219860	1	56	0.0	-74.83	444.10	3.20	-71.63
CCC[N@H+](C)CC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025219863	0	53	0.0	-72.59	422.24	2.60	-69.99
CCC[N@@H+](C)CC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025219863	1	53	0.0	-72.26	422.01	2.59	-69.67
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C12CC[N@H+](C1)CCC2	REAL300025219872	0	55	0.0	-79.33	414.77	2.05	-77.28
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C12CC[N@@H+](C1)CCC2	REAL300025219872	1	55	0.0	-74.09	415.62	2.05	-72.04
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[NH+]1CCC(C)CC1	REAL300025219896	0	57	0.0	-73.43	446.17	3.67	-69.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1(C[NH+](C)C)CC1	REAL300025219933	0	54	0.0	-73.77	430.34	2.77	-71.00
CC[N@H+](C)CCC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025219950	0	53	0.0	-73.97	422.88	2.46	-71.51
CC[N@@H+](C)CCC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025219950	1	53	0.0	-74.66	423.20	2.43	-72.23
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1C[NH+]2CCC1CC2	REAL300025219961	0	55	0.0	-79.70	420.54	2.73	-76.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CC[NH+](C)CC1	REAL300025219998	0	54	0.0	-76.94	423.40	2.70	-74.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C	REAL300025220013	0	56	0.0	-69.83	425.91	2.66	-67.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1([NH+](C)C)CCC1	REAL300025220073	0	54	0.0	-76.01	415.00	2.44	-73.57
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@@H+]1CCCC1C	REAL300025220107	0	54	0.0	-68.88	421.48	2.56	-66.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@H+]1CCCC1C	REAL300025220107	1	54	0.0	-68.71	421.44	2.55	-66.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CCC[N@@H+]1C(C)C	REAL300025220133	0	57	0.0	-67.67	437.64	3.11	-64.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CCC[N@H+]1C(C)C	REAL300025220133	1	57	0.0	-69.96	434.29	3.56	-66.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C	REAL300025220140	0	56	0.0	-69.81	423.98	2.63	-67.18
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@@H+]1CCC(C)C1	REAL300025220150	0	54	0.0	-71.66	427.71	2.91	-68.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@H+]1CCC(C)C1	REAL300025220150	1	54	0.0	-72.00	428.38	2.94	-69.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025220151	0	57	0.0	-72.28	448.68	3.43	-68.85
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300025220151	1	57	0.0	-71.31	447.54	3.43	-67.88
CC[C@@H](C(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025220158	0	53	0.0	-70.86	412.61	2.23	-68.63
CC1=[NH+]C=CN1CC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220236	1	49	0.0	-68.57	411.94	2.78	-65.79
CC1=C[NH+]=CN1CC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220294	1	49	0.0	-71.74	411.72	3.48	-68.26
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025220298	0	54	0.0	-73.79	417.51	2.72	-71.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025220298	1	54	0.0	-73.77	416.36	2.59	-71.18
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025220300	0	57	0.0	-73.46	439.79	2.84	-70.62
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025220300	1	57	0.0	-72.42	439.64	3.18	-69.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[NH+]1C(C)CCC1C	REAL300025220305	0	57	0.0	-68.02	436.59	3.08	-64.94
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CCC[NH+]1CCCC1	REAL300025220307	0	57	0.0	-73.09	452.61	3.77	-69.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC[NH+]1CCCCC1	REAL300025220310	0	57	0.0	-73.52	446.33	3.62	-69.90
CC[N@@H+]1CCCCC1C(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220313	0	57	0.0	-68.62	428.93	2.92	-65.70
CC[N@H+]1CCCCC1C(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220313	1	57	0.0	-67.64	440.54	3.33	-64.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@H+](C)C1CCC1	REAL300025220390	0	54	0.0	-70.32	428.90	3.15	-67.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@@H+](C)C1CCC1	REAL300025220390	1	54	0.0	-70.46	429.33	3.16	-67.30
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CC[NH+](C)CC1	REAL300025220410	0	54	0.0	-76.94	423.40	2.70	-74.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)[C@H]1CCC[N@@H+]1C	REAL300025220432	0	51	0.0	-69.40	403.19	1.96	-67.44
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)[C@H]1CCC[N@H+]1C	REAL300025220432	1	51	0.0	-71.02	402.06	1.70	-69.32
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220449	1	53	0.0	-69.13	424.37	2.96	-66.17
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220449	1	53	0.0	-70.30	431.71	3.31	-66.99
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CCC1CCC[N@@H+]1C	REAL300025220454	0	57	0.0	-71.70	444.71	3.25	-68.45
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CCC1CCC[N@H+]1C	REAL300025220454	1	57	0.0	-76.74	450.40	3.72	-73.02
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CCCC[N@@H+]1C	REAL300025220513	0	54	0.0	-69.86	411.18	2.28	-67.58
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CCCC[N@H+]1C	REAL300025220513	1	54	0.0	-69.07	423.46	2.78	-66.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CC[N@H+](C)C1C	REAL300025220558	0	54	0.0	-73.76	417.49	2.70	-71.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CC[N@@H+](C)C1C	REAL300025220558	1	54	0.0	-73.84	419.08	2.47	-71.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025220605	0	57	0.0	-69.54	424.99	2.12	-67.42
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300025220605	1	57	0.0	-69.16	441.57	2.76	-66.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)[C@H](C)[NH+](C)C	REAL300025220617	0	50	0.0	-71.03	398.58	1.56	-69.47
C=CCC(C)(C(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025220629	0	57	0.0	-65.67	426.10	2.70	-62.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC[NH+]1CCCC1	REAL300025220641	0	54	0.0	-73.54	431.11	2.95	-70.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@H+](C)CCO	REAL300025220647	1	51	0.0	-72.72	410.59	-1.39	-74.11
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@@H+](C)CCO	REAL300025220647	1	51	0.0	-73.11	410.87	-1.39	-74.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC1=CC[N@H+](C)CC1	REAL300025220692	0	55	0.0	-71.31	442.16	3.56	-67.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC1=CC[N@@H+](C)CC1	REAL300025220692	1	55	0.0	-69.23	441.91	3.56	-65.67
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[NH+]1CC(C)C1	REAL300025220732	1	51	0.0	-72.92	414.37	2.27	-70.65
CC[N@@H+]1CCCC(C(=O)N(C)CC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025220737	0	57	0.0	-65.51	436.03	3.51	-62.00
CC[N@H+]1CCCC(C(=O)N(C)CC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025220737	1	57	0.0	-71.65	441.09	3.29	-68.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CCC[N@@H+]1C1CC1	REAL300025220748	0	55	0.0	-67.40	436.21	3.50	-63.90
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CCC[N@H+]1C1CC1	REAL300025220748	1	55	0.0	-70.22	432.60	3.01	-67.21
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C=CC[NH+]1CCCC1	REAL300025220767	0	55	0.0	-75.52	442.50	3.49	-72.03
CC[N@H+](C)CC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220802	0	50	0.0	-72.25	400.74	1.85	-70.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CN1CC2C=CC1C2	REAL300025220829	0	53	0.0	-70.41	422.60	3.18	-67.23
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025220829	1	53	0.0	-71.02	422.50	3.18	-67.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@H+]1CC2C=CC1C2	REAL300025220829	1	53	0.0	-71.02	422.50	3.18	-67.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1C[NH+]2CCN1CC2	REAL300025220871	0	54	0.0	-78.60	415.66	-0.72	-79.32
COCCN(C)CC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220902	0	54	0.0	-72.85	433.13	1.01	-71.84
COCC[N@H+](C)CC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220902	1	54	0.0	-72.99	432.84	1.01	-71.98
COCC[N@@H+](C)CC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220902	1	54	0.0	-72.99	432.84	1.01	-71.98
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CCC(C)[NH+](C)C	REAL300025220905	0	56	0.0	-72.78	440.37	2.98	-69.80
CC[N@H+](CC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025220917	0	54	0.0	-69.74	429.52	3.22	-66.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C12CC(C1)C[N@@H+]2C	REAL300025220941	0	52	0.0	-75.57	409.55	2.49	-73.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@@H+]1CC2CCC1C2	REAL300025220948	0	55	0.0	-69.56	427.43	3.08	-66.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@H+]1CC2CCC1C2	REAL300025220948	1	55	0.0	-69.56	427.43	3.08	-66.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C(C)C[NH+](C)C	REAL300025220961	0	53	0.0	-73.80	415.99	2.20	-71.60
CCN1CCC1C(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220988	0	51	0.0	-72.28	413.05	2.06	-70.22
CC[N@@H+]1CCC1C(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220988	1	51	0.0	-69.64	406.34	1.82	-67.82
CC[N@H+]1CCC1C(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025220988	1	51	0.0	-69.64	406.34	1.82	-67.82
CCCC(C(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025221022	0	56	0.0	-69.90	428.77	2.74	-67.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C(C)(C)[NH+](C)C	REAL300025221026	0	53	0.0	-75.48	401.50	2.24	-73.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C(C)CC[NH+](C)C	REAL300025221039	0	56	0.0	-73.55	437.63	2.82	-70.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025221086	0	57	0.0	-69.14	448.63	3.18	-65.96
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300025221086	1	57	0.0	-69.14	448.63	3.18	-65.96
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CN1CCN(C)CC1	REAL300025221093	0	56	0.0	-72.87	442.15	0.70	-72.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CN1CC[NH+](C)CC1	REAL300025221093	1	56	0.0	-72.87	442.15	0.70	-72.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[NH+]1CC2CC2C1	REAL300025221155	0	52	0.0	-72.65	418.36	3.06	-69.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CCCC[N@@H+]1C	REAL300025221170	0	54	0.0	-69.86	411.18	2.28	-67.58
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CCCC[N@H+]1C	REAL300025221170	1	54	0.0	-69.07	423.46	2.78	-66.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C=C1CC[N@H+](C)C1	REAL300025221225	0	52	0.0	-75.50	420.52	2.75	-72.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C=C1CC[N@@H+](C)C1	REAL300025221225	1	52	0.0	-76.31	420.08	2.77	-73.54
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CNC1=CC=[NH+]C=C1	REAL300025221227	0	50	0.0	-73.22	418.73	0.46	-72.76
CC(CNC(=O)CSC1=NC(=O)NN1)CN(C)C(=O)CN=[N+]=[N-]	REAL300025221250	0	41	0.0	-24.37	359.98	-3.22	-27.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1([NH+](C)C)CCCC1	REAL300025221276	0	57	0.0	-75.31	424.24	2.98	-72.33
CCC1C[NH+](CC(=O)N(C)CC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025221283	0	54	0.0	-73.18	435.41	3.04	-70.14
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025221292	0	51	0.0	-71.54	398.15	1.62	-69.92
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)[C@@H]1CCC[N@H+]1C	REAL300025221292	1	51	0.0	-70.10	408.66	2.07	-68.03
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025221366	0	54	0.0	-74.02	432.40	2.92	-71.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1(CC[NH+](C)C)CC1	REAL300025221373	0	57	0.0	-76.33	454.66	3.60	-72.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC1CC=CC[N@@H+]1C	REAL300025221374	0	55	0.0	-66.30	428.68	3.22	-63.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC1CC=CC[N@H+]1C	REAL300025221374	1	55	0.0	-76.72	433.99	3.29	-73.43
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)COCC[NH+](C)C	REAL300025221401	0	54	0.0	-72.63	438.88	2.32	-70.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CN1C=CSC1=[NH2+]	REAL300025221424	0	47	0.0	-68.40	409.58	1.36	-67.04
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CCC[N@H+](C)C1	REAL300025221476	0	54	0.0	-74.03	425.04	2.66	-71.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1CCC[N@@H+](C)C1	REAL300025221476	1	54	0.0	-74.03	425.04	2.66	-71.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[NH+]1CCCCCC1	REAL300025221477	0	57	0.0	-72.08	434.18	3.23	-68.85
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N+]1=CN(C)C=C1	REAL300025221479	0	49	0.0	-69.63	414.01	4.69	-64.94
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@H+](C)C1CC1	REAL300025221498	0	51	0.0	-69.57	412.28	2.61	-66.96
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC(C)C[NH+](C)C	REAL300025221512	0	56	0.0	-74.72	440.20	3.24	-71.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC1C[NH+](C)C1	REAL300025221603	0	51	0.0	-73.14	414.22	2.05	-71.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC[N@H+](C)CCO	REAL300025221625	0	54	0.0	-73.38	433.18	-0.77	-74.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC[N@@H+](C)CCO	REAL300025221625	1	54	0.0	-73.38	433.18	-0.77	-74.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC1CCCC[N@@H+]1C	REAL300025221639	0	57	0.0	-66.11	434.76	3.29	-62.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC1CCCC[N@H+]1C	REAL300025221639	1	57	0.0	-66.11	434.76	3.29	-62.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CN1CCC1C	REAL300025221651	0	51	0.0	-70.59	408.89	1.98	-68.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@@H+]1CCC1C	REAL300025221651	1	51	0.0	-70.99	413.79	2.24	-68.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[N@H+]1CCC1C	REAL300025221651	1	51	0.0	-70.99	413.79	2.24	-68.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C=CC[NH+](C)C	REAL300025221657	0	51	0.0	-76.73	418.90	2.46	-74.27
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CN1CC(C)(C)C1	REAL300025221662	0	54	0.0	-72.79	433.42	2.76	-70.03
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[NH+]1CC(C)(C)C1	REAL300025221662	1	54	0.0	-72.79	433.42	2.76	-70.03
CC[NH+](CC)CC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025221696	0	53	0.0	-70.87	418.84	2.54	-68.33
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CN1CCC1	REAL300025221705	0	48	0.0	-72.35	392.61	1.60	-70.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C[NH+]1CCC1	REAL300025221705	1	48	0.0	-72.35	392.61	1.60	-70.75
CC[NH+](CC)CCC(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025221732	0	56	0.0	-73.71	440.96	3.15	-70.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C(C)N1CCC1	REAL300025221782	0	51	0.0	-70.03	408.03	2.11	-67.92
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C(C)[NH+]1CCC1	REAL300025221782	1	51	0.0	-70.03	408.03	2.11	-67.92
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C(C)(C)C[NH+](C)C	REAL300025221791	0	56	0.0	-68.81	420.49	2.39	-66.42
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025221818	0	54	0.0	-70.39	411.54	2.29	-68.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)CC(O)C[NH+](C)C	REAL300025221835	0	54	0.0	-78.17	435.71	0.22	-77.95
C=CCC(C(=O)N(C)CC(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025221854	0	54	0.0	-68.41	421.03	2.46	-65.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1(C)CC[NH+](C)CC1	REAL300025221864	0	57	0.0	-71.52	431.15	2.74	-68.78
CC(CNC(=O)CSC(N)=[NH2+])CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025221885	0	45	0.0	-71.61	391.54	-1.87	-73.48
CC(CNC(=O)C1(CC[NH+](C)C)CC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025221905	0	57	0.0	-68.37	457.44	3.78	-64.59
CC(CNC(=O)CC1CC=CC[N@@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025221906	0	55	0.0	-72.69	434.24	3.31	-69.38
CC(CNC(=O)CC1CC=CC[N@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025221906	1	55	0.0	-72.69	434.24	3.31	-69.38
CCC1C[NH+](CC(=O)NCC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025221984	1	54	0.0	-71.95	435.18	3.11	-68.84
CC(CNC(=O)[C@@H]1CCC[N@H+]1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025221989	1	51	0.0	-67.08	408.91	2.29	-64.79
CC(CNC(=O)C[NH+]1CCCCC1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222002	0	54	0.0	-69.04	425.21	3.14	-65.90
CC(CNC(=O)C1CC[N@H+](C)C1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222006	0	54	0.0	-69.46	428.78	2.81	-66.65
CC(CNC(=O)C1CC[N@@H+](C)C1C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222006	1	54	0.0	-72.53	425.77	2.54	-69.99
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1CCC[N@@H+]1C	REAL300025222181	0	55	0.0	-71.70	415.86	3.88	-67.82
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1CCC[N@H+]1C	REAL300025222181	1	55	0.0	-71.42	420.15	3.97	-67.45
CCC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025222281	0	57	0.0	-70.29	430.72	4.51	-65.78
CCC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222286	0	57	0.0	-72.18	440.33	4.88	-67.30
CCC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222286	1	57	0.0	-72.28	440.36	4.87	-67.41
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300025222294	0	55	0.0	-69.13	423.32	4.33	-64.80
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)[C@H]1CCC[N@H+]1C	REAL300025222294	1	55	0.0	-71.38	420.30	4.01	-67.37
CC[NH+](CC)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222299	0	57	0.0	-70.40	436.93	4.82	-65.58
CC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222355	0	57	0.0	-73.43	440.96	4.71	-68.72
CC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222355	1	57	0.0	-73.38	440.76	4.73	-68.65
CC[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025222358	0	57	0.0	-68.60	425.43	4.24	-64.36
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[NH+](C)C	REAL300025222376	0	51	0.0	-72.57	401.10	3.47	-69.10
CC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025222380	1	55	0.0	-69.82	427.80	4.38	-65.44
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[N@H+](C)C1CC1	REAL300025222386	0	55	0.0	-69.39	430.27	4.86	-64.53
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[N@@H+](C)C1CC1	REAL300025222386	1	55	0.0	-69.26	430.37	4.88	-64.38
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)CC1C[NH+](C)C1	REAL300025222392	0	55	0.0	-73.02	432.54	4.33	-68.69
C[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025222399	0	54	0.0	-70.21	413.47	3.70	-66.51
CN(CC1CCN(C(=O)CSC2=NC(=O)NN2)CC1)C(=O)CN=[N+]=[N-]	REAL300025222402	0	45	0.0	-23.39	378.06	-0.93	-24.32
C[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025222420	0	54	0.0	-70.21	413.47	3.70	-66.51
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C[NH+]1CCC1	REAL300025222438	1	52	0.0	-72.32	411.20	3.89	-68.43
C[C@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025222449	0	54	0.0	-70.32	417.54	3.82	-66.50
CC1C[NH+](CC(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025222455	1	55	0.0	-72.17	432.18	4.56	-67.61
CC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222472	0	54	0.0	-71.90	418.86	4.14	-67.76
CC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222472	1	54	0.0	-71.83	418.83	4.15	-67.68
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C=CC[NH+](C)C	REAL300025222488	0	55	0.0	-76.33	437.50	4.75	-71.58
CC[N@@H+]1CCC1C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222494	1	55	0.0	-71.52	431.23	4.35	-67.17
CC[N@H+]1CCC1C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222494	1	55	0.0	-71.74	431.05	4.35	-67.39
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C(C)(C)[NH+](C)C	REAL300025222507	0	57	0.0	-73.85	419.57	4.52	-69.33
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1([NH+](C)C)CC1	REAL300025222529	0	55	0.0	-74.89	421.47	4.05	-70.84
CC(C[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222551	0	57	0.0	-73.65	437.44	4.57	-69.08
CC1CC[N@@H+]1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222560	1	55	0.0	-69.51	427.28	4.35	-65.16
CC1CC[N@H+]1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222560	1	55	0.0	-69.96	426.91	4.26	-65.70
CN(CC1CCN(C(=O)C2CCC[N@@H+]2C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222669	0	55	0.0	-60.75	422.57	4.29	-56.46
CN(CC1CCN(C(=O)C2CCC[N@H+]2C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222669	1	55	0.0	-69.87	419.75	3.98	-65.89
CCC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025222740	0	57	0.0	-61.07	425.55	4.23	-56.84
CCC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222744	0	57	0.0	-63.16	440.09	4.84	-58.32
CCC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222744	1	57	0.0	-63.07	440.10	4.85	-58.22
CC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222761	0	57	0.0	-65.38	441.01	4.72	-60.66
CC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222761	1	57	0.0	-65.18	441.01	4.70	-60.48
CC[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025222801	0	57	0.0	-61.06	425.25	4.24	-56.82
CN(CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222847	0	55	0.0	-60.61	422.37	4.22	-56.39
CN(CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222847	1	55	0.0	-60.26	419.05	3.98	-56.28
C[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025222901	0	54	0.0	-62.17	417.63	3.85	-58.32
CC1C[NH+](CC(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025222925	1	55	0.0	-63.21	432.19	4.54	-58.67
CC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222943	0	54	0.0	-62.85	418.60	4.11	-58.74
CC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222943	1	54	0.0	-62.78	418.59	4.10	-58.68
CC(C[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222973	0	57	0.0	-77.82	438.13	4.52	-73.30
CN(CC1CCN(C(=O)C2([NH+](C)C)CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222976	0	55	0.0	-60.82	419.92	3.89	-56.93
C[C@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025222980	0	54	0.0	-60.99	416.92	3.77	-57.22
CC[N@@H+]1CCC1C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222983	0	55	0.0	-72.89	431.81	4.36	-68.53
CC[N@H+]1CCC1C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025222983	1	55	0.0	-74.36	432.09	4.42	-69.94
CN(CC1CCN(C(=O)C(C)(C)[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222991	0	57	0.0	-58.33	420.72	3.96	-54.37
CN(CC1CCN(C(=O)CN=[N+]=[N-])CC1)C(=O)CSC1=NC(=O)NN1	REAL300025223037	0	45	0.0	-25.53	377.61	-0.97	-26.50
CN(CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025223050	0	55	0.0	-62.83	419.31	3.97	-58.86
CN(CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025223050	1	55	0.0	-70.34	426.44	4.36	-65.98
CN(CC1CCN(C(=O)C[N@H+](C)C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025223087	0	55	0.0	-61.17	430.32	4.86	-56.31
CN(CC1CCN(C(=O)C[N@@H+](C)C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025223087	1	55	0.0	-70.34	430.38	4.85	-65.49
CN(CC1CCN(C(=O)CC2C[NH+](C)C2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025223115	0	55	0.0	-74.62	432.43	4.31	-70.31
CN(CC1CCN(C(=O)C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025223118	0	51	0.0	-63.93	400.91	3.45	-60.48
C[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025223121	0	54	0.0	-62.17	417.63	3.85	-58.32
CC1CC[N@@H+]1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025223128	0	55	0.0	-71.79	432.45	4.51	-67.28
CC1CC[N@H+]1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025223128	1	55	0.0	-61.34	427.06	4.32	-57.02
CN(CC1CCN(C(=O)C=CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025223129	0	55	0.0	-81.30	435.79	4.68	-76.62
CC[NH+](CC)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025223135	0	57	0.0	-61.61	432.50	4.52	-57.09
CN(CC1CCN(C(=O)C[NH+]2CCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025223136	1	52	0.0	-73.88	411.20	3.86	-70.02
CC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025223158	0	55	0.0	-71.40	428.09	4.30	-67.10
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025223226	0	55	0.0	-71.22	416.38	3.89	-67.33
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300025223226	1	55	0.0	-69.06	424.94	4.29	-64.77
C[NH+](C)CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025223378	0	52	0.0	-71.67	408.35	3.18	-68.49
C[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025223383	0	55	0.0	-73.13	430.01	2.96	-70.17
[N-]=[N+]=NCC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300025223386	0	46	0.0	-24.50	388.81	-1.85	-26.35
C[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025223396	0	55	0.0	-73.13	430.01	2.96	-70.17
O=C(C[NH+]1CCC1)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025223404	1	53	0.0	-74.77	421.96	2.97	-71.80
C[C@H](C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025223409	0	55	0.0	-72.94	430.00	2.95	-69.99
CC[N@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025223421	0	55	0.0	-74.28	429.57	3.21	-71.07
CC[N@@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025223421	1	55	0.0	-70.98	426.04	3.81	-67.17
C[C@@H](C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025223567	0	55	0.0	-70.31	427.50	2.75	-67.56
CC[N@H+](C)CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025223586	0	55	0.0	-67.94	426.06	3.74	-64.20
CC[N@@H+](C)CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025223586	1	55	0.0	-70.98	426.16	3.71	-67.27
C[C@H](C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025223599	0	55	0.0	-70.98	428.20	2.79	-68.19
[N-]=[N+]=NCC(=O)N1CCC2(CC(NC(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025223624	0	46	0.0	-24.54	388.81	-1.95	-26.49
C[NH+](C)CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025223655	0	52	0.0	-72.95	411.79	2.43	-70.52
C[C@@H](C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025223658	0	55	0.0	-70.31	427.50	2.75	-67.56
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CCN(C(=O)C[NH+]1CCC1)CC2	REAL300025223665	1	53	0.0	-72.80	421.89	2.85	-69.95
C[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025223863	0	49	0.0	-70.75	377.63	3.33	-67.42
C[N@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025223863	1	49	0.0	-58.36	381.08	3.26	-55.10
C[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025223887	1	50	0.0	-74.16	388.08	2.91	-71.25
C[N@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025223887	1	50	0.0	-76.31	384.06	2.82	-73.49
CC(C)[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224031	0	55	0.0	-69.80	410.22	4.86	-64.94
CC(C)[N@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224031	1	55	0.0	-62.74	418.34	4.39	-58.35
CC1=[NH+]C=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224054	1	47	0.0	-71.83	391.10	4.39	-67.44
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300025224074	0	53	0.0	-73.99	397.73	4.29	-69.70
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025224102	0	52	0.0	-65.64	385.43	3.18	-62.46
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025224102	1	52	0.0	-61.11	396.35	3.67	-57.44
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025224104	0	55	0.0	-64.90	411.59	3.92	-60.98
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025224104	1	55	0.0	-68.72	420.47	4.59	-64.13
CC[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025224109	1	53	0.0	-61.61	406.58	3.22	-58.39
CC[N@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025224109	1	53	0.0	-74.20	408.44	3.29	-70.91
CC1CCC(C)[NH+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224154	0	55	0.0	-71.69	419.65	4.84	-66.85
O=C(CCC[NH+]1CCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224156	0	55	0.0	-75.21	429.89	5.25	-69.96
O=C(CC[NH+]1CCCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224159	0	55	0.0	-68.22	422.27	4.90	-63.32
CC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224162	0	55	0.0	-69.69	406.52	4.29	-65.40
CC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224162	1	55	0.0	-70.47	418.06	4.91	-65.56
C[NH+](C)C1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300025224172	0	52	0.0	-72.18	386.44	3.83	-68.35
CC(C)[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025224178	0	54	0.0	-59.73	395.88	3.97	-55.76
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025224196	0	52	0.0	-73.51	407.78	4.76	-68.75
C[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025224196	1	52	0.0	-73.69	407.92	4.77	-68.92
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224250	1	51	0.0	-59.24	404.32	4.18	-55.06
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224250	1	51	0.0	-71.61	404.67	4.70	-66.91
C[N@@H+]1CCCC1CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224255	0	55	0.0	-77.57	429.07	5.31	-72.26
C[N@H+]1CCCC1CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224255	1	55	0.0	-64.94	420.09	4.49	-60.45
C[NH+]1CCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025224271	0	52	0.0	-78.21	402.14	4.27	-73.94
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224298	0	52	0.0	-68.02	397.82	4.20	-63.82
C[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224298	1	52	0.0	-71.74	400.28	4.27	-67.47
O=C(CC[NH+]1CCOCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224351	1	53	0.0	-70.86	413.53	2.48	-68.38
CC1=C[NH+]=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224363	1	47	0.0	-73.75	391.48	5.12	-68.63
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300025224379	0	53	0.0	-65.12	388.44	3.52	-61.60
C[N@@H+]1CCC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025224384	0	52	0.0	-76.99	408.00	4.43	-72.56
C[N@H+]1CCC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025224384	1	52	0.0	-76.15	408.10	4.43	-71.72
CCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025224390	0	51	0.0	-71.91	383.45	3.51	-68.40
C[NH+](C)CCCCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224437	0	54	0.0	-69.27	423.64	4.60	-64.67
CC(C)C(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025224448	0	54	0.0	-70.72	402.41	4.22	-66.50
CCC[N@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224449	0	54	0.0	-62.93	419.89	4.42	-58.51
CCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224449	1	54	0.0	-69.84	419.87	4.44	-65.40
CCC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224452	0	51	0.0	-75.95	400.92	4.18	-71.77
CCC[N@@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224452	1	51	0.0	-75.97	400.91	4.19	-71.78
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300025224465	0	53	0.0	-67.19	387.79	3.17	-64.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300025224465	1	53	0.0	-78.99	389.29	3.41	-75.58
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224487	0	49	0.0	-54.70	375.35	2.90	-51.80
C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224487	1	49	0.0	-58.38	380.91	3.24	-55.14
CC[NH+](CC)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224514	0	51	0.0	-65.37	389.86	3.50	-61.87
CC1CC[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025224567	0	55	0.0	-60.69	420.87	4.88	-55.81
C[NH+](C)CC1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025224585	0	52	0.0	-71.99	405.45	4.23	-67.76
C[NH+]1CCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025224631	0	52	0.0	-78.21	402.14	4.27	-73.94
CC(C)[C@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025224646	0	54	0.0	-74.17	405.76	4.35	-69.82
CCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](CC)CC	REAL300025224673	0	57	0.0	-67.40	421.85	4.99	-62.41
CC[N@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224703	0	51	0.0	-62.36	398.39	3.66	-58.70
CC[N@@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224703	1	51	0.0	-61.75	398.39	3.68	-58.07
CC1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224726	0	52	0.0	-71.98	400.37	4.16	-67.82
CC1CCC[N@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224726	1	52	0.0	-65.36	396.93	3.80	-61.56
CC1CC[N@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025224727	0	52	0.0	-66.55	404.39	4.14	-62.41
CC1CC[N@@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025224727	1	52	0.0	-67.85	403.56	4.11	-63.74
CC1(C)CC[N@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025224729	0	55	0.0	-60.08	423.50	4.64	-55.44
CC1(C)CC[N@@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025224729	1	55	0.0	-67.18	423.51	4.65	-62.53
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300025224730	0	57	0.0	-75.59	431.82	5.34	-70.25
C[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300025224730	1	57	0.0	-75.41	431.82	5.34	-70.07
CC[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025224737	0	51	0.0	-71.90	383.48	3.52	-68.38
C[NH+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224809	0	45	0.0	-67.86	358.27	2.42	-65.44
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300025224812	0	55	0.0	-59.30	409.26	4.46	-54.84
CN1C=C[N+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300025224815	0	47	0.0	-73.16	392.92	6.30	-66.86
C[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025224819	0	52	0.0	-59.92	391.57	4.15	-55.77
C[N@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025224819	1	52	0.0	-75.12	402.20	4.23	-70.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300025224824	0	53	0.0	-68.74	413.23	4.90	-63.84
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300025224824	1	53	0.0	-56.93	399.83	4.31	-52.62
CC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025224836	1	49	0.0	-68.07	384.51	3.26	-64.81
CCC(CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025224840	0	57	0.0	-69.83	425.42	4.83	-65.00
C[NH+](C)CC(C)(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224845	0	54	0.0	-74.88	393.60	3.72	-71.16
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCC(O)CC2)CC1	REAL300025224856	1	53	0.0	-80.70	414.92	1.32	-79.38
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025224857	0	49	0.0	-72.59	390.97	4.19	-68.40
C[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025224857	1	49	0.0	-72.42	390.97	4.18	-68.24
C[NH+]1CC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025224871	0	49	0.0	-75.60	393.13	3.64	-71.96
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224881	0	55	0.0	-66.06	417.72	4.01	-62.05
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224881	1	55	0.0	-70.66	421.81	4.45	-66.21
C[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025224891	0	48	0.0	-69.56	375.29	3.06	-66.50
[N-]=[N+]=NCC(=O)N1CCCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025224898	0	39	0.0	-26.62	335.24	-1.97	-28.59
[NH2+]=C1SC=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224940	0	45	0.0	-71.60	388.77	2.97	-68.63
C[N@H+](CCO)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224945	0	52	0.0	-60.59	408.74	0.47	-60.12
C[N@@H+](CCO)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224945	1	52	0.0	-66.91	408.70	0.45	-66.46
C[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025224946	0	48	0.0	-69.56	375.29	3.06	-66.50
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224949	0	52	0.0	-75.48	390.05	3.90	-71.58
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025224949	1	52	0.0	-60.35	399.86	4.03	-56.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCC2)CC1	REAL300025224994	1	46	0.0	-76.16	371.83	3.21	-72.95
C[N@@H+]1CCC(=CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225008	0	50	0.0	-67.77	397.93	4.04	-63.73
C[N@H+]1CCC(=CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225008	1	50	0.0	-70.44	397.92	4.04	-66.40
C[NH+](C)CCOCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225028	0	52	0.0	-69.99	414.14	3.55	-66.44
C=CCC(C)(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025225039	0	55	0.0	-66.56	388.87	3.98	-62.58
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225056	0	53	0.0	-70.47	395.07	-0.38	-70.85
CC1CN(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225073	0	49	0.0	-67.90	389.55	3.51	-64.39
CC1C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225073	1	49	0.0	-67.90	389.55	3.51	-64.39
CN(CCO)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225090	0	49	0.0	-76.04	389.77	0.21	-75.83
C[N@H+](CCO)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225090	1	49	0.0	-76.09	389.56	0.23	-75.86
C[N@@H+](CCO)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225090	1	49	0.0	-76.09	389.56	0.23	-75.86
CC[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225109	0	55	0.0	-73.39	419.87	4.89	-68.50
CC[N@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225109	1	55	0.0	-73.39	419.87	4.89	-68.50
CC(CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025225111	0	54	0.0	-67.03	415.46	4.47	-62.56
CC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225114	0	48	0.0	-75.56	379.45	3.44	-72.12
CC[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025225138	0	52	0.0	-71.69	410.79	4.86	-66.83
CC[NH+](CC)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225146	0	54	0.0	-69.49	411.87	4.12	-65.37
C[NH+]1CCC(=CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025225153	0	53	0.0	-62.82	412.54	4.79	-58.03
CC1(C)C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225160	1	52	0.0	-76.08	412.13	4.36	-71.72
CC1(O)CC[N@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225176	0	53	0.0	-65.68	414.20	0.84	-64.84
CC1(O)CC[N@@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225176	1	53	0.0	-75.94	418.22	1.20	-74.74
C[NH+](C)CC=CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225179	0	49	0.0	-78.22	396.57	4.01	-74.21
COCC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225192	1	52	0.0	-76.02	411.81	2.63	-73.39
COCC[N@@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225192	1	52	0.0	-76.32	412.02	2.61	-73.71
C[NH+](C)C1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300025225209	0	55	0.0	-58.67	386.52	2.79	-55.88
CC(CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025225211	0	54	0.0	-67.85	411.92	4.20	-63.65
CC[N@@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225217	1	49	0.0	-72.64	385.60	3.49	-69.15
CC[N@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225217	1	49	0.0	-73.99	391.91	3.74	-70.25
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@H+]2CCCC2CO)CC1	REAL300025225227	0	53	0.0	-75.23	416.32	1.44	-73.79
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@@H+]2CCCC2CO)CC1	REAL300025225227	1	53	0.0	-67.75	404.04	0.96	-66.79
C[NH+]1CCC(C)(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025225243	0	55	0.0	-56.68	401.67	3.70	-52.98
C=CCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025225259	0	52	0.0	-74.13	402.78	4.32	-69.81
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225266	0	55	0.0	-63.01	420.31	4.32	-58.69
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225266	1	55	0.0	-71.72	423.32	4.80	-66.92
C[NH+](C)CCCCCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225268	0	57	0.0	-69.28	445.14	5.39	-63.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300025225273	0	50	0.0	-75.82	397.05	4.66	-71.16
CCCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025225285	0	54	0.0	-72.56	409.64	4.53	-68.03
C[NH+](C)C(C)(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225288	0	51	0.0	-72.61	376.92	3.07	-69.54
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225311	0	52	0.0	-68.02	397.82	4.20	-63.82
C[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225311	1	52	0.0	-71.74	400.28	4.27	-67.47
C[N@H+]1CC=C(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025225330	0	53	0.0	-72.90	420.81	5.14	-67.76
C[N@@H+]1CC=C(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025225330	1	53	0.0	-64.74	417.37	4.78	-59.96
O=C(C=CC[NH+]1CCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225360	0	53	0.0	-77.17	422.91	5.21	-71.96
C[NH+](C)C1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025225386	0	49	0.0	-69.27	377.21	2.81	-66.46
O=C(CC[NH+]1CCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225387	0	52	0.0	-68.07	406.59	4.18	-63.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2C[NH+]3CCN2CC3)CC1	REAL300025225408	0	52	0.0	-80.94	390.03	0.69	-80.25
C[N@@H+]1CC2CC1(C(=O)N1CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025225412	0	50	0.0	-68.76	379.91	4.09	-64.67
C[N@H+]1CC2CC1(C(=O)N1CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025225412	1	50	0.0	-64.78	380.19	3.41	-61.37
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300025225417	0	53	0.0	-72.69	405.57	4.67	-68.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300025225417	1	53	0.0	-59.82	404.66	4.51	-55.31
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300025225452	1	51	0.0	-73.72	401.08	4.78	-68.94
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300025225452	1	51	0.0	-74.01	401.12	4.77	-69.24
CC(C[NH+](C)C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225482	0	51	0.0	-79.43	397.75	3.89	-75.54
C[N@@H+]1CCCCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225521	0	55	0.0	-67.86	413.42	4.88	-62.98
C[N@H+]1CCCCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225521	1	55	0.0	-68.25	417.71	4.67	-63.58
CC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300025225530	0	52	0.0	-65.88	402.19	3.78	-62.10
CC1CC[N@@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225532	1	49	0.0	-73.41	387.48	3.59	-69.82
CC1CC[N@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225532	1	49	0.0	-73.18	387.46	3.60	-69.58
C[NH+](C)CC(O)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225534	0	52	0.0	-71.71	410.98	1.45	-70.26
CC1C[N@H+](C)CC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025225551	1	53	0.0	-86.40	415.04	3.51	-82.89
CC1C[N@@H+](C)CC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025225551	1	53	0.0	-87.19	407.79	3.10	-84.09
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225589	0	52	0.0	-73.09	406.36	4.10	-68.99
CC(CC[NH+](C)C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225593	0	54	0.0	-79.04	419.37	4.49	-74.55
C[NH+]1CCN(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025225608	1	54	0.0	-73.64	420.75	2.29	-71.35
C[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225778	0	49	0.0	-70.75	377.63	3.33	-67.42
C[N@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225778	1	49	0.0	-58.36	381.08	3.26	-55.10
C[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225804	1	50	0.0	-74.16	388.08	2.91	-71.25
C[N@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225804	1	50	0.0	-76.31	384.06	2.82	-73.49
O=C(CC[NH+]1CCOCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025225952	1	53	0.0	-70.86	413.53	2.48	-68.38
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300025225960	0	53	0.0	-65.12	388.44	3.52	-61.60
C[N@@H+]1CCC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225983	0	52	0.0	-76.99	408.00	4.43	-72.56
C[N@H+]1CCC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025225983	1	52	0.0	-76.15	408.10	4.43	-71.72
CCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025225989	0	51	0.0	-71.91	383.45	3.51	-68.40
C[NH+](C)CCCCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226021	0	54	0.0	-69.27	423.64	4.60	-64.67
CC(C)C(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025226034	0	54	0.0	-70.72	402.41	4.22	-66.50
CCC[N@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226035	0	54	0.0	-62.93	419.89	4.42	-58.51
CCC[N@@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226035	1	54	0.0	-69.84	419.87	4.44	-65.40
CCC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226038	0	51	0.0	-75.95	400.92	4.18	-71.77
CCC[N@@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226038	1	51	0.0	-75.97	400.91	4.19	-71.78
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300025226051	0	53	0.0	-67.19	387.79	3.17	-64.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300025226051	1	53	0.0	-78.99	389.29	3.41	-75.58
CC1CC[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025226076	0	55	0.0	-60.69	420.87	4.88	-55.81
C[NH+](C)CC1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025226113	0	52	0.0	-71.99	405.45	4.23	-67.76
CC[N@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226130	0	51	0.0	-62.36	398.39	3.66	-58.70
CC[N@@H+](C)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226130	1	51	0.0	-61.75	398.39	3.68	-58.07
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2C[NH+]3CCC2CC3)CC1	REAL300025226142	0	53	0.0	-73.99	397.73	4.29	-69.70
C[NH+]1CCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025226180	0	52	0.0	-78.21	402.14	4.27	-73.94
CC(C)[C@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025226195	0	54	0.0	-74.17	405.76	4.35	-69.82
C[NH+](C)C1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300025226258	0	52	0.0	-72.18	386.44	3.83	-68.35
CCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](CC)CC	REAL300025226285	0	57	0.0	-67.40	421.85	4.99	-62.41
CC1CCC[N@@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226294	0	52	0.0	-71.98	400.37	4.16	-67.82
CC1CCC[N@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226294	1	52	0.0	-65.36	396.93	3.80	-61.56
CC(C)[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226321	0	55	0.0	-69.80	410.22	4.86	-64.94
CC(C)[N@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226321	1	55	0.0	-62.74	418.34	4.39	-58.35
CC(C)[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025226328	0	54	0.0	-59.73	395.88	3.97	-55.76
CC1CC[N@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025226338	0	52	0.0	-66.55	404.39	4.14	-62.41
CC1CC[N@@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025226338	1	52	0.0	-67.85	403.56	4.11	-63.74
CC1(C)CC[N@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025226340	0	55	0.0	-60.08	423.50	4.64	-55.44
CC1(C)CC[N@@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025226340	1	55	0.0	-67.18	423.51	4.65	-62.53
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300025226341	0	57	0.0	-75.59	431.82	5.34	-70.25
C[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)CC(C)(C)C	REAL300025226341	1	57	0.0	-75.41	431.82	5.34	-70.07
CC[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025226348	0	51	0.0	-71.90	383.48	3.52	-68.38
CC1=[NH+]C=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226428	1	47	0.0	-71.83	391.10	4.39	-67.44
CC[N@@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025226471	1	53	0.0	-61.61	406.58	3.22	-58.39
CC[N@H+]1CCOC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025226471	1	53	0.0	-74.20	408.44	3.29	-70.91
CC1=C[NH+]=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226491	1	47	0.0	-73.75	391.48	5.12	-68.63
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025226496	0	52	0.0	-65.64	385.43	3.18	-62.46
C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025226496	1	52	0.0	-61.11	396.35	3.67	-57.44
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025226498	0	55	0.0	-64.90	411.59	3.92	-60.98
CC[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025226498	1	55	0.0	-68.72	420.47	4.59	-64.13
CC1CCC(C)[NH+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226503	0	55	0.0	-71.69	419.65	4.84	-66.85
O=C(CCC[NH+]1CCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226505	0	55	0.0	-75.21	429.89	5.25	-69.96
O=C(CC[NH+]1CCCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226509	0	55	0.0	-68.22	422.27	4.90	-63.32
CC[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226512	0	55	0.0	-69.69	406.52	4.29	-65.40
CC[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226512	1	55	0.0	-70.47	418.06	4.91	-65.56
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025226592	0	52	0.0	-73.51	407.78	4.76	-68.75
C[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CCC1	REAL300025226592	1	52	0.0	-73.69	407.92	4.77	-68.92
C[NH+]1CCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025226616	0	52	0.0	-78.21	402.14	4.27	-73.94
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226638	0	49	0.0	-54.70	375.35	2.90	-51.80
C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226638	1	49	0.0	-58.38	380.91	3.24	-55.14
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226655	1	51	0.0	-59.24	404.32	4.18	-55.06
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226655	1	51	0.0	-71.61	404.67	4.70	-66.91
C[N@@H+]1CCCC1CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226660	0	55	0.0	-77.57	429.07	5.31	-72.26
C[N@H+]1CCCC1CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226660	1	55	0.0	-64.94	420.09	4.49	-60.45
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226723	0	52	0.0	-68.02	397.82	4.20	-63.82
C[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226723	1	52	0.0	-71.74	400.28	4.27	-67.47
CC1C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025226772	0	52	0.0	-71.99	398.36	3.59	-68.40
CC1C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025226772	1	52	0.0	-70.47	403.19	3.75	-66.72
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226822	0	55	0.0	-66.06	417.72	4.01	-62.05
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226822	1	55	0.0	-70.66	421.81	4.45	-66.21
C[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025226835	0	48	0.0	-69.56	375.29	3.06	-66.50
C=CCC(C)(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025226847	0	55	0.0	-66.56	388.87	3.98	-62.58
O=C(CC[NH+]1CCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226859	0	52	0.0	-68.07	406.59	4.18	-63.89
C[N@H+](CCO)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226867	1	49	0.0	-76.04	389.77	0.21	-75.83
C[N@@H+](CCO)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226867	1	49	0.0	-76.09	389.56	0.23	-75.86
C[N@H+]1CC=C(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025226913	0	53	0.0	-72.90	420.81	5.14	-67.76
C[N@@H+]1CC=C(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025226913	1	53	0.0	-64.74	417.37	4.78	-59.96
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226931	0	53	0.0	-73.24	393.25	-0.31	-73.55
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226931	1	53	0.0	-70.47	395.07	-0.38	-70.85
CC1C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025226957	1	49	0.0	-67.90	389.55	3.51	-64.39
CC[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025226963	0	55	0.0	-63.55	420.87	4.63	-58.92
CC[N@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025226963	1	55	0.0	-73.39	419.87	4.89	-68.50
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300025226974	0	53	0.0	-68.74	413.23	4.90	-63.84
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300025226974	1	53	0.0	-56.93	399.83	4.31	-52.62
O=C(C=CC[NH+]1CCCC1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025226995	0	53	0.0	-77.17	422.91	5.21	-71.96
CC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227032	0	48	0.0	-75.56	379.45	3.44	-72.12
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)CN2CC3C=CC2C3)CC1	REAL300025227061	0	51	0.0	-73.72	401.08	4.78	-68.94
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@@H+]2CC3C=CC2C3)CC1	REAL300025227061	1	51	0.0	-74.01	401.12	4.77	-69.24
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@H+]2CC3C=CC2C3)CC1	REAL300025227061	1	51	0.0	-74.01	401.12	4.77	-69.24
COCCN(C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227136	0	52	0.0	-76.02	411.81	2.63	-73.39
COCC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227136	1	52	0.0	-76.32	412.02	2.61	-73.71
COCC[N@@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227136	1	52	0.0	-76.32	412.02	2.61	-73.71
CC(CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025227139	0	54	0.0	-67.85	411.92	4.20	-63.65
CC[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025227152	0	52	0.0	-64.83	406.87	4.46	-60.37
CC[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025227152	1	52	0.0	-71.69	410.79	4.86	-66.83
C[N@@H+]1CC2CC1(C(=O)N1CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025227177	0	50	0.0	-68.76	379.91	4.09	-64.67
C[N@H+]1CC2CC1(C(=O)N1CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC1)C2	REAL300025227177	1	50	0.0	-64.78	380.19	3.41	-61.37
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@@H+]2CC3CCC2C3)CC1	REAL300025227184	0	53	0.0	-72.69	405.57	4.67	-68.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@H+]2CC3CCC2C3)CC1	REAL300025227184	1	53	0.0	-59.82	404.66	4.51	-55.31
CC(C[NH+](C)C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227197	0	51	0.0	-79.43	397.75	3.89	-75.54
C[NH+](C)C1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025227205	0	49	0.0	-69.27	377.21	2.81	-66.46
C[C@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025227221	0	48	0.0	-63.14	376.62	2.85	-60.29
CC[N@@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227225	1	49	0.0	-72.64	385.60	3.49	-69.15
CC[N@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227225	1	49	0.0	-73.99	391.91	3.74	-70.25
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227231	0	57	0.0	-72.71	421.27	3.45	-69.26
NC1=CC=[NH+]C=C1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227254	0	45	0.0	-73.04	372.50	0.74	-72.30
CCCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025227261	0	54	0.0	-72.56	409.64	4.53	-68.03
C[NH+](C)C(C)(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227265	0	51	0.0	-72.61	376.92	3.07	-69.54
CC(CC[NH+](C)C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227278	0	54	0.0	-79.04	419.37	4.49	-74.55
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227326	0	55	0.0	-63.01	420.31	4.32	-58.69
C[N@H+]1CC(C)(C)CC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227326	1	55	0.0	-71.72	423.32	4.80	-66.92
C[NH+](C)CCCCCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227328	0	57	0.0	-69.28	445.14	5.39	-63.89
C[NH+]1CCN(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025227335	1	54	0.0	-73.64	420.75	2.29	-71.35
CC1C[N@H+](C)CC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025227376	1	53	0.0	-86.40	415.04	3.51	-82.89
CC1C[N@@H+](C)CC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300025227376	1	53	0.0	-87.19	407.79	3.10	-84.09
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300025227403	0	50	0.0	-75.82	397.05	4.66	-71.16
C[N@@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227420	0	52	0.0	-68.02	397.82	4.20	-63.82
C[N@H+]1CCCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227420	1	52	0.0	-71.74	400.28	4.27	-67.47
C[N@@H+]1CCC(=CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025227478	0	50	0.0	-67.77	397.93	4.04	-63.73
C[N@H+]1CCC(=CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025227478	1	50	0.0	-70.44	397.92	4.04	-66.40
O=C(CNC1=CC=[NH+]C=C1)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227480	0	48	0.0	-67.67	393.98	1.69	-65.98
[N-]=[N+]=NCC(=O)N1CCCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025227503	0	39	0.0	-26.62	335.24	-1.97	-28.59
C[NH+](C)C1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCCC1	REAL300025227530	0	55	0.0	-58.67	386.52	2.79	-55.88
CCC1C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025227537	0	52	0.0	-69.14	410.89	4.27	-64.87
C[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227546	0	49	0.0	-66.65	381.42	3.19	-63.46
C[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227546	1	49	0.0	-72.97	380.41	3.33	-69.64
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025227624	0	52	0.0	-73.09	406.36	4.10	-68.99
C[NH+](C)CCC1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025227632	0	55	0.0	-76.39	428.97	5.02	-71.37
C[N@@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227633	0	53	0.0	-72.55	409.19	4.51	-68.04
C[N@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227633	1	53	0.0	-70.24	407.87	4.83	-65.41
C[NH+](C)CCOCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227661	0	52	0.0	-69.99	414.14	3.55	-66.44
[NH2+]=C1SC=CN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227685	0	45	0.0	-71.60	388.77	2.97	-68.63
C[N@@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025227741	0	52	0.0	-75.12	402.20	4.23	-70.89
C[N@H+]1CCCC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025227741	1	52	0.0	-75.12	402.20	4.23	-70.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCCCCC2)CC1	REAL300025227742	0	55	0.0	-59.30	409.26	4.46	-54.84
CN1C=C[N+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300025227745	0	47	0.0	-73.16	392.92	6.30	-66.86
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)CN2CCC(O)CC2)CC1	REAL300025227764	0	53	0.0	-80.70	414.92	1.32	-79.38
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCC(O)CC2)CC1	REAL300025227764	1	53	0.0	-80.70	414.92	1.32	-79.38
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025227765	0	49	0.0	-72.42	390.97	4.18	-68.24
CC(CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025227783	0	54	0.0	-67.03	415.46	4.47	-62.56
CN1CCOCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227800	0	53	0.0	-64.01	408.83	2.26	-61.75
C[N@@H+]1CCOCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227800	1	53	0.0	-72.01	409.12	2.30	-69.71
C[N@H+]1CCOCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227800	1	53	0.0	-72.01	409.12	2.30	-69.71
CC1(O)CC[N@H+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025227861	0	53	0.0	-75.94	418.22	1.20	-74.74
C[NH+]1CC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025227882	0	49	0.0	-75.60	393.13	3.64	-71.96
C[N@H+](CCO)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227905	0	52	0.0	-66.91	408.70	0.45	-66.46
C[N@@H+](CCO)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227905	1	52	0.0	-66.91	408.70	0.45	-66.46
C[N@@H+]1CCCCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227920	0	55	0.0	-68.25	417.71	4.67	-63.58
C[N@H+]1CCCCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227920	1	55	0.0	-68.25	417.71	4.67	-63.58
CC1CCN1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227932	0	49	0.0	-73.41	387.48	3.59	-69.82
CC1CC[N@@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227932	1	49	0.0	-73.18	387.46	3.60	-69.58
CC1CC[N@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227932	1	49	0.0	-73.18	387.46	3.60	-69.58
C[NH+](C)CC=CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227938	0	49	0.0	-78.22	396.57	4.01	-74.21
CC1(C)CN(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025227943	0	52	0.0	-76.08	412.13	4.36	-71.72
CC1(C)C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025227943	1	52	0.0	-76.08	412.13	4.36	-71.72
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[N@H+]2CCCC2CO)CC1	REAL300025227977	0	53	0.0	-67.75	404.04	0.96	-66.79
CC[NH+](CC)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025227979	0	51	0.0	-65.37	389.86	3.50	-61.87
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)CN2CCC2)CC1	REAL300025227988	0	46	0.0	-76.16	371.83	3.21	-72.95
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCC2)CC1	REAL300025227988	1	46	0.0	-76.16	371.83	3.21	-72.95
CC[NH+](CC)CCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025228016	0	54	0.0	-69.49	411.87	4.12	-65.37
CC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)N1CCC1	REAL300025228066	0	49	0.0	-68.07	384.51	3.26	-64.81
CC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025228066	1	49	0.0	-68.07	384.51	3.26	-64.81
CCC(CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025228071	0	57	0.0	-69.83	425.42	4.83	-65.00
C[NH+](C)CC(C)(C)C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025228076	0	54	0.0	-74.88	393.60	3.72	-71.16
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025228105	0	52	0.0	-60.35	399.86	4.03	-56.32
C[NH+](C)CC(O)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025228124	0	52	0.0	-71.71	410.98	1.45	-70.26
C=CCC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025228144	0	52	0.0	-74.13	402.78	4.32	-69.81
C[NH+]1CCC(C)(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025228155	0	55	0.0	-56.68	401.67	3.70	-52.98
NC(=[NH2+])SCC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025228176	0	43	0.0	-76.91	369.60	-0.18	-77.09
C[NH+](C)CCC1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025228199	0	55	0.0	-76.39	428.97	5.02	-71.37
C[N@@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025228200	0	53	0.0	-72.55	409.19	4.51	-68.04
C[N@H+]1CC=CCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025228200	1	53	0.0	-70.24	407.87	4.83	-65.41
C[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025228286	0	49	0.0	-72.97	380.41	3.33	-69.64
CC1C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025228308	0	52	0.0	-70.47	403.19	3.75	-66.72
CC1C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025228308	1	52	0.0	-70.47	403.19	3.75	-66.72
CN1CCOCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025228336	0	53	0.0	-64.01	408.83	2.26	-61.75
C[N@@H+]1CCOCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025228336	1	53	0.0	-72.01	409.12	2.30	-69.71
C[N@H+]1CCOCC1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025228336	1	53	0.0	-72.01	409.12	2.30	-69.71
C[N@@H+]1CCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228547	0	46	0.0	-67.42	374.28	0.29	-67.13
CC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300025228722	0	55	0.0	-63.83	424.36	2.26	-61.57
CC(C)[N@@H+]1CCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228740	0	52	0.0	-65.49	404.62	1.95	-63.54
CC(C)[N@H+]1CCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228740	1	52	0.0	-65.49	404.62	1.95	-63.54
CC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228753	0	53	0.0	-64.66	421.89	2.54	-62.12
CC1(NC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228753	1	53	0.0	-64.66	421.89	2.54	-62.12
CC(C)C1=NC=CN1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228770	0	50	0.0	-62.51	420.38	2.55	-59.96
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228770	1	50	0.0	-62.51	420.38	2.55	-59.96
CC1=NC=CN1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228791	0	44	0.0	-62.91	383.76	1.36	-61.55
CC1=[NH+]C=CN1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228791	1	44	0.0	-62.91	383.76	1.36	-61.55
CC(CN1CCOCC1)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228792	0	53	0.0	-64.23	425.46	0.67	-63.56
CC(C[NH+]1CCOCC1)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228792	1	53	0.0	-64.23	425.46	0.67	-63.56
CC1(NC(=O)CCC[NH+]2CCCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228805	0	55	0.0	-67.91	439.68	3.02	-64.89
CC1(NC(=O)C2C[NH+]3CCC2CC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228824	0	50	0.0	-73.26	395.56	1.64	-71.62
CC1(NC(=O)C2CCCC3CCC[N@@H+]32)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228855	0	53	0.0	-60.60	418.87	2.66	-57.94
CC1(NC(=O)C2CCCC3CCC[N@H+]32)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228855	1	53	0.0	-60.60	418.87	2.66	-57.94
C[C@@H]1[C@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025228863	0	49	0.0	-69.19	397.14	0.99	-68.20
C[C@@H]1[C@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025228863	1	49	0.0	-69.19	397.14	0.99	-68.20
CC[C@@H]1[C@@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025228866	0	52	0.0	-63.39	415.33	1.95	-61.44
CC[C@@H]1[C@@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025228866	1	52	0.0	-63.39	415.33	1.95	-61.44
CCN1CCOC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025228874	0	50	0.0	-72.21	402.50	0.66	-71.55
CC[N@@H+]1CCOC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025228874	1	50	0.0	-62.48	402.36	0.58	-61.90
CC[N@H+]1CCOC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025228874	1	50	0.0	-62.48	402.36	0.58	-61.90
CC[NH+](CC)CC(F)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228904	0	51	0.0	-65.29	416.34	1.73	-63.56
CC1CCC(C)[NH+]1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228951	0	52	0.0	-63.60	412.41	1.89	-61.71
CC1(NC(=O)CCC[NH+]2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228957	0	52	0.0	-67.83	423.73	2.30	-65.53
C#CC[NH+]1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025228960	0	51	0.0	-70.60	424.18	2.67	-67.93
CC1(NC(=O)CC[NH+]2CCCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228961	0	52	0.0	-67.77	418.42	2.26	-65.51
CC(C)C[N@@H+]1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025228976	0	55	0.0	-64.97	438.57	2.72	-62.25
CC(C)C[N@H+]1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025228976	1	55	0.0	-64.97	438.57	2.72	-62.25
CC(C)[N@@H+]1CCCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228980	0	55	0.0	-64.44	424.53	2.06	-62.38
CC(C)[N@H+]1CCCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025228980	1	55	0.0	-64.44	424.53	2.06	-62.38
C[N@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025229018	0	49	0.0	-66.02	400.75	1.80	-64.22
C[N@@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025229018	1	49	0.0	-66.02	400.75	1.80	-64.22
CC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300025229053	0	55	0.0	-60.26	422.73	1.97	-58.29
C[N@@H+]1CCCC1CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229106	0	52	0.0	-67.65	416.57	1.85	-65.80
C[N@H+]1CCCC1CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229106	1	52	0.0	-67.65	416.57	1.85	-65.80
CC1(NC(=O)C2CCC3CCCC[N@@H+]32)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229113	0	53	0.0	-62.44	421.91	2.72	-59.72
CC1(NC(=O)C2CCC3CCCC[N@H+]32)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229113	1	53	0.0	-62.44	421.91	2.72	-59.72
CC1(NC(=O)CCCC[NH+]2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229126	0	55	0.0	-68.14	444.35	3.03	-65.11
C[NH+]1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025229137	0	49	0.0	-71.02	399.00	1.50	-69.52
C[NH+](C)CC1=CC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300025229157	1	48	0.0	-74.89	413.44	0.78	-74.11
CC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229262	0	44	0.0	-68.39	384.57	3.32	-65.07
CC1=[NH+]C=CN1CCCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229268	1	50	0.0	-65.06	425.26	2.65	-62.41
CC1(NC(=O)CC[NH+]2CCOCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229272	1	50	0.0	-70.69	409.91	-0.17	-70.86
CC1=C[NH+]=CN1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229292	1	44	0.0	-67.68	384.40	2.17	-65.51
C[NH+](C)C1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025229334	0	55	0.0	-66.93	433.23	2.66	-64.27
C[N@@H+]1CCC(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025229336	0	49	0.0	-69.05	401.08	1.30	-67.75
C[N@H+]1CCC(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025229336	1	49	0.0	-68.91	401.38	1.43	-67.48
CCC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025229350	0	48	0.0	-65.74	384.56	0.86	-64.88
C[NH+](C)C1(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025229360	0	55	0.0	-69.07	414.43	2.10	-66.97
CC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229385	1	44	0.0	-70.89	384.85	3.34	-67.55
C[NH+](C)CCCCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229423	0	51	0.0	-69.39	420.00	1.97	-67.42
CCC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229439	0	51	0.0	-68.94	416.01	1.79	-67.15
CCC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229439	1	51	0.0	-68.69	416.23	1.77	-66.92
CCC[N@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229443	0	48	0.0	-67.32	393.87	1.24	-66.08
CCC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229443	1	48	0.0	-67.49	393.87	1.24	-66.25
CC1(NC(=O)C23CC[N@H+](C2)CCC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229459	0	50	0.0	-68.34	395.86	0.96	-67.38
CC1(NC(=O)C23CC[N@@H+](C2)CCC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229459	1	50	0.0	-68.83	396.29	1.05	-67.78
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229486	0	46	0.0	-63.45	374.30	0.28	-63.17
C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229486	1	46	0.0	-63.51	380.34	0.78	-62.73
CCCCCC[N@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229525	0	57	0.0	-68.40	458.36	3.58	-64.82
CCCCCC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229525	1	57	0.0	-68.67	458.36	3.58	-65.09
CC[NH+](CC)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229534	0	48	0.0	-65.99	386.22	0.90	-65.09
CCC[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025229559	0	55	0.0	-61.86	432.13	3.05	-58.81
CCC[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025229559	1	55	0.0	-63.53	431.89	3.05	-60.48
CC(C)[N@@H+]1CCOC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025229569	1	53	0.0	-68.66	426.61	1.33	-67.33
CC(C)[N@H+]1CCOC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025229569	1	53	0.0	-62.22	418.45	1.15	-61.07
CC1CC[NH+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025229595	0	52	0.0	-67.55	416.99	2.31	-65.24
C[NH+]1CCC(OCC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025229613	0	53	0.0	-73.17	434.59	1.83	-71.34
C[NH+](C)CC1(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025229622	0	49	0.0	-60.86	405.53	1.65	-59.21
CC(C)[NH+]1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025229677	0	55	0.0	-66.05	433.55	2.68	-63.37
C[NH+]1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025229690	0	49	0.0	-71.02	399.00	1.50	-69.52
CCC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025229719	0	54	0.0	-62.63	417.32	1.84	-60.79
CC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229765	0	48	0.0	-68.28	394.74	1.04	-67.24
CC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229765	1	48	0.0	-68.08	394.74	1.05	-67.03
CC1CCC[N@@H+]1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229805	0	49	0.0	-63.91	400.32	1.40	-62.51
CC1CCC[N@H+]1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229805	1	49	0.0	-64.83	399.78	1.62	-63.21
CC1CC[N@H+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025229807	0	49	0.0	-66.31	399.65	1.42	-64.89
CC1CC[N@@H+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025229807	1	49	0.0	-66.61	400.01	1.57	-65.04
CC1(NC(=O)C[N@@H+]2CCC(C)(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229810	0	52	0.0	-66.68	419.92	2.08	-64.60
CC1(NC(=O)C[N@H+]2CCC(C)(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229810	1	52	0.0	-66.14	419.32	1.99	-64.15
C[N@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025229811	0	54	0.0	-66.59	424.26	2.32	-64.27
C[N@@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025229811	1	54	0.0	-66.82	424.11	2.30	-64.52
CC[C@@H](C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025229818	0	48	0.0	-65.78	384.89	0.83	-64.95
C[NH+]1CCC(O)(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025229941	0	53	0.0	-67.24	424.95	0.06	-67.18
C[NH+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229950	0	42	0.0	-67.76	354.64	-0.18	-67.94
CC1(NC(=O)C[NH+]2CCC(CO)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229953	0	53	0.0	-70.74	428.22	-1.00	-71.74
CC1(NC(=O)C[NH+]2CCCCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229954	0	52	0.0	-67.21	407.62	2.22	-64.99
CN1C=C[N+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025229958	0	44	0.0	-64.06	385.87	3.33	-60.73
C[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025229963	0	49	0.0	-61.98	392.73	1.66	-60.32
C[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025229963	1	49	0.0	-68.26	398.99	1.45	-66.81
CC1(NC(=O)C2CCC[N@@H+]2C2CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229967	0	50	0.0	-66.30	407.04	1.81	-64.49
CC1(NC(=O)C2CCC[N@H+]2C2CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229967	1	50	0.0	-62.15	410.41	2.31	-59.84
CC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025229987	1	46	0.0	-65.30	382.17	0.86	-64.44
CCC(CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025229991	0	54	0.0	-62.74	430.20	2.42	-60.32
CC1(NC(=O)C[NH+]2CCC(O)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230015	1	50	0.0	-71.23	407.61	-1.65	-72.88
C[N@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025230016	0	46	0.0	-64.50	383.68	1.24	-63.26
C[N@@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025230016	1	46	0.0	-64.99	383.69	1.24	-63.75
CC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300025230017	1	54	0.0	-68.41	425.36	-0.37	-68.78
C[NH+]1CC(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230032	0	46	0.0	-67.23	385.53	0.57	-66.66
CC1(NC(=O)C2CC[N@@H+]2C2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230036	0	53	0.0	-66.89	427.20	2.79	-64.10
CC1(NC(=O)C2CC[N@H+]2C2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230036	1	53	0.0	-66.16	423.09	2.59	-63.57
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230043	0	52	0.0	-64.03	416.00	1.55	-62.48
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230043	1	52	0.0	-64.51	399.99	0.87	-63.64
C[C@@H](C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025230054	0	45	0.0	-64.56	372.73	0.22	-64.34
CC1(NC(=O)CN=[N+]=[N-])CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025230061	0	36	0.0	-22.02	331.24	-4.66	-26.68
CCC1CCC[N@H+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230081	0	55	0.0	-66.56	428.27	2.83	-63.73
CCC1CCC[N@@H+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230081	1	55	0.0	-65.64	427.91	2.52	-63.12
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300025230088	0	50	0.0	-75.46	421.22	1.24	-74.22
CC1(NC(=O)CN2C=CSC2=[NH2+])CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230122	0	42	0.0	-62.06	381.71	0.00	-62.06
C[N@H+](CCO)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230130	0	49	0.0	-67.59	405.09	-2.19	-69.78
C[N@@H+](CCO)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230130	1	49	0.0	-68.36	404.85	-2.19	-70.55
C[C@@H](C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025230131	0	45	0.0	-64.56	372.73	0.22	-64.34
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230135	0	49	0.0	-66.12	386.93	1.16	-64.96
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230135	1	49	0.0	-65.50	396.22	1.33	-64.17
CC1CN2CC[N@@H+]1CC2C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230141	0	52	0.0	-72.29	407.19	-1.20	-73.49
CC1CN2CC[N@H+]1CC2C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230141	1	52	0.0	-64.92	407.49	-1.23	-66.15
CC1(NC(=O)C[NH+]2CCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230198	1	43	0.0	-66.54	364.60	0.22	-66.32
C[N@@H+]1CCC(=CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230219	0	47	0.0	-70.84	393.51	1.36	-69.48
C[N@H+]1CCC(=CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230219	1	47	0.0	-70.69	392.30	1.40	-69.29
C[NH+](C)CCOCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230244	0	49	0.0	-66.03	410.17	0.71	-65.32
CCCCC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230249	0	57	0.0	-69.84	459.01	3.35	-66.49
CCCCC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230249	1	57	0.0	-69.63	459.23	3.34	-66.29
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025230257	0	53	0.0	-68.28	433.13	1.58	-66.70
C=CCC(C)(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025230264	0	52	0.0	-69.20	409.01	1.96	-67.24
C[S+](C)CCC(O)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230268	0	48	0.0	-72.64	419.27	-0.61	-73.25
CN1CC[N@H+](C)CC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230297	0	54	0.0	-66.30	424.91	-0.02	-66.32
CN1CC[N@@H+](C)CC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230297	1	54	0.0	-66.30	424.91	-0.02	-66.32
CC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300025230298	0	53	0.0	-63.69	425.52	-1.27	-64.96
C[N@@H+]1CCCC(O)(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230315	0	53	0.0	-61.88	424.74	0.09	-61.79
C[N@H+]1CCCC(O)(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230315	1	53	0.0	-61.88	424.74	0.09	-61.79
CC1CN(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230318	0	46	0.0	-67.73	384.50	0.99	-66.74
CC1C[NH+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230318	1	46	0.0	-67.73	384.50	0.99	-66.74
CN(CCO)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230340	0	46	0.0	-68.44	382.72	-2.75	-71.19
C[N@H+](CCO)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230340	1	46	0.0	-66.80	382.50	-2.75	-69.55
C[N@@H+](CCO)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230340	1	46	0.0	-66.80	382.50	-2.75	-69.55
CC1(NC(=O)C2C[N@@H+]3CCN2CCC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230358	0	52	0.0	-68.31	401.52	-0.38	-68.69
CC1(NC(=O)C2C[N@H+]3CCN2CCC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230358	1	52	0.0	-68.31	401.52	-0.38	-68.69
CC[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230362	0	52	0.0	-66.60	416.88	2.10	-64.50
CC[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230362	1	52	0.0	-66.60	416.88	2.10	-64.50
CC(CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025230364	0	51	0.0	-69.28	411.82	1.81	-67.47
CC[N@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230370	0	45	0.0	-66.56	372.05	0.41	-66.15
CC[N@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025230405	0	49	0.0	-64.00	399.21	1.58	-62.42
CC[NH+](CC)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230417	0	51	0.0	-67.41	412.59	1.75	-65.66
CC1(C)CN(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230436	0	49	0.0	-67.24	404.98	1.46	-65.78
CC1(C)C[NH+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230436	1	49	0.0	-67.24	404.98	1.46	-65.78
CC1(NC(=O)C[N@@H+]2CCC(C)(O)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230457	0	50	0.0	-66.79	410.88	-1.78	-68.57
C[NH+](C)CC=CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230463	0	46	0.0	-71.44	390.37	1.03	-70.41
CC(OCC[NH+](C)C)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230476	0	52	0.0	-64.27	430.08	1.47	-62.80
C[NH+](C)CCOCCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230483	0	52	0.0	-68.45	431.45	0.63	-67.82
COCCN(C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230484	0	49	0.0	-66.46	404.75	-0.35	-66.81
COCC[N@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230484	1	49	0.0	-68.66	404.97	-0.34	-69.00
COCC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230484	1	49	0.0	-68.66	404.97	-0.34	-69.00
CC(CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025230509	0	51	0.0	-70.65	408.28	1.55	-69.10
CCN1CCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230515	0	46	0.0	-65.55	385.95	0.71	-64.84
CC[N@@H+]1CCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230515	1	46	0.0	-65.89	386.08	0.86	-65.03
CC[N@H+]1CCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230515	1	46	0.0	-65.89	386.08	0.86	-65.03
CC(C)[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230522	0	55	0.0	-62.56	427.04	2.82	-59.74
CC(C)[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025230522	1	55	0.0	-62.56	427.04	2.82	-59.74
CC1(NC(=O)C[N@@H+]2CCCC2CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230532	0	50	0.0	-64.81	400.12	-1.72	-66.53
CC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230551	0	53	0.0	-64.66	421.89	2.54	-62.12
CC1(NC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230551	1	53	0.0	-64.66	421.89	2.54	-62.12
C[NH+](C)CC1=CNC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025230558	0	50	0.0	-71.78	421.00	1.14	-70.64
C=CCC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025230574	0	49	0.0	-64.90	397.20	1.31	-63.59
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230580	0	52	0.0	-63.52	416.05	1.81	-61.71
C[N@H+]1CC(C)(C)CC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230580	1	52	0.0	-63.52	416.05	1.81	-61.71
C[NH+](C)CCCCCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230583	0	54	0.0	-69.18	441.50	2.75	-66.43
CC1C[N@@H+]2CCN1C(C(=O)NC1(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025230615	0	52	0.0	-66.88	407.31	-1.13	-68.01
CCCC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025230616	0	51	0.0	-68.50	409.67	2.18	-66.32
C[N@@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230647	0	49	0.0	-62.41	396.60	1.41	-61.00
C[N@H+]1CC=C(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025230676	0	50	0.0	-66.60	413.78	2.14	-64.46
C[N@@H+]1CC=C(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025230676	1	50	0.0	-66.60	413.78	2.14	-64.46
CC1(NC(=O)CC2([NH+]3CCCC3)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230682	0	53	0.0	-63.90	419.52	2.57	-61.33
CN(C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025230716	0	49	0.0	-70.73	419.18	1.62	-69.11
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025230716	1	49	0.0	-70.73	419.18	1.62	-69.11
CC1(NC(=O)C=CC[NH+]2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230728	0	50	0.0	-70.03	416.93	2.23	-67.80
CC1(NC(=O)C2CC[NH+](C3CC3)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230745	0	53	0.0	-65.88	424.10	2.69	-63.19
CC1(NC(=O)CC[NH+]2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230759	0	49	0.0	-67.90	402.00	1.51	-66.39
CC1(NC(=O)C[N@@H+]2CC3CCC2C3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230806	0	50	0.0	-65.62	399.00	1.73	-63.89
CC1(NC(=O)C[N@H+]2CC3CCC2C3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230806	1	50	0.0	-65.62	399.00	1.73	-63.89
CC1(NC(=O)C=C2C[NH+]3CCC2CC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230840	0	51	0.0	-66.25	410.85	2.22	-64.03
CC1(NC(=O)CN2CC3C=CC2C3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230848	0	48	0.0	-64.84	393.36	1.61	-63.23
CC1(NC(=O)C[N@@H+]2CC3C=CC2C3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230848	1	48	0.0	-64.75	393.39	1.61	-63.14
CC1(NC(=O)C[N@H+]2CC3C=CC2C3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230848	1	48	0.0	-64.75	393.39	1.61	-63.14
CC(C[NH+](C)C)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230879	0	48	0.0	-67.66	392.82	1.09	-66.57
C[N@@H+]1CCCCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230933	0	52	0.0	-60.30	406.16	1.89	-58.41
C[N@H+]1CCCCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230933	1	52	0.0	-60.30	406.16	1.89	-58.41
CC1CCN1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230948	0	46	0.0	-65.98	385.60	0.83	-65.15
CC1CC[N@@H+]1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230948	1	46	0.0	-66.47	385.74	0.91	-65.56
CC1CC[N@H+]1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230948	1	46	0.0	-66.47	385.74	0.91	-65.56
C[NH+](C)CC(O)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230950	0	49	0.0	-71.03	407.34	-1.26	-72.29
CC1CN(C)CC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025230969	0	50	0.0	-71.74	405.68	0.39	-71.35
CC1C[N@H+](C)CC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025230969	1	50	0.0	-63.44	405.98	0.75	-62.69
CC1C[N@@H+](C)CC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025230969	1	50	0.0	-63.44	405.98	0.75	-62.69
CC1(NC(=O)CC[NH+]2CCC(O)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230977	0	53	0.0	-71.49	429.52	-1.09	-72.58
CCC[N@@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230979	0	55	0.0	-65.28	426.49	2.63	-62.65
CCC[N@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230979	1	55	0.0	-65.28	426.49	2.63	-62.65
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025231033	0	49	0.0	-65.07	403.95	1.56	-63.51
CC(CC[NH+](C)C)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231040	0	51	0.0	-68.22	414.46	1.71	-66.51
C[N@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300025231054	0	53	0.0	-65.48	425.06	-0.87	-66.35
C#CCN1CCCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231059	0	51	0.0	-65.96	412.52	2.43	-63.53
C#CC[N@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231059	1	51	0.0	-66.00	412.39	2.44	-63.56
C#CC[N@@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231059	1	51	0.0	-66.00	412.39	2.44	-63.56
CN1CCN(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025231062	0	51	0.0	-69.41	413.82	-0.66	-70.07
C[NH+]1CCN(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025231062	1	51	0.0	-69.41	413.82	-0.66	-70.07
C[N@@H+]1CCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231237	0	46	0.0	-62.14	373.56	0.28	-61.86
C[N@H+]1CCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231237	1	46	0.0	-62.73	375.66	0.64	-62.09
C[N@@H+]1CCOC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025231263	1	47	0.0	-63.41	380.24	-0.13	-63.54
C[N@H+]1CCOC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025231263	1	47	0.0	-63.54	380.23	-0.06	-63.60
CC1=[NH+]C=CN1CCCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231420	1	50	0.0	-63.60	425.28	2.64	-60.96
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300025231424	1	50	0.0	-68.80	409.57	-0.25	-69.05
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300025231444	0	50	0.0	-61.05	394.44	1.37	-59.68
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300025231452	1	44	0.0	-70.07	379.94	2.88	-67.19
C[NH+](C)C1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025231500	0	55	0.0	-63.91	424.09	2.26	-61.65
C[N@@H+]1CCC(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025231502	0	49	0.0	-68.19	401.32	1.37	-66.82
C[N@H+]1CCC(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025231502	1	49	0.0	-67.90	401.32	1.41	-66.49
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231513	0	48	0.0	-70.08	404.40	-0.12	-70.20
CCC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025231518	0	48	0.0	-61.71	384.62	0.74	-60.97
C[NH+](C)CCCCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231570	0	51	0.0	-68.39	420.00	1.95	-66.44
CC(C)C(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025231590	0	51	0.0	-64.27	395.75	2.00	-62.27
CCC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231592	0	51	0.0	-67.29	415.90	1.69	-65.60
CCC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231592	1	51	0.0	-67.15	415.87	1.71	-65.44
CCC[N@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231597	0	48	0.0	-64.74	393.56	1.16	-63.58
CCC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231597	1	48	0.0	-64.62	393.89	1.21	-63.41
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025231617	0	50	0.0	-66.77	390.35	0.71	-66.06
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025231617	1	50	0.0	-85.39	388.83	0.77	-84.62
CCCCCC[N@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231640	0	57	0.0	-65.55	458.38	3.56	-61.99
CCCCCC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231640	1	57	0.0	-65.71	458.38	3.55	-62.16
CC[NH+](CC)C(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300025231643	0	57	0.0	-59.02	431.15	2.55	-56.47
CC1CC[NH+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025231672	0	52	0.0	-64.60	417.38	2.29	-62.31
C[NH+]1CCC(OCC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025231695	0	53	0.0	-71.64	434.34	1.97	-69.67
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300025231734	0	53	0.0	-62.21	419.14	2.36	-59.85
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300025231734	1	53	0.0	-62.24	419.29	2.38	-59.86
C[NH+](C)CC1(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025231743	0	49	0.0	-61.76	402.96	1.40	-60.36
CC(C)[NH+]1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025231753	0	55	0.0	-64.78	430.55	2.33	-62.45
CC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231769	0	48	0.0	-66.42	394.74	1.03	-65.39
CC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231769	1	48	0.0	-66.36	394.52	1.05	-65.31
CC(C)(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300025231790	0	55	0.0	-59.67	416.90	2.50	-57.17
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300025231798	0	50	0.0	-65.10	392.76	1.42	-63.68
C[NH+]1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025231861	0	49	0.0	-67.24	399.88	1.37	-65.87
CC(C)[C@H](C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025231879	0	51	0.0	-62.28	397.47	1.61	-60.67
CC[NH+](CC)CC(F)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025231962	0	51	0.0	-67.87	417.06	1.79	-66.08
CC(C)C[N@@H+]1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025231990	0	55	0.0	-64.08	436.08	2.68	-61.40
CC(C)C[N@H+]1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025231990	1	55	0.0	-65.73	437.99	2.72	-63.01
C[NH+](C)C1(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025231993	0	49	0.0	-66.68	385.64	0.89	-65.79
CCC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025232023	0	54	0.0	-58.79	420.42	2.07	-56.72
CC1CCC[N@@H+]1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232040	0	49	0.0	-61.74	393.07	1.17	-60.57
CC1CCC[N@H+]1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232040	1	49	0.0	-61.38	393.07	1.18	-60.20
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300025232088	0	55	0.0	-61.19	424.01	2.18	-59.01
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232090	0	55	0.0	-59.54	419.07	2.08	-57.46
CC(C)[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232090	1	55	0.0	-58.25	426.79	2.23	-56.02
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232110	0	52	0.0	-60.36	412.62	1.79	-58.57
CC(C)[N@H+]1CCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232110	1	52	0.0	-62.93	405.95	2.36	-60.57
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232116	0	55	0.0	-57.90	425.82	1.87	-56.03
CC(C)[N@H+]1CCCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232116	1	55	0.0	-63.55	436.39	2.40	-61.15
CC(C)[C@@H](C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025232127	0	51	0.0	-64.11	395.44	2.01	-62.10
CC1CC[N@H+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025232145	0	49	0.0	-64.01	400.42	1.44	-62.57
CC1CC[N@@H+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025232145	1	49	0.0	-63.52	400.78	1.55	-61.97
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300025232149	0	52	0.0	-63.91	419.90	1.99	-61.92
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300025232149	1	52	0.0	-63.84	419.88	1.98	-61.86
C[N@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025232150	0	54	0.0	-64.32	422.16	2.14	-62.18
C[N@@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025232150	1	54	0.0	-64.17	424.43	2.36	-61.81
CC[C@@H](C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025232158	0	48	0.0	-64.18	387.05	0.96	-63.22
CC1=[NH+]C=CN1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232328	1	44	0.0	-61.99	383.72	1.33	-60.66
CC(C[NH+]1CCOCC1)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232329	0	53	0.0	-67.36	423.10	0.32	-67.04
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300025232344	0	55	0.0	-66.29	440.14	3.05	-63.24
C[NH+](C)CC1=CC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300025232356	1	48	0.0	-75.90	410.35	0.82	-75.08
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232385	1	50	0.0	-60.56	420.40	2.53	-58.03
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300025232413	0	53	0.0	-58.52	416.22	2.42	-56.10
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300025232413	1	53	0.0	-58.51	416.36	2.35	-56.16
CC[N@@H+]1CCOC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025232427	1	50	0.0	-73.75	407.28	0.72	-73.03
CC[N@H+]1CCOC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025232427	1	50	0.0	-68.43	405.12	0.76	-67.67
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300025232467	0	44	0.0	-67.21	379.65	2.86	-64.35
CC1=C[NH+]=CN1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232472	1	44	0.0	-65.58	384.41	2.15	-63.43
C[C@@H]1[C@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025232481	0	49	0.0	-68.07	391.24	1.11	-66.96
C[C@@H]1[C@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025232481	1	49	0.0	-63.87	396.03	1.32	-62.55
CC[C@@H]1[C@@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025232485	0	52	0.0	-65.33	408.54	1.29	-64.04
CC[C@@H]1[C@@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025232485	1	52	0.0	-65.42	414.67	1.73	-63.69
CC1CCC(C)[NH+]1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232496	0	52	0.0	-61.11	411.58	1.82	-59.29
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300025232502	0	52	0.0	-66.72	422.53	2.16	-64.56
C#CC[NH+]1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025232507	0	51	0.0	-71.62	421.79	2.39	-69.23
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300025232508	0	52	0.0	-65.83	417.83	2.13	-63.70
CC[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232513	0	52	0.0	-61.51	413.96	2.01	-59.50
CC[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232513	1	52	0.0	-62.13	414.02	2.03	-60.10
C[NH+](C)C1(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025232546	0	55	0.0	-67.08	418.18	2.26	-64.82
C[N@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025232667	0	49	0.0	-62.35	400.87	1.79	-60.56
C[N@@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025232667	1	49	0.0	-62.78	400.40	1.71	-61.07
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300025232684	0	55	0.0	-60.36	413.70	1.52	-58.84
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300025232696	0	55	0.0	-67.54	443.99	2.94	-64.60
C[NH+]1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025232707	0	49	0.0	-67.24	399.88	1.37	-65.87
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232742	0	46	0.0	-62.14	373.57	0.28	-61.86
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232742	1	46	0.0	-61.94	377.63	0.72	-61.22
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232763	1	48	0.0	-62.65	400.35	1.51	-61.14
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232763	1	48	0.0	-62.00	405.81	1.97	-60.03
C[N@@H+]1CCCC1CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232768	0	52	0.0	-65.48	416.21	1.77	-63.71
C[N@H+]1CCCC1CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232768	1	52	0.0	-66.39	416.38	1.86	-64.53
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300025232775	0	53	0.0	-67.08	404.60	1.56	-65.52
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300025232778	0	53	0.0	-59.76	420.21	2.61	-57.15
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300025232778	1	53	0.0	-61.19	414.98	2.28	-58.91
CCC[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025232840	0	55	0.0	-64.94	435.77	2.55	-62.39
CCC[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025232840	1	55	0.0	-65.42	433.52	2.54	-62.88
CC(C)[N@@H+]1CCOC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025232854	0	53	0.0	-67.47	421.85	1.21	-66.26
CC(C)[N@H+]1CCOC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025232854	1	53	0.0	-60.77	410.27	0.94	-59.83
C[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232875	0	49	0.0	-63.05	395.97	1.38	-61.67
C[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232875	1	49	0.0	-63.22	395.97	1.30	-61.92
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232895	0	55	0.0	-63.36	427.08	3.12	-60.24
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232895	1	55	0.0	-63.05	432.35	2.41	-60.64
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300025232908	0	53	0.0	-65.87	427.83	-1.02	-66.89
CC1C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025232949	0	49	0.0	-63.91	396.10	1.29	-62.62
CC1C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025232949	1	49	0.0	-67.83	391.43	1.06	-66.77
C[N@@H+]1CCCCC1CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232951	0	55	0.0	-68.47	428.49	2.55	-65.92
C[N@H+]1CCCCC1CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025232951	1	55	0.0	-68.43	428.60	2.55	-65.88
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233029	0	52	0.0	-61.14	416.31	1.47	-59.67
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233029	1	52	0.0	-60.82	395.60	0.77	-60.05
C[C@@H](C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025233047	0	45	0.0	-62.77	371.84	0.11	-62.66
C=CCC(C)(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025233061	0	52	0.0	-62.19	401.09	2.00	-60.19
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025233081	0	49	0.0	-66.00	402.74	1.55	-64.45
C[N@H+](CCO)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233091	1	46	0.0	-65.86	382.41	-2.83	-68.69
C[N@@H+](CCO)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233091	1	46	0.0	-64.40	382.53	-2.76	-67.16
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300025233124	0	52	0.0	-73.23	398.84	-1.18	-74.41
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300025233124	1	52	0.0	-72.50	402.55	-0.92	-73.42
C[N@H+]1CC=C(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025233170	0	50	0.0	-67.08	413.58	2.15	-64.93
C[N@@H+]1CC=C(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025233170	1	50	0.0	-65.83	413.67	2.14	-63.69
C[S+](C)CCC(O)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233184	0	48	0.0	-71.95	416.89	-0.68	-72.63
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233202	0	50	0.0	-65.54	392.95	-1.82	-67.36
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233202	1	50	0.0	-63.17	399.14	-2.54	-65.71
CN1CC[N@H+](C)CC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025233212	0	54	0.0	-64.61	420.10	-0.38	-64.99
CN1CC[N@@H+](C)CC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025233212	1	54	0.0	-72.78	427.41	-0.69	-73.47
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300025233213	0	53	0.0	-60.89	422.81	-1.18	-62.07
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300025233213	1	53	0.0	-63.86	424.66	-1.33	-65.19
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025233241	0	53	0.0	-61.63	415.23	-0.01	-61.64
C[N@H+]1CCCC(O)(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025233241	1	53	0.0	-61.16	424.95	0.20	-60.96
CC1C[NH+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025233245	1	46	0.0	-64.75	385.71	0.89	-63.86
CC[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025233251	0	52	0.0	-61.22	408.00	1.99	-59.23
CC[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025233251	1	52	0.0	-64.31	414.26	1.86	-62.45
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025233267	0	50	0.0	-59.93	411.04	2.27	-57.66
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025233267	1	50	0.0	-60.21	403.70	1.53	-58.68
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300025233302	0	50	0.0	-67.50	414.72	2.00	-65.50
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300025233320	0	53	0.0	-67.60	421.42	2.39	-65.21
CC[N@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233358	0	45	0.0	-64.27	372.39	0.47	-63.80
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2CC3C=CC2C3)C1	REAL300025233403	0	48	0.0	-62.48	393.78	1.70	-60.78
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300025233403	1	48	0.0	-62.46	393.38	1.67	-60.79
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300025233403	1	48	0.0	-62.46	393.38	1.67	-60.79
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300025233474	0	49	0.0	-73.19	389.08	-1.89	-75.08
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300025233509	0	53	0.0	-60.83	405.74	1.80	-59.03
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300025233509	1	53	0.0	-60.83	405.74	1.80	-59.03
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300025233515	0	51	0.0	-60.86	399.37	1.61	-59.25
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300025233515	1	51	0.0	-60.86	399.37	1.61	-59.25
CC(OCC[NH+](C)C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233524	0	52	0.0	-63.93	427.82	1.43	-62.50
C[NH+](C)CCOCCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233532	0	52	0.0	-67.24	431.46	0.60	-66.64
COCCN(C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233534	0	49	0.0	-63.97	404.78	-0.36	-64.33
COCC[N@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233534	1	49	0.0	-65.90	404.66	-0.43	-66.33
COCC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233534	1	49	0.0	-65.90	404.66	-0.43	-66.33
CC(CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025233539	0	51	0.0	-65.70	411.99	1.56	-64.14
CC[N@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025233561	0	49	0.0	-61.80	400.47	1.83	-59.97
CC1C[N@@H+]2CCN1C(C(=O)N1CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025233576	0	52	0.0	-64.73	392.31	0.53	-64.20
C[N@@H+]1CC2CC1(C(=O)N1CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025233598	0	47	0.0	-67.53	382.21	0.76	-66.77
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300025233611	0	50	0.0	-61.55	398.69	1.65	-59.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300025233611	1	50	0.0	-61.55	398.69	1.65	-59.90
CC(C[NH+](C)C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233630	0	48	0.0	-77.16	394.10	0.94	-76.22
CCN1CCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233674	0	46	0.0	-63.80	386.26	0.77	-63.03
CC[N@@H+]1CCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233674	1	46	0.0	-63.98	385.96	0.70	-63.28
CC[N@H+]1CCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233674	1	46	0.0	-63.98	385.96	0.70	-63.28
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025233684	0	55	0.0	-63.45	430.90	2.32	-61.13
CC(C)[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025233684	1	55	0.0	-63.45	430.90	2.32	-61.13
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233696	0	54	0.0	-62.50	419.49	0.27	-62.23
C#CCN1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233735	0	51	0.0	-62.09	408.50	2.18	-59.91
C#CC[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233735	1	51	0.0	-60.19	421.02	2.48	-57.71
C#CC[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233735	1	51	0.0	-60.19	421.02	2.48	-57.71
CCCC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025233746	0	51	0.0	-62.99	408.49	1.70	-61.29
C[NH+](C)C(C)(C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233753	0	48	0.0	-66.49	377.37	0.71	-65.78
CC(CC[NH+](C)C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233771	0	51	0.0	-76.70	415.76	1.56	-75.14
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300025233828	0	51	0.0	-63.32	407.86	3.09	-60.23
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233857	0	52	0.0	-64.96	413.95	1.37	-63.59
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233857	1	52	0.0	-64.96	413.95	1.37	-63.59
C[NH+](C)CCCCCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233860	0	54	0.0	-68.43	441.50	2.72	-65.71
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300025233864	0	53	0.0	-69.12	429.39	-1.18	-70.30
CCC[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233868	0	55	0.0	-61.39	423.95	2.31	-59.08
CCC[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025233868	1	55	0.0	-61.39	423.95	2.31	-59.08
CN1CCN(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025233877	0	51	0.0	-68.07	413.44	-0.70	-68.77
C[NH+]1CCN(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025233877	1	51	0.0	-68.07	413.44	-0.70	-68.77
CC1CN(C)CC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025233959	0	50	0.0	-71.33	401.32	0.42	-70.91
CC1C[N@H+](C)CC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025233959	1	50	0.0	-71.74	401.05	0.43	-71.31
CC1C[N@@H+](C)CC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025233959	1	50	0.0	-71.74	401.05	0.43	-71.31
CCC1CCC[N@H+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025233988	0	55	0.0	-64.36	435.27	2.84	-61.52
CCC1CCC[N@@H+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025233988	1	55	0.0	-64.36	435.27	2.84	-61.52
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300025234020	0	53	0.0	-62.18	419.53	2.56	-59.62
C[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234053	0	49	0.0	-63.22	395.97	1.30	-61.92
C[N@@H+]1CCC(=CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025234152	0	47	0.0	-70.05	392.06	1.29	-68.76
C[N@H+]1CCC(=CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025234152	1	47	0.0	-69.56	393.03	1.35	-68.21
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300025234157	0	45	0.0	-65.30	390.02	-1.00	-66.30
CC1(NC(=O)CSC2=NC(=O)NN2)CN(C(=O)CN=[N+]=[N-])C1	REAL300025234201	0	36	0.0	-22.65	331.24	-4.67	-27.32
CC[NH+]1CCN(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025234208	0	54	0.0	-66.68	430.67	-0.06	-66.74
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300025234211	0	51	0.0	-65.15	410.88	2.21	-62.94
C[NH+](C)C1(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025234244	0	52	0.0	-62.07	394.41	1.92	-60.15
C[N@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300025234252	0	53	0.0	-61.61	424.94	-0.87	-62.48
C[N@@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300025234252	1	53	0.0	-63.51	425.62	-1.00	-64.51
CCC1C[NH+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025234255	1	49	0.0	-65.55	406.87	1.62	-63.93
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300025234258	0	53	0.0	-60.19	408.60	1.99	-58.20
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234270	0	46	0.0	-62.02	380.17	0.74	-61.28
C[N@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234270	1	46	0.0	-62.33	373.35	0.22	-62.11
CC[N@@H+]1CCOCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234292	0	53	0.0	-67.79	417.64	0.08	-67.71
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025234396	0	49	0.0	-64.44	404.03	1.46	-62.98
C[NH+](C)C1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025234407	0	55	0.0	-67.54	423.77	2.23	-65.31
C[NH+](C)CCC1(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025234408	0	52	0.0	-61.21	424.64	2.15	-59.06
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025234409	0	55	0.0	-73.53	423.75	2.22	-71.31
C[N@@H+]1CC=CCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234410	0	50	0.0	-68.11	405.57	1.79	-66.32
C[N@H+]1CC=CCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234410	1	50	0.0	-68.11	405.57	1.79	-66.32
C[NH+](C)CCOCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234462	0	49	0.0	-67.63	410.15	0.82	-66.81
CCCCC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234467	0	57	0.0	-67.86	458.90	3.26	-64.60
CCCCC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234467	1	57	0.0	-67.86	458.90	3.26	-64.60
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025234478	0	53	0.0	-68.23	432.94	1.75	-66.48
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300025234501	0	42	0.0	-62.08	381.71	-0.02	-62.10
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234566	0	52	0.0	-66.82	425.54	1.35	-65.47
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300025234597	0	55	0.0	-66.91	428.27	2.36	-64.55
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300025234600	0	49	0.0	-63.88	396.06	1.60	-62.28
C[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025234602	0	49	0.0	-68.38	390.57	1.21	-67.17
C[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025234602	1	49	0.0	-67.83	389.70	1.38	-66.45
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300025234603	0	53	0.0	-65.87	427.83	-1.02	-66.89
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300025234604	0	52	0.0	-63.43	405.39	1.79	-61.64
CN1C=C[N+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025234609	0	44	0.0	-63.68	385.87	3.31	-60.37
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025234624	1	49	0.0	-69.32	416.84	1.57	-67.75
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300025234639	1	50	0.0	-67.97	407.24	-1.67	-69.64
C[N@@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025234643	1	46	0.0	-62.82	383.72	1.15	-61.67
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300025234645	1	54	0.0	-69.45	431.68	-0.23	-69.68
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300025234647	1	49	0.0	-68.83	408.88	1.54	-67.29
COC1C[N@@H+](C)C(C)(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025234656	1	53	0.0	-62.14	421.82	-0.11	-62.25
CCOCC(N=[N+]=[N-])C(=O)N1CC(C)(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025234664	0	46	0.0	-22.40	406.54	-4.01	-26.41
CC(CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025234672	0	51	0.0	-67.86	411.93	1.83	-66.03
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300025234684	0	51	0.0	-64.31	408.51	0.00	-64.31
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300025234684	1	51	0.0	-69.50	412.60	0.04	-69.46
CN1CCOCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234701	0	50	0.0	-61.20	397.54	-0.50	-61.70
C[N@@H+]1CCOCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234701	1	50	0.0	-64.48	397.43	-0.59	-65.07
C[N@H+]1CCOCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234701	1	50	0.0	-61.20	397.54	-0.50	-61.70
CC[NH+]1CCN(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025234709	0	54	0.0	-66.68	430.67	-0.06	-66.74
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300025234798	1	50	0.0	-64.30	410.56	-1.79	-66.09
C[NH+]1CC(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025234830	0	46	0.0	-67.78	385.59	0.55	-67.23
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300025234834	1	53	0.0	-62.79	419.27	2.21	-60.58
C[NH+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234842	0	42	0.0	-65.45	354.29	-0.27	-65.72
C[N@H+](CCO)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234868	0	49	0.0	-66.01	404.75	-2.26	-68.27
C[N@@H+](CCO)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234868	1	49	0.0	-66.67	404.73	-2.29	-68.96
C[C@@H](C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025234869	0	45	0.0	-62.77	371.84	0.11	-62.66
C[N@@H+]1CCCCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234886	0	52	0.0	-58.48	406.03	1.78	-56.70
C[N@H+]1CCCCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234886	1	52	0.0	-67.22	413.56	1.90	-65.32
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025234903	0	49	0.0	-71.94	405.51	1.30	-70.64
CC1CCN1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234907	0	46	0.0	-63.95	385.68	0.89	-63.06
CC1CC[N@@H+]1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234907	1	46	0.0	-62.82	380.68	0.61	-62.21
CC1CC[N@H+]1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234907	1	46	0.0	-63.95	385.68	0.89	-63.06
C[NH+](C)CC=CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234918	0	46	0.0	-70.70	391.40	0.95	-69.75
CC1(C)C[NH+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025234929	1	49	0.0	-64.38	404.80	1.40	-62.98
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300025234944	1	50	0.0	-61.02	424.53	1.01	-60.01
C[NH+](C)CCSCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234961	0	49	0.0	-71.16	421.17	1.67	-69.49
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300025234984	1	50	0.0	-63.40	408.94	-1.61	-65.01
CC[NH+](CC)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025234988	0	48	0.0	-62.47	390.74	1.15	-61.32
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC2)C1	REAL300025234999	1	43	0.0	-64.74	364.52	0.23	-64.51
CC[NH+](CC)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235039	0	51	0.0	-65.31	412.58	1.72	-63.59
C[NH+](C)CC1=CNC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025235096	0	50	0.0	-68.99	416.47	1.06	-67.93
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300025235113	0	53	0.0	-64.26	415.38	-1.61	-65.87
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300025235117	0	51	0.0	-66.81	411.36	0.04	-66.77
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300025235117	1	51	0.0	-67.10	412.38	0.03	-67.07
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025235128	1	46	0.0	-62.57	380.20	0.59	-61.98
CCC(CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025235133	0	54	0.0	-67.65	426.15	2.27	-65.38
C[NH+](C)CC(C)(C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235141	0	51	0.0	-66.59	398.12	1.04	-65.55
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235193	0	49	0.0	-62.41	384.67	0.93	-61.48
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235193	1	49	0.0	-63.21	395.99	1.30	-61.91
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235207	0	52	0.0	-71.00	405.65	-1.45	-72.45
CC1CN2CC[N@H+]1CC2C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235207	1	52	0.0	-71.01	405.68	-1.42	-72.43
C[NH+](C)CC(O)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235227	0	49	0.0	-70.31	406.89	-1.20	-71.51
C[NH+]1C2CCC1CC(C(=O)N1CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025235229	0	53	0.0	-66.22	391.59	1.91	-64.31
C=CCC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025235259	0	49	0.0	-62.25	401.22	1.46	-60.79
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300025235266	0	53	0.0	-62.21	419.14	2.36	-59.85
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300025235266	1	53	0.0	-62.24	419.29	2.38	-59.86
C[NH+]1CCC(C)(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025235277	0	52	0.0	-61.84	404.64	1.37	-60.47
C[NH+]1CCC(O)(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025235279	0	53	0.0	-66.91	424.97	0.17	-66.74
CC1(NC(=O)CSC(N)=[NH2+])CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235303	0	40	0.0	-67.86	363.17	-3.31	-71.17
CCN1CCOCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235326	0	53	0.0	-67.35	418.11	0.16	-67.19
CC[N@@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235326	1	53	0.0	-67.04	418.01	0.16	-66.88
CC[N@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235326	1	53	0.0	-67.04	418.01	0.16	-66.88
C[NH+](C)C1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025235337	0	55	0.0	-69.00	426.72	2.51	-66.49
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025235338	0	55	0.0	-58.76	426.90	2.53	-56.23
C[N@@H+]1CC=CCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235339	0	50	0.0	-60.73	400.82	1.81	-58.92
C[N@H+]1CC=CCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235339	1	50	0.0	-60.73	400.82	1.81	-58.92
C[C@@H](OCC[NH+](C)C)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235359	0	52	0.0	-64.15	430.26	1.49	-62.66
C[NH+]1C2CCC1CC(C(=O)NC1(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025235377	0	53	0.0	-66.80	391.83	2.03	-64.77
C[N@H+]1CCC[C@H]1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235456	1	46	0.0	-67.94	374.40	0.37	-67.57
CC1(NC(=O)CC[N@H+]2CCC(F)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235463	1	49	0.0	-70.51	408.53	1.56	-68.95
CC1(NC(=O)CC[NH+]2CCCCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235477	0	55	0.0	-69.89	428.44	2.46	-67.43
CC1(NC(=O)C[NH+]2CCCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235479	0	49	0.0	-66.30	396.03	1.61	-64.69
CC1C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025235486	0	49	0.0	-65.68	401.19	1.23	-64.45
CC1C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025235486	1	49	0.0	-67.02	390.02	0.79	-66.23
C[N@@H+]1CCCCC1CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235488	0	55	0.0	-67.39	435.71	2.74	-64.65
C[N@H+]1CCCCC1CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235488	1	55	0.0	-65.84	435.79	2.76	-63.08
CC1(NC(=O)C2CC[N@@H+]3CCOCC23)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235507	0	51	0.0	-71.03	413.45	0.10	-70.93
CC1(NC(=O)C2CC[N@H+]3CCOCC23)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235507	1	51	0.0	-70.52	413.27	0.03	-70.49
CN1CCOCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235524	0	50	0.0	-62.76	397.76	-0.52	-63.28
C[N@@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235524	1	50	0.0	-72.45	405.16	-0.36	-72.81
C[N@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235524	1	50	0.0	-62.76	397.76	-0.52	-63.28
CC1=C(C)[NH+]=C(CCC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300025235531	1	50	0.0	-62.61	424.89	1.11	-61.50
CCOCC(N=[N+]=[N-])C(=O)NC1(C)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025235534	0	46	0.0	-22.41	407.60	-3.89	-26.30
C[NH+](C)CCSCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235596	0	49	0.0	-71.66	421.20	1.67	-69.99
CC1(NC(=O)C2CC3COCC[N@@H+]3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235601	0	51	0.0	-67.51	412.81	0.17	-67.34
CC1(NC(=O)C2CC3COCC[N@H+]3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235601	1	51	0.0	-65.93	412.76	0.19	-65.74
CN(CC1=CC=C(CNC(=O)C[NH+](C)C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025235636	0	51	0.0	-72.94	428.90	3.54	-69.40
CN(CC1=CC=C(CNC(=O)CN=[N+]=[N-])C=C1)C(=O)CSC1=NC(=O)NN1	REAL300025235641	0	45	0.0	-23.91	405.87	-0.87	-24.78
CN(CC1=CC=C(CNC(=O)CSC2=NC(=O)NN2)C=C1)C(=O)CN=[N+]=[N-]	REAL300025235710	0	45	0.0	-24.81	405.89	-0.94	-25.75
CN(CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1)C(=O)C[NH+](C)C	REAL300025235721	0	51	0.0	-72.06	429.17	3.47	-68.59
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300025235898	0	52	0.0	-69.93	403.08	3.48	-66.45
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300025235898	1	52	0.0	-72.15	399.67	3.20	-68.95
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CN(C)CCO2)CC1	REAL300025235922	0	53	0.0	-82.46	414.15	2.89	-79.57
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@H+](C)CCO2)CC1	REAL300025235922	1	53	0.0	-74.26	407.35	2.73	-71.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@@H+](C)CCO2)CC1	REAL300025235922	1	53	0.0	-82.46	414.15	2.89	-79.57
CC1=[NH+]C=CN1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236061	1	50	0.0	-69.61	409.66	4.21	-65.40
C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025236079	0	55	0.0	-74.61	416.62	4.18	-70.43
C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025236079	1	55	0.0	-76.46	423.33	3.85	-72.61
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1	REAL300025236099	0	55	0.0	-74.61	405.62	3.53	-71.08
CC(C)[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025236101	0	57	0.0	-70.85	420.43	4.15	-66.70
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1	REAL300025236110	0	55	0.0	-71.40	427.55	4.63	-66.77
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1	REAL300025236110	1	55	0.0	-71.18	427.40	4.63	-66.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300025236134	0	55	0.0	-77.66	425.41	4.22	-73.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)CC1	REAL300025236140	1	55	0.0	-69.33	421.61	4.23	-65.10
CC1=C[NH+]=CN1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236157	1	50	0.0	-72.28	411.07	4.99	-67.29
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@H+](C)C2)CC1	REAL300025236167	0	55	0.0	-75.17	427.99	4.32	-70.85
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@@H+](C)C2)CC1	REAL300025236167	1	55	0.0	-75.52	428.12	4.26	-71.26
CCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025236170	0	54	0.0	-69.67	405.95	3.44	-66.23
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCCC[NH+](C)C)CC1	REAL300025236184	0	57	0.0	-75.61	446.68	4.83	-70.78
CC(C)C(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025236187	0	57	0.0	-72.37	424.19	4.17	-68.20
CCC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236188	0	57	0.0	-76.28	442.91	4.65	-71.63
CCC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236188	1	57	0.0	-76.36	442.90	4.65	-71.71
CCC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236189	0	54	0.0	-73.58	420.50	4.05	-69.53
CCC[N@@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236189	1	54	0.0	-73.60	420.50	4.04	-69.56
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	REAL300025236204	0	52	0.0	-70.00	402.79	3.42	-66.58
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	REAL300025236204	1	52	0.0	-72.23	399.74	3.19	-69.04
CC[NH+](CC)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236216	0	54	0.0	-71.61	417.30	4.00	-67.61
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1	REAL300025236270	0	55	0.0	-72.18	428.26	4.14	-68.04
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1	REAL300025236292	0	55	0.0	-77.66	425.41	4.22	-73.44
CC(C)[C@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025236307	0	57	0.0	-72.14	424.51	4.19	-67.95
CC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236334	0	54	0.0	-75.48	421.41	3.91	-71.57
CC[N@@H+](C)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236334	1	54	0.0	-75.22	421.37	3.91	-71.31
CC1CCC[N@@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236344	0	55	0.0	-70.08	420.04	4.03	-66.05
CC1CCC[N@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236344	1	55	0.0	-69.98	420.01	4.02	-65.96
CC1CC[N@H+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025236345	0	55	0.0	-73.04	427.36	4.37	-68.67
CC1CC[N@@H+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025236345	1	55	0.0	-72.73	427.49	4.39	-68.34
CC[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025236347	0	54	0.0	-71.19	411.78	3.70	-67.49
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)CC1	REAL300025236383	0	48	0.0	-74.00	381.31	2.65	-71.35
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N+]2=CN(C)C=C2)CC1	REAL300025236384	0	50	0.0	-70.82	412.54	6.16	-64.66
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+](C)C2)CC1	REAL300025236387	0	55	0.0	-72.32	417.47	4.33	-67.99
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+](C)C2)CC1	REAL300025236387	1	55	0.0	-72.07	417.42	4.33	-67.74
CC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025236394	0	52	0.0	-71.29	409.03	3.54	-67.75
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)C[NH+](C)C)CC1	REAL300025236397	0	57	0.0	-69.15	418.06	3.71	-65.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CC2)CC1	REAL300025236404	0	52	0.0	-71.17	410.74	4.05	-67.12
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CC2)CC1	REAL300025236404	1	52	0.0	-70.31	410.54	4.04	-66.27
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2C[NH+](C)C2)CC1	REAL300025236415	0	52	0.0	-75.04	412.56	3.50	-71.54
C[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025236427	0	51	0.0	-71.15	398.03	3.05	-68.10
CN(C(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])CC1	REAL300025236434	0	42	0.0	-23.51	358.29	-1.76	-25.27
C[C@@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025236465	0	51	0.0	-71.15	398.03	3.05	-68.10
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1	REAL300025236468	0	55	0.0	-69.68	420.62	4.16	-65.52
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1	REAL300025236468	1	55	0.0	-71.07	410.67	3.68	-67.39
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025236495	1	49	0.0	-74.03	391.44	3.06	-70.97
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@H+](C)C2)CC1	REAL300025236504	0	53	0.0	-76.99	418.21	4.24	-72.75
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@@H+](C)C2)CC1	REAL300025236504	1	53	0.0	-76.73	419.12	4.19	-72.54
C[C@H](C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025236522	0	51	0.0	-71.16	397.25	3.00	-68.16
CC1C[NH+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025236538	1	52	0.0	-73.46	412.61	3.73	-69.73
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CCO)CC1	REAL300025236551	1	52	0.0	-74.18	409.35	0.07	-74.11
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CCO)CC1	REAL300025236551	1	52	0.0	-73.79	409.19	0.09	-73.70
CC(CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025236563	0	57	0.0	-75.02	438.60	4.72	-70.30
CC[N@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236565	0	51	0.0	-73.14	399.00	3.30	-69.84
CC[N@@H+](C)CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236565	1	51	0.0	-73.21	399.00	3.31	-69.90
CC[N@H+](CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025236575	0	55	0.0	-69.53	429.87	4.66	-64.87
CC[N@@H+](CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025236575	1	55	0.0	-71.99	422.66	4.55	-67.44
CC[NH+](CC)CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236581	0	57	0.0	-74.55	434.91	4.35	-70.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1	REAL300025236589	1	55	0.0	-73.95	431.93	4.27	-69.68
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+](C)C)CC1	REAL300025236596	0	52	0.0	-77.60	417.48	3.90	-73.70
CC(CCC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025236613	0	57	0.0	-76.43	434.61	4.42	-72.01
CC[N@@H+]1CCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236617	0	52	0.0	-70.25	404.42	3.27	-66.98
CC[N@H+]1CCC1C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236617	1	52	0.0	-72.42	411.88	3.59	-68.83
C=CCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025236638	0	55	0.0	-71.02	424.73	4.19	-66.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC3CC3C2)CC1	REAL300025236646	0	53	0.0	-73.37	416.78	4.54	-68.83
CCCC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025236651	0	57	0.0	-70.36	430.89	4.33	-66.03
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)[NH+](C)C)CC1	REAL300025236653	0	54	0.0	-71.98	402.27	3.35	-68.63
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)CC1	REAL300025236663	0	55	0.0	-71.08	410.64	3.68	-67.40
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)CC1	REAL300025236663	1	55	0.0	-69.33	421.61	4.23	-65.10
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CC2)CC1	REAL300025236699	0	52	0.0	-74.60	400.33	3.09	-71.51
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[NH+]2CCCC2)CC1	REAL300025236700	0	55	0.0	-75.04	429.64	4.41	-70.63
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@@H+]3C)CC1	REAL300025236710	0	53	0.0	-72.96	408.20	3.55	-69.41
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@H+]3C)CC1	REAL300025236710	1	53	0.0	-72.26	408.19	3.73	-68.53
CC(C[NH+](C)C)C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236745	0	54	0.0	-74.98	417.75	3.71	-71.27
CC(C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300025236765	0	55	0.0	-71.01	429.98	4.15	-66.86
CC1CC[N@@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236766	0	52	0.0	-72.35	412.63	3.73	-68.62
CC1CC[N@H+]1CC(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236766	1	52	0.0	-72.07	412.63	3.73	-68.34
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CC1	REAL300025236797	0	55	0.0	-73.55	430.42	4.40	-69.15
CC(CC[NH+](C)C)C(=O)N1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236798	0	57	0.0	-74.89	440.16	4.35	-70.54
CN(C(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236967	0	52	0.0	-68.44	403.99	3.55	-64.89
CN(C(=O)C1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236967	1	52	0.0	-69.84	400.43	3.22	-66.62
CN(C(=O)C1C[N@H+](C)CCO1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236993	1	53	0.0	-85.66	414.42	2.89	-82.77
CN(C(=O)C1C[N@@H+](C)CCO1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025236993	1	53	0.0	-81.02	415.27	2.98	-78.04
CN(C(=O)CC1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237141	0	55	0.0	-74.03	427.77	4.31	-69.72
CN(C(=O)CC1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237141	1	55	0.0	-74.12	427.88	4.31	-69.81
CCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025237144	0	54	0.0	-68.27	407.85	3.53	-64.74
CN(C(=O)CCCC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237153	0	57	0.0	-73.80	446.70	4.84	-68.96
CCC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237156	0	57	0.0	-73.65	442.91	4.68	-68.97
CCC[N@@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237156	1	57	0.0	-73.66	442.87	4.67	-68.99
CCC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237157	0	54	0.0	-71.34	420.56	4.09	-67.25
CCC[N@@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237157	1	54	0.0	-71.29	420.53	4.09	-67.20
CN(C(=O)C1(C[NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237187	0	55	0.0	-72.09	429.30	4.26	-67.83
CC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237192	0	54	0.0	-72.86	421.37	3.91	-68.95
CC[N@@H+](C)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237192	1	54	0.0	-72.91	421.41	3.93	-68.98
CN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237207	0	55	0.0	-79.70	423.53	4.12	-75.58
CC1CCC[N@@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237245	0	55	0.0	-68.01	427.37	4.34	-63.67
CC1CCC[N@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237245	1	55	0.0	-67.72	419.99	4.06	-63.66
CC1CC[N@H+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025237260	0	55	0.0	-70.01	427.49	4.32	-65.69
CC1CC[N@@H+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025237260	1	55	0.0	-70.45	427.34	4.40	-66.05
CC[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025237262	0	54	0.0	-69.62	412.19	3.79	-65.83
CC1=[NH+]C=CN1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237296	1	50	0.0	-67.79	410.75	4.28	-63.51
CC1=C[NH+]=CN1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237311	1	50	0.0	-70.60	410.02	4.98	-65.62
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025237312	0	55	0.0	-72.87	417.61	3.98	-68.89
C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025237312	1	55	0.0	-73.63	422.30	3.89	-69.74
CN(C(=O)C[N@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237335	0	55	0.0	-69.42	427.54	4.65	-64.77
CN(C(=O)C[N@@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237335	1	55	0.0	-69.19	427.43	4.64	-64.55
CN(C(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237341	0	55	0.0	-79.70	423.53	4.12	-75.58
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237351	0	52	0.0	-72.35	405.68	3.50	-68.85
CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237351	1	52	0.0	-69.66	400.31	3.24	-66.42
CC1C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025237411	0	55	0.0	-72.92	417.65	3.98	-68.94
CC1C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025237411	1	55	0.0	-69.90	427.54	4.12	-65.78
C[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025237445	0	51	0.0	-69.42	396.33	2.99	-66.43
CN(C(=O)CC[NH+]1CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237463	0	55	0.0	-72.30	429.60	4.42	-67.88
CN(C(=O)C[N@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237468	1	52	0.0	-71.86	409.39	0.11	-71.75
CN(C(=O)C[N@@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237468	1	52	0.0	-71.61	409.19	0.09	-71.52
CC1C[NH+](CC(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025237507	1	52	0.0	-71.64	411.35	3.81	-67.83
CC[N@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237532	0	51	0.0	-71.00	399.06	3.34	-67.66
CC[N@@H+](C)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237532	1	51	0.0	-70.98	399.04	3.34	-67.64
CC(CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025237577	0	57	0.0	-71.46	438.69	4.46	-67.00
CC[N@H+](CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025237581	0	55	0.0	-67.62	429.91	4.72	-62.90
CC[N@@H+](CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025237581	1	55	0.0	-67.76	430.16	4.73	-63.03
CC(C[NH+](C)C)C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237600	0	54	0.0	-67.34	414.57	3.79	-63.55
C[C@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025237612	0	51	0.0	-69.48	397.76	3.02	-66.46
CC[N@@H+]1CCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237615	1	52	0.0	-70.47	411.36	3.54	-66.93
CC[N@H+]1CCC1C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237615	1	52	0.0	-70.30	412.45	3.64	-66.66
CN(C(=O)C1=C[NH+]=CC=C1N)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237625	0	48	0.0	-71.88	390.86	0.60	-71.28
CCCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025237629	0	57	0.0	-69.33	430.81	4.39	-64.94
CC(CC[NH+](C)C)C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237639	0	57	0.0	-72.84	436.46	4.28	-68.56
CN(C(=O)C[NH+]1CC2CC2C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237695	0	53	0.0	-71.21	416.66	4.54	-66.67
CN(C(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237702	0	55	0.0	-67.78	421.70	4.25	-63.53
CN(C(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237702	1	55	0.0	-69.02	409.76	3.78	-65.24
CN(C(=O)C=C1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237721	0	53	0.0	-74.90	419.33	4.24	-70.66
CN(C(=O)C=C1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237721	1	53	0.0	-75.00	419.34	4.24	-70.76
CN(C(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025237726	0	42	0.0	-23.04	358.31	-1.73	-24.77
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237739	0	52	0.0	-70.14	400.56	3.22	-66.92
CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237739	1	52	0.0	-72.32	406.60	3.54	-68.78
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237775	0	55	0.0	-72.18	430.44	4.43	-67.75
CN(C(=O)C[NH+]1CCCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237809	0	55	0.0	-70.72	423.14	4.57	-66.15
CN(C(=O)C1CCC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237810	0	55	0.0	-65.90	414.78	4.22	-61.68
CN(C(=O)C1CCC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237810	1	55	0.0	-68.48	415.12	4.26	-64.22
CN(C(=O)C[N+]1=CN(C)C=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237811	0	50	0.0	-68.90	412.56	6.18	-62.72
CN(C(=O)C[N@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237820	0	52	0.0	-68.89	410.71	4.09	-64.80
CN(C(=O)C[N@@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237820	1	52	0.0	-68.88	410.72	4.09	-64.79
CC(CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025237828	0	57	0.0	-73.30	438.36	4.72	-68.58
CN(C(=O)CC1C[NH+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237868	0	52	0.0	-72.32	412.78	3.51	-68.81
CN(C(=O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237875	0	48	0.0	-71.77	381.34	2.66	-69.11
C[C@@H](C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025237883	0	51	0.0	-69.42	396.33	2.99	-66.43
CC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300025237893	0	55	0.0	-72.48	428.68	4.12	-68.36
CC1CC[N@@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237894	1	52	0.0	-69.01	407.04	3.48	-65.53
CC1CC[N@H+]1CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237894	1	52	0.0	-69.06	407.05	3.46	-65.60
CN(C(=O)C=CC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237895	0	52	0.0	-75.64	417.74	3.94	-71.70
CN(C(=O)C[NH+]1CC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237898	1	55	0.0	-71.37	431.95	4.28	-67.09
CC[NH+](CC)CC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237911	0	54	0.0	-69.44	417.16	4.03	-65.41
CN(C(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237916	1	49	0.0	-71.39	391.37	3.08	-68.31
CC[NH+](CC)CCC(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237930	0	57	0.0	-72.25	434.94	4.35	-67.90
CC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025237951	1	52	0.0	-72.68	407.97	3.49	-69.19
CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237969	0	55	0.0	-67.69	421.71	4.27	-63.42
CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237969	1	55	0.0	-69.11	409.70	3.76	-65.35
C=CCC(C(=O)N(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025237985	0	55	0.0	-67.47	422.53	4.05	-63.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CSC(N)=[NH2+])CC1	REAL300025238005	0	46	0.0	-75.22	389.84	-0.39	-75.61
CCC1C[NH+](CC(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025238060	0	55	0.0	-74.65	433.76	4.45	-70.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300025238064	0	52	0.0	-70.89	399.88	3.17	-67.72
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300025238064	1	52	0.0	-70.16	406.28	3.54	-66.62
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCCCC2)CC1	REAL300025238071	0	55	0.0	-72.93	423.06	4.51	-68.42
CC1C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025238075	0	55	0.0	-72.03	421.70	3.80	-68.23
CC1C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025238075	1	55	0.0	-73.10	418.56	3.71	-69.39
C[N@@H+]1CCCC1C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238221	0	55	0.0	-52.91	417.42	4.12	-48.79
C[N@H+]1CCCC1C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238221	1	55	0.0	-52.33	417.59	4.21	-48.12
CCC(C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025238312	0	57	0.0	-51.48	424.30	4.31	-47.17
CCC[N@H+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238316	0	57	0.0	-66.32	430.51	4.02	-62.30
CCC[N@@H+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238316	1	57	0.0	-66.55	430.50	4.02	-62.53
C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238322	0	55	0.0	-61.81	411.08	3.12	-58.69
C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238322	1	55	0.0	-51.83	418.04	4.21	-47.62
CC[NH+](CC)CC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238325	0	57	0.0	-51.55	427.45	4.49	-47.06
CC[N@H+](C)CCC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238365	0	57	0.0	-68.80	431.36	3.82	-64.98
CC[N@@H+](C)CCC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238365	1	57	0.0	-68.54	431.37	3.84	-64.70
CC[C@@H](C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025238368	0	57	0.0	-68.00	425.05	3.62	-64.38
C[NH+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238383	0	51	0.0	-54.64	391.80	3.16	-51.48
CC(C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025238387	1	55	0.0	-63.05	421.39	3.46	-59.59
C[N@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025238393	0	55	0.0	-63.46	420.55	4.02	-59.44
C[N@@H+](CC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025238393	1	55	0.0	-64.59	420.68	4.02	-60.57
C[NH+]1CC(CC(=O)NC(C)(C)C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025238398	0	55	0.0	-59.97	423.25	3.98	-55.99
C[C@@H](C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025238405	0	54	0.0	-67.24	409.52	2.95	-64.29
CC(C)(NC(=O)CN=[N+]=[N-])C1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025238408	0	45	0.0	-19.98	368.26	-1.12	-21.10
C[C@@H](C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025238423	0	54	0.0	-67.24	409.52	2.95	-64.29
CC(C)(NC(=O)C[NH+]1CCC1)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238439	1	52	0.0	-66.16	401.32	3.02	-63.14
C[C@H](C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025238447	0	54	0.0	-63.36	409.45	2.92	-60.44
CC1C[NH+](CC(=O)NC(C)(C)C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025238453	1	55	0.0	-67.36	421.30	3.76	-63.60
CC[N@H+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238467	0	54	0.0	-66.02	409.01	3.29	-62.73
CC[N@@H+](C)CC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238467	1	54	0.0	-66.16	409.01	3.29	-62.87
C[NH+](C)CC=CC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238481	0	55	0.0	-62.85	427.75	4.38	-58.47
CC[N@@H+]1CCC1C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238486	1	55	0.0	-51.52	415.84	3.97	-47.55
CC[N@H+]1CCC1C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238486	1	55	0.0	-66.58	422.78	3.58	-63.00
CC(C[NH+](C)C)C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238527	0	57	0.0	-57.02	430.20	4.41	-52.61
CC1CC[N@@H+]1CC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238535	1	55	0.0	-52.12	423.16	4.24	-47.88
CC1CC[N@H+]1CC(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238535	1	55	0.0	-52.83	417.52	3.97	-48.86
C[N@@H+]1CCCC1C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238642	0	55	0.0	-62.97	407.06	3.49	-59.48
C[N@H+]1CCCC1C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238642	1	55	0.0	-68.73	410.45	3.66	-65.07
CCC(C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025238713	0	57	0.0	-66.01	416.81	3.40	-62.61
CCC[N@H+](C)CC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238716	0	57	0.0	-68.62	430.36	3.90	-64.72
CCC[N@@H+](C)CC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238716	1	57	0.0	-68.46	429.82	3.88	-64.58
CC[N@H+](C)CCC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238732	0	57	0.0	-69.02	431.28	4.51	-64.51
CC[N@@H+](C)CCC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238732	1	57	0.0	-68.06	431.79	4.39	-63.67
CC[C@@H](C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025238757	0	57	0.0	-64.94	417.91	3.98	-60.96
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238794	0	55	0.0	-64.91	405.80	3.51	-61.40
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238794	1	55	0.0	-63.20	413.78	3.90	-59.30
C[C@@H](C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025238838	0	54	0.0	-66.07	407.80	3.39	-62.68
CC1C[NH+](CC(=O)N2CCCC2C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025238862	1	55	0.0	-67.06	422.82	4.25	-62.81
CC[N@H+](C)CC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238878	0	54	0.0	-68.22	408.86	3.16	-65.06
CC[N@@H+](C)CC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238878	1	54	0.0	-68.10	408.32	3.12	-64.98
CC(C[NH+](C)C)C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238903	0	57	0.0	-66.78	426.04	3.66	-63.12
C[C@H](C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025238907	0	54	0.0	-68.25	408.04	2.91	-65.34
CC[N@@H+]1CCC1C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238910	1	55	0.0	-67.06	423.27	3.99	-63.07
CC[N@H+]1CCC1C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238910	1	55	0.0	-66.80	422.42	4.00	-62.80
CC(C)(NC(=O)CSC1=NC(=O)NN1)C1CCCN1C(=O)CN=[N+]=[N-]	REAL300025238957	0	45	0.0	-23.10	368.11	-1.90	-25.00
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238966	0	55	0.0	-64.97	412.56	3.34	-61.63
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025238966	1	55	0.0	-68.83	410.90	3.57	-65.26
C[N@H+](CC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025238996	0	55	0.0	-65.77	420.41	3.90	-61.87
C[N@@H+](CC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025238996	1	55	0.0	-64.81	421.09	4.56	-60.25
C[NH+]1CC(CC(=O)N2CCCC2C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025239020	0	55	0.0	-67.57	423.46	3.88	-63.69
C[NH+](C)CC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025239023	0	51	0.0	-67.02	392.06	3.04	-63.98
C[C@@H](C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025239026	0	54	0.0	-66.07	407.80	3.39	-62.68
CC1CC[N@@H+]1CC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025239031	1	55	0.0	-66.47	417.02	3.36	-63.11
CC1CC[N@H+]1CC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025239031	1	55	0.0	-66.16	423.33	4.17	-61.99
C[NH+](C)CC=CC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025239032	0	55	0.0	-70.81	427.52	3.79	-67.02
CC[NH+](CC)CC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025239038	0	57	0.0	-66.45	422.28	3.58	-62.87
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN1C(=O)C[NH+]1CCC1	REAL300025239039	1	52	0.0	-67.18	402.35	3.52	-63.66
CC(C(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025239056	1	55	0.0	-65.19	415.81	3.94	-61.25
C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239111	0	55	0.0	-64.08	416.92	3.56	-60.52
C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239111	1	55	0.0	-69.33	411.29	3.07	-66.26
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300025239289	0	52	0.0	-74.03	404.51	3.29	-70.74
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300025239289	1	52	0.0	-55.62	382.60	3.51	-52.11
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300025239313	1	53	0.0	-88.96	419.77	3.08	-85.88
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300025239313	1	53	0.0	-72.90	399.21	4.21	-68.69
CC1=[NH+]C=CN1CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239452	1	50	0.0	-52.03	401.63	5.00	-47.03
C[C@@H]1[C@H](C(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025239470	0	55	0.0	-74.85	413.72	3.93	-70.92
C[C@@H]1[C@H](C(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025239470	1	55	0.0	-72.40	419.52	4.16	-68.24
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300025239490	0	55	0.0	-68.29	412.13	3.78	-64.51
CC(C)[C@@H](C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025239492	0	57	0.0	-45.01	407.37	4.68	-40.33
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300025239501	0	55	0.0	-71.31	431.94	4.84	-66.47
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300025239501	1	55	0.0	-68.06	431.30	4.82	-63.24
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300025239525	0	55	0.0	-82.61	426.55	4.32	-78.29
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300025239531	0	55	0.0	-44.02	394.79	4.16	-39.86
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300025239531	1	55	0.0	-71.71	425.45	4.35	-67.36
CC1=C[NH+]=CN1CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239548	1	50	0.0	-74.44	415.33	5.10	-69.34
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300025239558	0	55	0.0	-79.78	432.08	4.38	-75.40
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300025239558	1	55	0.0	-74.19	431.57	4.47	-69.72
CCC(C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025239561	0	54	0.0	-70.44	411.94	3.65	-66.79
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300025239575	0	57	0.0	-73.62	449.85	5.08	-68.54
CC(C)C(C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025239578	0	57	0.0	-45.82	405.37	4.70	-41.12
CCC[N@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239579	0	57	0.0	-78.53	447.37	4.80	-73.73
CCC[N@@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239579	1	57	0.0	-78.22	446.89	4.82	-73.40
CCC[N@H+](C)CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239580	0	54	0.0	-73.85	423.62	4.13	-69.72
CCC[N@@H+](C)CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239580	1	54	0.0	-73.69	424.56	4.24	-69.45
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300025239595	0	52	0.0	-71.12	408.50	3.71	-67.41
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300025239595	1	52	0.0	-75.19	404.38	3.32	-71.87
CC[NH+](CC)CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239607	0	54	0.0	-68.86	420.91	4.19	-64.67
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300025239661	0	55	0.0	-69.42	428.66	4.27	-65.15
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300025239683	0	55	0.0	-82.61	426.55	4.32	-78.29
CC(C)[C@H](C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025239698	0	57	0.0	-57.31	403.49	5.46	-51.85
CC[N@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239725	0	54	0.0	-77.71	425.89	4.05	-73.66
CC[N@@H+](C)CCC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239725	1	54	0.0	-77.60	425.88	4.04	-73.56
CC1CCC[N@@H+]1CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239735	0	55	0.0	-66.95	430.87	4.49	-62.46
CC1CCC[N@H+]1CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239735	1	55	0.0	-49.35	412.94	4.69	-44.66
CC1CC[N@H+](CC(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025239736	0	55	0.0	-69.39	431.14	4.48	-64.91
CC1CC[N@@H+](CC(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025239736	1	55	0.0	-73.85	432.38	4.58	-69.27
CC[C@@H](C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025239738	0	54	0.0	-45.26	392.54	3.86	-41.40
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300025239774	0	48	0.0	-71.33	384.48	2.90	-68.43
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300025239775	0	50	0.0	-72.57	416.33	6.29	-66.28
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300025239778	0	55	0.0	-56.80	416.27	3.85	-52.95
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300025239778	1	55	0.0	-72.12	424.03	4.25	-67.87
CC(C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025239785	1	52	0.0	-55.97	394.93	4.15	-51.82
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300025239788	0	57	0.0	-68.95	419.09	3.94	-65.01
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300025239795	0	52	0.0	-71.76	414.57	4.19	-67.57
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300025239795	1	52	0.0	-70.75	415.05	4.20	-66.55
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300025239806	0	52	0.0	-47.74	400.10	4.55	-43.19
C[C@@H](C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025239818	0	51	0.0	-73.55	401.15	3.15	-70.40
CN(CC1CCCN1C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300025239825	0	42	0.0	-28.08	362.76	-1.61	-29.69
C[C@@H](C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025239856	0	51	0.0	-73.55	401.15	3.15	-70.40
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025239859	0	55	0.0	-70.88	425.75	4.39	-66.49
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300025239859	1	55	0.0	-46.30	397.98	4.35	-41.95
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300025239886	1	49	0.0	-74.70	395.88	3.20	-71.50
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300025239895	0	53	0.0	-74.98	422.37	4.44	-70.54
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300025239895	1	53	0.0	-80.29	423.78	4.35	-75.94
C[C@H](C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025239913	0	51	0.0	-57.59	378.56	4.08	-53.51
CC1C[NH+](CC(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025239929	1	52	0.0	-49.47	398.38	4.81	-44.66
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300025239942	1	52	0.0	-74.53	413.42	0.26	-74.27
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300025239942	1	52	0.0	-73.84	411.46	0.51	-73.33
CC(CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025239954	0	57	0.0	-73.47	441.67	4.94	-68.53
CC[N@H+](C)CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239956	0	51	0.0	-49.13	387.92	4.09	-45.04
CC[N@@H+](C)CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239956	1	51	0.0	-73.58	403.01	3.49	-70.09
CC[N@H+](CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025239966	0	55	0.0	-66.55	433.00	4.89	-61.66
CC[N@@H+](CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025239966	1	55	0.0	-43.93	413.69	5.03	-38.90
CC[NH+](CC)CCC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239972	0	57	0.0	-71.16	442.62	4.83	-66.33
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300025239980	1	55	0.0	-74.74	436.20	4.35	-70.39
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300025239987	0	52	0.0	-82.21	420.93	4.02	-78.19
CC(CCC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025240004	0	57	0.0	-73.28	438.17	4.63	-68.65
CC[N@@H+]1CCC1C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025240008	1	52	0.0	-69.14	414.57	3.73	-65.41
CC[N@H+]1CCC1C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025240008	1	52	0.0	-67.02	407.81	3.52	-63.50
C=CCC(C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025240029	0	55	0.0	-73.21	428.23	4.29	-68.92
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300025240037	0	53	0.0	-74.49	421.18	4.66	-69.83
CCCC(C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025240042	0	57	0.0	-70.72	435.82	4.67	-66.05
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300025240044	0	54	0.0	-56.30	389.75	3.88	-52.42
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300025240054	0	55	0.0	-44.02	394.79	4.16	-39.86
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300025240054	1	55	0.0	-71.71	425.45	4.35	-67.36
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300025240090	0	52	0.0	-58.07	391.36	4.13	-53.94
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300025240091	0	55	0.0	-77.79	432.51	4.44	-73.35
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300025240101	0	53	0.0	-81.96	410.41	4.03	-77.93
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C	REAL300025240101	1	53	0.0	-79.59	411.49	4.15	-75.44
CC(C[NH+](C)C)C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025240136	0	54	0.0	-65.76	421.68	3.95	-61.81
CC(C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025240156	0	55	0.0	-46.76	410.99	4.36	-42.40
CC1CC[N@@H+]1CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025240157	1	52	0.0	-68.70	416.54	3.94	-64.76
CC1CC[N@H+]1CC(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025240157	1	52	0.0	-52.10	405.33	4.36	-47.74
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025240188	0	55	0.0	-70.62	433.46	4.53	-66.09
CC(CC[NH+](C)C)C(=O)N(C)CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025240189	0	57	0.0	-78.17	440.93	4.41	-73.76
CN(CC1CCCN1C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240358	0	52	0.0	-68.96	403.78	3.38	-65.58
CN(CC1CCCN1C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240358	1	52	0.0	-66.78	407.31	3.81	-62.97
CN(CC1CCCN1C(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240532	0	55	0.0	-72.40	432.22	4.52	-67.88
CN(CC1CCCN1C(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240532	1	55	0.0	-77.78	432.22	4.43	-73.35
CCC(C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025240535	0	54	0.0	-69.15	414.26	3.77	-65.38
CN(CC1CCCN1C(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240544	0	57	0.0	-79.37	450.65	5.02	-74.35
CCC[N@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240547	0	57	0.0	-77.96	447.47	4.79	-73.17
CCC[N@@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240547	1	57	0.0	-78.02	447.47	4.78	-73.24
CCC[N@H+](C)CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240548	0	54	0.0	-69.83	425.45	4.29	-65.54
CCC[N@@H+](C)CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240548	1	54	0.0	-69.82	424.09	4.27	-65.55
CN(CC1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240578	0	55	0.0	-65.62	402.62	4.42	-61.20
CC[N@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240583	0	54	0.0	-77.40	425.88	4.05	-73.35
CC[N@@H+](C)CCC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240583	1	54	0.0	-77.30	425.88	4.05	-73.25
CN(CC1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240598	0	55	0.0	-73.65	425.78	4.30	-69.35
CC1CCC[N@@H+]1CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240636	0	55	0.0	-66.32	423.04	4.27	-62.05
CC1CCC[N@H+]1CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240636	1	55	0.0	-71.18	431.24	4.54	-66.64
CC1CC[N@H+](CC(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025240651	0	55	0.0	-68.95	430.92	4.61	-64.34
CC1CC[N@@H+](CC(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025240651	1	55	0.0	-69.10	430.56	4.62	-64.48
CC[C@@H](C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025240653	0	54	0.0	-50.13	393.13	3.97	-46.16
CC1=[NH+]C=CN1CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240687	1	50	0.0	-65.76	414.26	4.49	-61.27
CC1=C[NH+]=CN1CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240702	1	50	0.0	-69.11	413.57	5.17	-63.94
C[C@@H]1[C@H](C(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025240703	0	55	0.0	-73.62	420.85	3.82	-69.80
C[C@@H]1[C@H](C(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025240703	1	55	0.0	-77.84	425.45	4.35	-73.49
CN(CC1CCCN1C(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240726	0	55	0.0	-67.86	431.36	4.86	-63.00
CN(CC1CCCN1C(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240726	1	55	0.0	-67.40	432.36	4.87	-62.53
CN(CC1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240732	0	55	0.0	-73.65	425.78	4.30	-69.35
CN(CC1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240742	0	52	0.0	-66.43	406.89	3.74	-62.69
CN(CC1CCCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240742	1	52	0.0	-74.21	403.41	3.33	-70.88
CC1C(C(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025240802	0	55	0.0	-68.81	422.91	3.96	-64.85
CC1C(C(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025240802	1	55	0.0	-81.83	420.85	3.85	-77.98
C[C@@H](C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025240836	0	51	0.0	-68.08	401.32	3.26	-64.82
CN(CC1CCCN1C(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240854	0	55	0.0	-77.45	432.61	4.44	-73.01
CN(CC1CCCN1C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240859	1	52	0.0	-70.50	412.95	0.29	-70.21
CN(CC1CCCN1C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240859	1	52	0.0	-70.49	411.73	0.61	-69.88
CC1C[NH+](CC(=O)N2CCCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025240898	1	52	0.0	-69.73	416.38	3.97	-65.76
CC[N@H+](C)CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240923	0	51	0.0	-69.55	403.41	3.53	-66.02
CC[N@@H+](C)CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240923	1	51	0.0	-69.46	402.59	3.53	-65.93
CC(CCC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025240968	0	57	0.0	-79.57	438.28	4.60	-74.97
CC[N@H+](CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025240972	0	55	0.0	-68.69	429.49	4.64	-64.05
CC[N@@H+](CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025240972	1	55	0.0	-54.66	404.67	5.21	-49.45
CC(C[NH+](C)C)C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240991	0	54	0.0	-71.26	420.90	3.95	-67.31
C[C@H](C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025241003	0	51	0.0	-68.58	399.62	3.20	-65.38
CC[N@@H+]1CCC1C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241006	1	52	0.0	-74.41	417.34	3.79	-70.62
CC[N@H+]1CCC1C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241006	1	52	0.0	-68.61	415.22	3.81	-64.80
CN(CC1CCCN1C(=O)C1=C[NH+]=CC=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241016	0	48	0.0	-52.46	381.94	1.33	-51.13
CCCC(C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025241020	0	57	0.0	-48.72	409.39	4.56	-44.16
CC(CC[NH+](C)C)C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241030	0	57	0.0	-71.34	442.58	4.58	-66.76
CN(CC1CCCN1C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241086	0	53	0.0	-73.59	421.02	4.69	-68.90
CN(CC1CCCN1C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241093	0	55	0.0	-49.47	394.64	4.04	-45.43
CN(CC1CCCN1C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241093	1	55	0.0	-66.26	425.40	4.46	-61.80
CN(CC1CCCN1C(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241112	0	53	0.0	-79.61	421.87	4.36	-75.25
CN(CC1CCCN1C(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241112	1	53	0.0	-51.06	406.85	4.86	-46.20
CN(CC1CCCN1C(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300025241117	0	42	0.0	-27.04	362.26	-1.57	-28.61
CN(CC1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241130	0	52	0.0	-67.66	403.20	3.40	-64.26
CN(CC1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241130	1	52	0.0	-70.24	408.45	3.64	-66.60
CN(CC1CCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241166	0	55	0.0	-70.43	433.29	4.59	-65.84
CN(CC1CCCN1C(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241200	0	55	0.0	-73.75	427.60	4.66	-69.09
CN(CC1CCCN1C(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241201	0	55	0.0	-71.04	425.45	4.23	-66.81
CN(CC1CCCN1C(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241201	1	55	0.0	-43.69	397.73	4.64	-39.05
CN(CC1CCCN1C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241202	0	50	0.0	-66.72	416.09	6.38	-60.34
CN(CC1CCCN1C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241211	0	52	0.0	-70.56	415.15	4.19	-66.37
CN(CC1CCCN1C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241211	1	52	0.0	-67.14	414.00	4.25	-62.89
CC(CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025241219	0	57	0.0	-80.31	442.23	4.84	-75.47
CN(CC1CCCN1C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241259	0	52	0.0	-75.14	416.73	3.69	-71.45
CN(CC1CCCN1C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241266	0	48	0.0	-73.61	385.29	2.83	-70.78
C[C@@H](C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025241274	0	51	0.0	-68.08	401.32	3.26	-64.82
CC(C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025241284	0	55	0.0	-46.74	409.02	4.73	-42.01
CC1CC[N@@H+]1CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241285	1	52	0.0	-67.85	410.61	3.71	-64.14
CC1CC[N@H+]1CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241285	1	52	0.0	-71.92	410.26	3.57	-68.35
CN(CC1CCCN1C(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241286	0	52	0.0	-80.24	420.08	4.04	-76.20
CN(CC1CCCN1C(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241289	1	55	0.0	-69.65	435.63	4.45	-65.20
CC[NH+](CC)CC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241302	0	54	0.0	-71.41	417.00	3.89	-67.52
CN(CC1CCCN1C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241307	1	49	0.0	-69.98	395.54	3.36	-66.62
CC[NH+](CC)CCC(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241321	0	57	0.0	-75.37	442.70	4.78	-70.59
CC(C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025241342	0	52	0.0	-67.48	409.42	3.68	-63.80
CN(CC1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241360	0	55	0.0	-70.13	426.36	4.37	-65.76
CN(CC1CCCN1C(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241360	1	55	0.0	-63.79	394.98	4.61	-59.18
C=CCC(C(=O)N1CCCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025241376	0	55	0.0	-67.97	427.41	4.22	-63.75
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300025241396	0	46	0.0	-72.22	392.40	-0.08	-72.30
CCC1C[NH+](CC(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025241451	1	55	0.0	-51.84	421.44	4.99	-46.85
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025241455	0	52	0.0	-70.56	398.43	3.19	-67.37
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300025241455	1	52	0.0	-44.41	386.23	3.84	-40.57
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300025241462	0	55	0.0	-69.92	426.80	4.71	-65.21
CC1C(C(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025241466	0	55	0.0	-73.91	423.66	3.85	-70.06
CC1C(C(=O)N(C)CC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025241466	1	55	0.0	-64.62	404.86	5.10	-59.52
CC(CCNC(=O)C1CCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241673	0	51	0.0	-73.31	405.45	2.00	-71.31
CC(CCNC(=O)C1CCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241673	1	51	0.0	-72.95	405.40	2.00	-70.95
CC(CCNC(=O)C1C[N@H+](C)CCO1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241697	1	52	0.0	-88.75	422.84	1.91	-86.84
CC(CCNC(=O)C1C[N@@H+](C)CCO1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241697	1	52	0.0	-77.93	415.72	1.76	-76.17
CC(C)[N@@H+]1CCCC1C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241840	0	57	0.0	-68.50	447.27	3.67	-64.83
CC(C)[N@H+]1CCCC1C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241840	1	57	0.0	-69.09	444.25	3.57	-65.52
CC1=[NH+]C=CN1CC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241862	1	49	0.0	-69.92	414.89	3.07	-66.85
CC(CCNC(=O)C1C[NH+]2CCC1CC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241880	0	55	0.0	-81.85	426.82	3.25	-78.60
CC(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241906	0	54	0.0	-79.53	422.05	2.43	-77.10
CC(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241906	1	54	0.0	-75.50	427.53	2.95	-72.55
CC[C@@H]1[C@@H](C(=O)NCCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025241908	0	57	0.0	-76.69	442.94	3.14	-73.55
CC[C@@H]1[C@@H](C(=O)NCCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025241908	1	57	0.0	-74.14	446.47	3.66	-70.48
CC(CCNC(=O)C[NH+]1C(C)CCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241955	0	57	0.0	-69.78	442.49	3.33	-66.45
CC(CCNC(=O)CCC[NH+]1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241957	0	57	0.0	-75.67	455.28	3.99	-71.68
CC(CCNC(=O)CC[NH+]1CCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241959	0	57	0.0	-75.26	449.00	3.85	-71.41
CC[N@@H+]1CCCCC1C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241962	0	57	0.0	-69.34	435.82	3.54	-65.80
CC[N@H+]1CCCCC1C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241962	1	57	0.0	-69.49	435.78	3.54	-65.95
CC(CCNC(=O)C1([NH+](C)C)CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241971	0	54	0.0	-81.42	416.30	3.00	-78.42
CC(C)[C@@H](C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025241977	0	56	0.0	-71.81	435.46	3.67	-68.14
CC(CCNC(=O)C[N@H+](C)C1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241995	0	54	0.0	-71.09	431.57	3.42	-67.67
CC(CCNC(=O)C[N@@H+](C)C1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241995	1	54	0.0	-70.73	431.67	3.43	-67.30
C#CC[N@H+]1CCC[C@H]1C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242045	1	53	0.0	-71.58	432.06	3.23	-68.35
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242045	1	53	0.0	-71.15	437.98	3.73	-67.42
CC(CCNC(=O)CCC1CCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242050	0	57	0.0	-74.07	447.40	3.48	-70.59
CC(CCNC(=O)CCC1CCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242050	1	57	0.0	-78.94	452.84	3.95	-74.99
CC(CCNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242066	0	54	0.0	-80.85	430.05	3.12	-77.73
CC(CCNC(=O)C1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242089	0	54	0.0	-70.36	418.11	2.87	-67.49
CC(CCNC(=O)C1CCCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242089	1	54	0.0	-70.84	418.09	2.88	-67.96
CC1=C[NH+]=CN1CC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242147	1	49	0.0	-73.01	414.16	3.75	-69.26
CC(CCNC(=O)C12CCC[NH+]1CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242163	0	55	0.0	-78.33	430.18	3.45	-74.88
CC(CCNC(=O)CC1CC[N@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242168	0	54	0.0	-78.36	431.77	3.06	-75.30
CC(CCNC(=O)CC1CC[N@@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242168	1	54	0.0	-78.05	431.99	3.04	-75.01
CCC(C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025242174	0	53	0.0	-69.34	416.11	2.44	-66.90
CC(CCNC(=O)CCCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242215	0	56	0.0	-78.37	450.82	3.59	-74.78
CC(C)C(C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025242225	0	56	0.0	-70.62	432.83	3.71	-66.91
CCC[N@H+](C)CCC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242226	0	56	0.0	-76.68	447.05	3.41	-73.27
CCC[N@@H+](C)CCC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242226	1	56	0.0	-76.65	447.05	3.41	-73.24
CCC[N@H+](C)CC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242229	0	53	0.0	-72.96	424.68	2.87	-70.09
CCC[N@@H+](C)CC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242229	1	53	0.0	-72.95	424.68	2.86	-70.09
CC(CCNC(=O)C12CC[N@H+](C1)CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242238	0	55	0.0	-82.38	427.39	2.68	-79.70
CC(CCNC(=O)C12CC[N@@H+](C1)CCC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242238	1	55	0.0	-82.27	427.38	2.69	-79.58
CC(CCNC(=O)[C@H]1CCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242259	0	51	0.0	-69.96	411.73	2.52	-67.44
CC(CCNC(=O)[C@H]1CCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242259	1	51	0.0	-73.31	405.45	2.00	-71.31
CC[NH+](CC)CC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242286	0	53	0.0	-71.59	421.56	2.81	-68.78
CC(CCNC(=O)C[NH+]1CCC(C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242339	0	57	0.0	-73.98	448.41	3.94	-70.04
CC(CCNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242357	0	54	0.0	-77.92	437.08	3.22	-74.70
CC(CCNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242403	0	54	0.0	-80.85	430.05	3.12	-77.73
CC(C)[C@H](C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025242418	0	56	0.0	-70.14	429.07	2.98	-67.16
CC[N@H+](C)CCC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242474	0	53	0.0	-75.81	425.55	2.67	-73.14
CC[N@@H+](C)CCC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242474	1	53	0.0	-75.85	425.55	2.66	-73.19
CC(CCNC(=O)C[N@@H+]1CCCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242496	0	54	0.0	-70.55	430.61	3.23	-67.32
CC(CCNC(=O)C[N@H+]1CCCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242496	1	54	0.0	-69.98	431.48	3.11	-66.87
CC(CCNC(=O)C[N@@H+]1CCC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242497	0	54	0.0	-72.83	430.83	3.20	-69.63
CC(CCNC(=O)C[N@H+]1CCC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242497	1	54	0.0	-72.64	431.32	3.21	-69.43
CC(CCNC(=O)C[N@@H+]1CCC(C)(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242498	0	57	0.0	-72.96	451.02	3.70	-69.26
CC(CCNC(=O)C[N@H+]1CCC(C)(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242498	1	57	0.0	-72.88	451.02	3.70	-69.18
CC[C@@H](C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025242505	0	53	0.0	-69.51	415.69	2.47	-67.04
CC(CCNC(=O)C[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242575	0	47	0.0	-73.50	385.45	1.45	-72.05
CC(CCNC(=O)C[NH+]1CCCCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242578	0	57	0.0	-72.06	436.53	3.51	-68.55
CC(CCNC(=O)C[N+]1=CN(C)C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242580	0	49	0.0	-70.71	416.69	4.96	-65.75
CC(CCNC(=O)C1CCC[N@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242583	0	54	0.0	-75.22	430.01	3.07	-72.15
CC(CCNC(=O)C1CCC[N@@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242583	1	54	0.0	-66.09	423.78	3.27	-62.82
CC(CCNC(=O)C1CCC[N@@H+]1C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242588	0	55	0.0	-76.46	438.37	3.55	-72.91
CC(CCNC(=O)C1CCC[N@H+]1C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242588	1	55	0.0	-72.25	435.87	3.32	-68.93
CC(CCNC(=O)C(C)[NH+]1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242598	1	51	0.0	-71.97	415.46	2.38	-69.59
CC(CCNC(=O)C(C)(C)C[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242606	0	56	0.0	-68.36	432.99	3.15	-65.21
CC(CCNC(=O)C[N@H+](C)C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242617	0	51	0.0	-70.61	414.86	2.86	-67.75
CC(CCNC(=O)C[N@@H+](C)C1CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242617	1	51	0.0	-70.53	414.86	2.86	-67.67
CC(CCNC(=O)CC1C[NH+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242631	0	51	0.0	-75.43	416.89	2.27	-73.16
CC(CCNC(=O)C1CC[N@@H+]1C(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242641	0	57	0.0	-70.92	430.82	2.60	-68.32
CC(CCNC(=O)C1CC[N@H+]1C(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242641	1	57	0.0	-72.45	429.93	2.99	-69.46
CC(CCNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242650	0	50	0.0	-71.86	403.56	1.84	-70.02
CC(CCNC(=O)CN=[N+]=[N-])N(C)C(=O)CSC1=NC(=O)NN1	REAL300025242657	0	41	0.0	-26.00	362.42	-2.96	-28.96
CC(CCNC(=O)CN1C=CSC1=[NH2+])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242698	0	47	0.0	-69.59	412.52	1.63	-67.96
CC(CCNC(=O)CC[N@H+](C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242703	0	54	0.0	-75.48	435.90	-0.56	-76.04
CC(CCNC(=O)CC[N@@H+](C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242703	1	54	0.0	-74.95	435.88	-0.57	-75.52
CC(CCNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242704	0	50	0.0	-71.86	403.56	1.84	-70.02
CC(CCNC(=O)[C@H]1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242707	0	54	0.0	-69.52	427.39	3.04	-66.48
CC(CCNC(=O)[C@H]1CCCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242707	1	54	0.0	-70.36	418.09	2.88	-67.48
CC(CCNC(=O)C[NH+]1CCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242751	1	48	0.0	-73.58	395.55	1.88	-71.70
CC(CCNC(=O)C=C1CC[N@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242763	0	52	0.0	-78.22	424.30	3.00	-75.22
CC(CCNC(=O)C=C1CC[N@@H+](C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242763	1	52	0.0	-78.22	423.34	3.02	-75.20
CC(CCNC(=O)COCC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242781	0	54	0.0	-74.26	441.33	2.51	-71.75
C=CCC(C)(C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025242792	0	57	0.0	-66.32	440.82	3.51	-62.81
CC(CCNC(=O)CN1CC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242823	0	51	0.0	-73.33	416.72	2.55	-70.78
CC(CCNC(=O)C[NH+]1CC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242823	1	51	0.0	-73.33	416.72	2.55	-70.78
CC(CCNC(=O)CN(C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242839	0	51	0.0	-73.81	413.54	-1.12	-74.93
CC(CCNC(=O)C[N@H+](C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242839	1	51	0.0	-73.88	413.32	-1.12	-75.00
CC(CCNC(=O)C[N@@H+](C)CCO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242839	1	51	0.0	-73.88	413.32	-1.12	-75.00
CC[N@@H+]1CCCC(C(=O)NCCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025242856	0	57	0.0	-73.34	447.69	3.73	-69.61
CC[N@H+]1CCCC(C(=O)NCCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025242856	1	57	0.0	-73.34	447.69	3.73	-69.61
CC(CC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025242858	0	56	0.0	-80.61	442.59	3.43	-77.18
CC[N@H+](C)CC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242861	0	50	0.0	-72.96	403.18	2.12	-70.84
CC[N@H+](CC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025242884	0	54	0.0	-72.01	426.85	3.36	-68.65
CC[NH+](CC)CCC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242892	0	56	0.0	-75.43	439.05	3.09	-72.34
CC(CCNC(=O)CN1CC(C)(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242905	0	54	0.0	-73.51	436.29	3.12	-70.39
CC(CCNC(=O)C[NH+]1CC(C)(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242905	1	54	0.0	-73.51	436.29	3.12	-70.39
CC(CCNC(=O)C=CC[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242920	0	51	0.0	-79.53	421.42	2.67	-76.86
COCCN(C)CC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242933	0	54	0.0	-73.70	435.57	1.28	-72.42
COCC[N@H+](C)CC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242933	1	54	0.0	-74.10	435.79	1.29	-72.81
COCC[N@@H+](C)CC(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242933	1	54	0.0	-74.10	435.79	1.29	-72.81
CC(CCNC(=O)C1([NH+](C)C)CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242949	0	57	0.0	-82.11	436.57	3.65	-78.46
CC(CCNC(=O)CCC(C)[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242951	0	56	0.0	-74.80	442.73	3.18	-71.62
CCN1CCC1C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242957	0	51	0.0	-71.07	410.25	2.19	-68.88
CC[N@@H+]1CCC1C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242957	1	51	0.0	-73.02	417.09	2.47	-70.55
CC[N@H+]1CCC1C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242957	1	51	0.0	-73.02	417.09	2.47	-70.55
CC(CCNC(=O)C1(C)CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242981	0	57	0.0	-73.64	442.71	3.52	-70.12
C=CCC(C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025242997	0	54	0.0	-68.85	429.12	2.93	-65.92
CC(CCNC(=O)C1CC(C)(C)C[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243004	0	57	0.0	-68.90	451.44	3.58	-65.32
CC(CCNC(=O)C1CC(C)(C)C[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243004	1	57	0.0	-68.90	451.44	3.58	-65.32
CCCC(C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025243021	0	56	0.0	-70.28	437.36	3.23	-67.05
CC(CCNC(=O)C(C)(C)[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243024	0	53	0.0	-79.72	412.69	2.64	-77.08
CC(CCNC(=O)C1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243044	0	54	0.0	-70.84	418.09	2.88	-67.96
CC(CCNC(=O)CC1=CC[N@H+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243063	0	55	0.0	-69.69	444.58	3.78	-65.91
CC(CCNC(=O)CC1=CC[N@@H+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243063	1	55	0.0	-69.69	444.58	3.78	-65.91
CC(CCNC(=O)C=CC[NH+]1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243092	0	55	0.0	-78.40	446.01	3.73	-74.67
CC(CCNC(=O)CC[NH+]1CCCC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243117	0	54	0.0	-75.34	433.78	3.18	-72.16
CC(CCNC(=O)C1C[NH+]2CCN1CC2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243137	0	54	0.0	-83.68	421.72	-0.09	-83.77
CC(CCNC(=O)C12CC(C1)C[N@@H+]2C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243141	0	52	0.0	-79.58	417.50	2.65	-76.93
CC(CCNC(=O)C[N@@H+]1CC2CCC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243146	0	55	0.0	-71.37	431.86	3.54	-67.83
CC(CCNC(=O)C[N@H+]1CC2CCC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243146	1	55	0.0	-71.37	431.86	3.54	-67.83
CC(CCNC(=O)C[N@@H+]1CC2C=CC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243180	1	53	0.0	-71.82	424.80	3.42	-68.40
CC(CCNC(=O)C[N@H+]1CC2C=CC1C2)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243180	1	53	0.0	-68.88	424.54	3.32	-65.56
CC(C[NH+](C)C)C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243207	0	53	0.0	-75.79	423.86	2.73	-73.06
CC(CCNC(=O)CC1CCCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243243	0	57	0.0	-78.16	444.71	3.65	-74.51
CC(CCNC(=O)CC1CCCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243243	1	57	0.0	-78.31	444.69	3.65	-74.66
CC(CCNC(=O)C(C)[NH+]1CC(C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243252	0	54	0.0	-72.22	435.80	3.12	-69.10
CC(CCNC(=O)C[N@@H+]1CCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243254	1	51	0.0	-72.35	416.79	2.53	-69.82
CC(CCNC(=O)C[N@H+]1CCC1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243254	1	51	0.0	-70.96	411.24	2.27	-68.69
CC(CCNC(=O)CC(O)C[NH+](C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243256	0	54	0.0	-80.54	438.05	0.49	-80.05
CC(CCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243308	0	54	0.0	-75.27	435.01	3.18	-72.09
CC(CC[NH+](C)C)C(=O)NCCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243312	0	56	0.0	-76.02	445.50	3.35	-72.67
CC(CCNC(=O)CN1CC[NH+](C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243327	1	56	0.0	-75.04	444.86	0.97	-74.07
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@@H+]1C	REAL300025243496	0	51	0.0	-64.94	407.68	2.24	-62.70
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@H+]1C	REAL300025243496	1	51	0.0	-64.45	410.38	2.23	-62.22
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@H+](C)CCO1	REAL300025243522	1	52	0.0	-65.47	408.75	1.48	-63.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[N@@H+](C)CCO1	REAL300025243522	1	52	0.0	-76.72	410.71	1.46	-75.26
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CC[N@H+](C)C1	REAL300025243693	0	54	0.0	-73.26	431.90	3.01	-70.25
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CC[N@@H+](C)C1	REAL300025243693	1	54	0.0	-70.69	431.89	3.01	-67.68
CCC(C(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025243699	0	53	0.0	-63.29	413.19	2.27	-61.02
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCCC[NH+](C)C	REAL300025243726	0	56	0.0	-72.79	450.81	3.55	-69.24
CCC[N@H+](C)CCC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025243738	0	56	0.0	-71.06	447.05	3.39	-67.67
CCC[N@@H+](C)CCC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025243738	1	56	0.0	-70.73	447.05	3.38	-67.35
CCC[N@H+](C)CC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025243740	0	53	0.0	-67.68	424.68	2.79	-64.89
CCC[N@@H+](C)CC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025243740	1	53	0.0	-67.87	424.68	2.79	-65.08
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC[N@H+](C1)CCC2	REAL300025243747	0	55	0.0	-70.93	410.45	1.87	-69.06
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C12CC[N@@H+](C1)CCC2	REAL300025243747	1	55	0.0	-76.93	416.64	2.19	-74.74
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCC(C)CC1	REAL300025243769	0	57	0.0	-68.12	448.52	3.87	-64.25
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1(C[NH+](C)C)CC1	REAL300025243797	0	54	0.0	-74.41	432.99	2.94	-71.47
CC[N@H+](C)CCC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025243811	0	53	0.0	-70.39	425.55	2.65	-67.74
CC[N@@H+](C)CCC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025243811	1	53	0.0	-70.08	425.55	2.64	-67.44
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1C[NH+]2CCC1CC2	REAL300025243821	0	55	0.0	-77.91	422.74	2.83	-75.08
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[NH+](C)CC1	REAL300025243850	0	54	0.0	-72.91	425.07	2.78	-70.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCCC1C	REAL300025243930	0	54	0.0	-65.02	430.40	3.06	-61.96
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCCC1C	REAL300025243930	1	54	0.0	-64.62	424.13	2.76	-61.86
CC(C)[N@@H+]1CCCC1C(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025243955	0	57	0.0	-63.50	439.68	3.22	-60.28
CC(C)[N@H+]1CCCC1C(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025243955	1	57	0.0	-64.10	444.84	3.27	-60.83
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCC(C)C1	REAL300025243969	0	54	0.0	-67.02	431.31	3.13	-63.89
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCC(C)C1	REAL300025243969	1	54	0.0	-66.94	430.66	3.13	-63.81
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025243970	0	57	0.0	-66.77	450.44	3.63	-63.14
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300025243970	1	57	0.0	-66.73	450.41	3.64	-63.09
CC[C@@H](C(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025243976	0	53	0.0	-66.18	412.10	2.24	-63.94
CC1=[NH+]C=CN1CC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025244046	1	49	0.0	-63.79	414.88	2.98	-60.81
CC1=C[NH+]=CN1CC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025244094	1	49	0.0	-69.07	414.16	3.68	-65.39
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025244097	0	54	0.0	-66.79	416.99	2.28	-64.51
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025244097	1	54	0.0	-69.22	422.52	2.49	-66.73
CC[C@@H]1[C@@H](C(=O)N(C)C(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025244099	0	57	0.0	-71.95	440.76	2.95	-69.00
CC[C@@H]1[C@@H](C(=O)N(C)C(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025244099	1	57	0.0	-71.76	443.76	3.26	-68.50
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1C(C)CCC1C	REAL300025244103	0	57	0.0	-64.02	439.59	3.17	-60.85
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC[NH+]1CCCC1	REAL300025244105	0	57	0.0	-69.87	455.28	3.96	-65.91
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[NH+]1CCCCC1	REAL300025244108	0	57	0.0	-69.63	449.00	3.81	-65.82
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+](C)C1CCC1	REAL300025244172	0	54	0.0	-66.19	431.57	3.35	-62.84
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+](C)C1CCC1	REAL300025244172	1	54	0.0	-65.10	431.67	3.35	-61.75
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[NH+](C)CC1	REAL300025244190	0	54	0.0	-72.91	425.07	2.78	-70.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CCC[N@@H+]1C	REAL300025244207	0	51	0.0	-66.31	406.15	2.17	-64.14
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CCC[N@H+]1C	REAL300025244207	1	51	0.0	-68.87	404.45	1.93	-66.94
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC1CCC[N@@H+]1C	REAL300025244225	0	57	0.0	-69.57	447.40	3.45	-66.12
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC1CCC[N@H+]1C	REAL300025244225	1	57	0.0	-70.87	452.84	3.91	-66.96
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@H+](C)C1C	REAL300025244309	0	54	0.0	-73.37	427.73	2.71	-70.66
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@@H+](C)C1C	REAL300025244309	1	54	0.0	-72.36	422.05	2.64	-69.72
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025244345	0	57	0.0	-65.90	427.32	2.29	-63.61
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300025244345	1	57	0.0	-66.82	424.85	2.50	-64.32
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL300025244357	0	50	0.0	-65.06	401.99	1.77	-63.29
C=CCC(C)(C(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025244369	0	57	0.0	-73.92	431.81	3.49	-70.43
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[NH+]1CCCC1	REAL300025244381	0	54	0.0	-69.42	433.78	3.14	-66.28
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+](C)CCO	REAL300025244387	1	51	0.0	-69.25	413.53	-1.19	-70.44
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+](C)CCO	REAL300025244387	1	51	0.0	-67.64	413.32	-1.20	-68.84
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1=CC[N@H+](C)CC1	REAL300025244428	0	55	0.0	-68.60	444.59	3.75	-64.85
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1=CC[N@@H+](C)CC1	REAL300025244428	1	55	0.0	-66.75	444.57	3.74	-63.01
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CC(C)C1	REAL300025244465	1	51	0.0	-67.86	416.72	2.46	-65.40
CC[N@@H+]1CCCC(C(=O)N(C)C(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025244468	0	57	0.0	-67.06	443.63	3.40	-63.66
CC[N@H+]1CCCC(C(=O)N(C)C(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025244468	1	57	0.0	-70.39	439.13	3.24	-67.15
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@@H+]1C1CC1	REAL300025244478	0	55	0.0	-62.72	422.91	2.91	-59.81
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@H+]1C1CC1	REAL300025244478	1	55	0.0	-62.97	423.67	2.85	-60.12
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=CC[NH+]1CCCC1	REAL300025244494	0	55	0.0	-73.66	445.19	3.68	-69.98
CC[N@H+](C)CC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025244521	0	50	0.0	-67.51	403.18	2.05	-65.46
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1CC2C=CC1C2	REAL300025244545	0	53	0.0	-63.60	424.59	3.26	-60.34
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025244545	1	53	0.0	-66.15	424.59	3.33	-62.82
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CC2C=CC1C2	REAL300025244545	1	53	0.0	-66.15	424.59	3.33	-62.82
COCCN(C)CC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025244608	0	54	0.0	-67.17	435.57	1.20	-65.97
COCC[N@H+](C)CC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025244608	1	54	0.0	-69.37	435.78	1.21	-68.16
COCC[N@@H+](C)CC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025244608	1	54	0.0	-69.37	435.78	1.21	-68.16
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CCC(C)[NH+](C)C	REAL300025244611	0	56	0.0	-69.02	442.73	3.16	-65.86
CC[N@H+](CC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025244622	0	54	0.0	-65.79	426.85	3.29	-62.50
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CC2CCC1C2	REAL300025244650	0	55	0.0	-65.47	432.01	3.49	-61.98
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CC2CCC1C2	REAL300025244650	1	55	0.0	-65.47	432.01	3.49	-61.98
CC(C[NH+](C)C)C(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025244662	0	53	0.0	-69.93	418.94	2.38	-67.55
CC[N@@H+]1CCC1C(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025244684	0	51	0.0	-64.79	408.67	2.01	-62.78
CCCC(C(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025244715	0	56	0.0	-63.72	434.69	3.05	-60.67
CC(CC[NH+](C)C)C(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025244730	0	56	0.0	-70.39	440.58	3.00	-67.39
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025244773	0	57	0.0	-62.76	448.65	3.37	-59.39
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300025244773	1	57	0.0	-62.76	448.65	3.37	-59.39
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1CCN(C)CC1	REAL300025244780	0	56	0.0	-71.70	444.59	0.89	-70.81
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1CC[NH+](C)CC1	REAL300025244780	1	56	0.0	-71.70	444.59	0.89	-70.81
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CC2CC2C1	REAL300025244837	0	52	0.0	-67.58	420.79	3.24	-64.34
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC[N@@H+]1C	REAL300025244848	0	54	0.0	-65.33	417.00	2.54	-62.79
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCCC[N@H+]1C	REAL300025244848	1	54	0.0	-65.33	417.00	2.54	-62.79
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=C1CC[N@H+](C)C1	REAL300025244891	0	52	0.0	-72.34	423.51	2.94	-69.40
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=C1CC[N@@H+](C)C1	REAL300025244891	1	52	0.0	-72.34	423.51	2.94	-69.40
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CNC1=CC=[NH+]C=C1	REAL300025244893	0	50	0.0	-70.23	421.17	0.65	-69.58
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025244943	0	51	0.0	-66.28	408.16	2.25	-64.03
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@@H]1CCC[N@H+]1C	REAL300025244943	1	51	0.0	-66.28	408.16	2.25	-64.03
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025245008	0	54	0.0	-72.49	434.61	3.12	-69.37
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CC=CC[N@@H+]1C	REAL300025245015	0	55	0.0	-64.26	431.62	3.42	-60.84
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CC=CC[N@H+]1C	REAL300025245015	1	55	0.0	-64.26	431.62	3.42	-60.84
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)COCC[NH+](C)C	REAL300025245041	0	54	0.0	-71.15	441.32	2.49	-68.66
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1C=CSC1=[NH2+]	REAL300025245057	0	47	0.0	-62.36	412.52	1.56	-60.80
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCCCC1	REAL300025245099	0	54	0.0	-67.21	427.28	3.26	-63.95
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@H+](C)C1	REAL300025245100	0	54	0.0	-66.88	424.94	2.65	-64.23
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1CCC[N@@H+](C)C1	REAL300025245100	1	54	0.0	-70.69	425.05	2.75	-67.94
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCCCCC1	REAL300025245101	0	57	0.0	-66.17	436.53	3.43	-62.74
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N+]1=CN(C)C=C1	REAL300025245103	0	49	0.0	-66.61	416.68	4.89	-61.72
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+](C)C1CC1	REAL300025245119	1	51	0.0	-65.06	414.71	2.79	-62.27
CC(CC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025245132	0	56	0.0	-71.83	442.64	3.43	-68.40
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1C[NH+](C)C1	REAL300025245210	0	51	0.0	-68.32	416.90	2.23	-66.09
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+](C)C	REAL300025245219	0	47	0.0	-68.13	385.45	1.38	-66.75
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[N@H+](C)CCO	REAL300025245232	0	54	0.0	-69.37	435.90	-0.59	-69.96
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC[N@@H+](C)CCO	REAL300025245232	1	54	0.0	-70.04	435.88	-0.61	-70.65
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL300025245233	0	50	0.0	-65.06	401.99	1.77	-63.29
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CCCC[N@@H+]1C	REAL300025245242	0	57	0.0	-58.71	437.19	3.48	-55.23
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1CCCC[N@H+]1C	REAL300025245242	1	57	0.0	-70.77	444.37	3.60	-67.17
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)[NH+]1CC(C)C1	REAL300025245251	0	54	0.0	-66.09	429.75	2.77	-63.32
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@@H+]1CCC1C	REAL300025245253	0	51	0.0	-65.78	411.17	2.17	-63.61
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N@H+]1CCC1C	REAL300025245253	1	51	0.0	-67.45	416.77	2.46	-64.99
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C=CC[NH+](C)C	REAL300025245257	0	51	0.0	-74.68	420.59	2.62	-72.06
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CC(C)(C)C1	REAL300025245261	1	54	0.0	-67.84	435.86	2.95	-64.89
CC[NH+](CC)CC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025245292	0	53	0.0	-66.71	421.27	2.74	-63.97
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[NH+]1CCC1	REAL300025245301	1	48	0.0	-68.38	395.55	1.80	-66.58
CC[NH+](CC)CCC(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025245322	0	56	0.0	-70.18	439.05	3.06	-67.12
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(C)[NH+]1CCC1	REAL300025245360	0	51	0.0	-63.03	410.23	2.11	-60.92
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025245387	0	54	0.0	-62.61	425.82	2.96	-59.65
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)[C@H]1CCCC[N@H+]1C	REAL300025245387	1	54	0.0	-70.08	418.29	2.65	-67.43
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC(O)C[NH+](C)C	REAL300025245401	0	54	0.0	-74.47	438.15	0.42	-74.05
C=CCC(C(=O)N(C)C(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025245420	0	54	0.0	-62.47	426.63	2.76	-59.71
CC(CCNC(=O)CSC(N)=[NH2+])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025245445	0	45	0.0	-77.35	393.98	-1.68	-79.03
CC(CCNC(=O)C1(CC[NH+](C)C)CC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025245465	0	57	0.0	-81.07	459.87	3.96	-77.11
CC(CCNC(=O)CC1CC=CC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025245466	0	55	0.0	-78.92	436.70	3.51	-75.41
CC(CCNC(=O)CC1CC=CC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025245466	1	55	0.0	-79.01	436.67	3.50	-75.51
CCC1CN(CC(=O)NCCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025245544	0	54	0.0	-74.01	438.11	3.31	-70.70
CCC1C[NH+](CC(=O)NCCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025245544	1	54	0.0	-74.01	438.11	3.31	-70.70
CC(CCNC(=O)[C@@H]1CCC[N@@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025245549	0	51	0.0	-70.15	411.74	2.53	-67.62
CC(CCNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025245549	1	51	0.0	-70.15	411.74	2.53	-67.62
CC(CCNC(=O)C1CC[N@H+](C)C1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025245566	0	54	0.0	-73.54	426.66	2.66	-70.88
CC(CCNC(=O)C1CC[N@@H+](C)C1C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025245566	1	54	0.0	-73.54	426.66	2.66	-70.88
[N-]=[N+]=NCC(=O)N1CC2CCCC(C1)N(C(=O)CSC1=NC(=O)NN1)C2	REAL300025245750	0	46	0.0	-22.10	366.15	0.16	-21.94
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC1CN(C(=O)CN1CCC1)C2	REAL300025245768	0	53	0.0	-70.79	399.44	5.05	-65.74
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC1CN(C(=O)C[NH+]1CCC1)C2	REAL300025245768	1	53	0.0	-70.79	399.44	5.05	-65.74
CC[N@H+](C)CC(=O)N1CC2CCCC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025245785	0	55	0.0	-75.49	406.48	5.28	-70.21
CC[N@H+](C)CC(=O)N1CC2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025245941	0	55	0.0	-74.58	406.87	5.24	-69.34
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N(C(=O)CN1CCC1)C2	REAL300025246006	0	53	0.0	-74.83	399.28	4.96	-69.87
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N(C(=O)C[NH+]1CCC1)C2	REAL300025246006	1	53	0.0	-74.83	399.28	4.96	-69.87
CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246048	0	54	0.0	-75.81	426.38	3.50	-72.31
CCC(=O)NCCCC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246048	1	54	0.0	-75.81	426.38	3.50	-72.31
CC(=O)NCCCC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246049	0	51	0.0	-76.07	406.07	2.69	-73.38
CC(=O)NCCCC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246049	1	51	0.0	-76.07	406.07	2.69	-73.38
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@H+](CCCCNC(=O)C2CC2)CC1	REAL300025246050	0	55	0.0	-76.03	436.70	4.24	-71.79
O=C(CSC1=NNC(=O)[N-]1)N1CCC[N@@H+](CCCCNC(=O)C2CC2)CC1	REAL300025246050	1	55	0.0	-76.03	436.70	4.24	-71.79
CCCC(=O)NCCCC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246051	0	57	0.0	-76.05	447.64	4.25	-71.80
CCCC(=O)NCCCC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246051	1	57	0.0	-76.05	447.64	4.25	-71.80
CC(C)C(=O)NCCCC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246052	0	57	0.0	-75.60	445.93	4.17	-71.43
CC(C)C(=O)NCCCC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246052	1	57	0.0	-75.60	445.93	4.17	-71.43
NC(=O)C(=O)NCCCC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246053	0	52	0.0	-75.62	421.72	-1.18	-76.80
NC(=O)C(=O)NCCCC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246053	1	52	0.0	-75.62	421.72	-1.18	-76.80
C=CCC(=O)NCCCC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246054	0	55	0.0	-76.20	439.29	4.04	-72.16
C=CCC(=O)NCCCC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246054	1	55	0.0	-76.20	439.29	4.04	-72.16
O=C(CO)NCCCC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246055	0	52	0.0	-80.62	416.84	0.58	-80.04
O=C(CO)NCCCC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246055	1	52	0.0	-80.62	416.84	0.58	-80.04
CCCC(=O)N1CCC[N@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246056	0	57	0.0	-78.05	447.65	4.21	-73.84
CCCC(=O)N1CCC[N@@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246056	1	57	0.0	-78.05	447.65	4.21	-73.84
CC(C)C(=O)N1CCC[N@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246057	0	57	0.0	-78.42	441.02	3.79	-74.63
CC(C)C(=O)N1CCC[N@@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246057	1	57	0.0	-78.42	441.02	3.79	-74.63
CCC(=O)N1CCC[N@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246058	0	54	0.0	-77.97	426.14	3.43	-74.54
CCC(=O)N1CCC[N@@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246058	1	54	0.0	-77.97	426.14	3.43	-74.54
CC(=O)N1CCC[N@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246059	0	51	0.0	-80.84	404.31	2.60	-78.24
CC(=O)N1CCC[N@@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246059	1	51	0.0	-80.84	404.31	2.60	-78.24
O=C(CSC1=NNC(=O)[N-]1)NCCCC[N@@H+]1CCCN(C(=O)C2CC2)CC1	REAL300025246060	0	55	0.0	-81.32	435.89	4.16	-77.16
O=C(CSC1=NNC(=O)[N-]1)NCCCC[N@H+]1CCCN(C(=O)C2CC2)CC1	REAL300025246060	1	55	0.0	-81.32	435.89	4.16	-77.16
NC(=O)C(=O)N1CCC[N@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246061	0	52	0.0	-75.15	417.74	-1.31	-76.46
O=C(CSC1=NNC(=O)[N-]1)NCCCC[N@H+]1CCCN(C(=O)CO)CC1	REAL300025246062	0	52	0.0	-81.33	416.84	0.56	-80.77
O=C(CSC1=NNC(=O)[N-]1)NCCCC[N@@H+]1CCCN(C(=O)CO)CC1	REAL300025246062	1	52	0.0	-81.33	416.84	0.56	-80.77
CC(=O)C(=O)N1CCC[N@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246063	0	53	0.0	-75.23	424.11	2.49	-72.74
CC(=O)C(=O)N1CCC[N@@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246063	1	53	0.0	-75.23	424.11	2.49	-72.74
CC=CC(=O)N1CCC[N@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246064	0	55	0.0	-80.25	438.87	4.02	-76.23
CC=CC(=O)N1CCC[N@@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246064	1	55	0.0	-80.25	438.87	4.02	-76.23
C=CCC(=O)N1CCC[N@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246065	0	55	0.0	-78.73	439.07	3.98	-74.75
C=CCC(=O)N1CCC[N@@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246065	1	55	0.0	-78.73	439.07	3.98	-74.75
N#CCC(=O)N1CCC[N@@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246066	0	52	0.0	-90.35	425.60	3.12	-87.23
N#CCC(=O)N1CCC[N@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246066	1	52	0.0	-90.35	425.60	3.12	-87.23
C=CC(=O)N1CCC[N@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246067	0	52	0.0	-81.06	417.26	3.14	-77.92
C=CC(=O)N1CCC[N@@H+](CCCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246067	1	52	0.0	-81.06	417.26	3.14	-77.92
CC=CC(=O)NCCCC[N@@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246068	0	55	0.0	-75.75	439.95	4.11	-71.64
CC=CC(=O)NCCCC[N@H+]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025246068	1	55	0.0	-75.75	439.95	4.11	-71.64
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246217	0	50	0.0	-61.84	390.75	-0.22	-62.06
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246217	1	50	0.0	-65.94	388.06	-0.42	-66.36
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246368	1	48	0.0	-66.54	397.62	0.64	-65.90
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC[N@@H+]1C	REAL300025246386	0	53	0.0	-70.40	405.10	0.08	-70.32
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC[N@H+]1C	REAL300025246386	1	53	0.0	-66.97	411.28	0.31	-66.66
C[NH+](C)C1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CCC1	REAL300025246403	0	53	0.0	-77.12	399.73	-0.09	-77.21
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)C1CCC1	REAL300025246413	0	53	0.0	-68.66	415.46	1.04	-67.62
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)C1CCC1	REAL300025246413	1	53	0.0	-66.15	415.32	1.02	-65.13
C[NH+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC1	REAL300025246434	0	53	0.0	-66.48	410.56	0.57	-65.91
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246440	0	53	0.0	-60.23	405.35	0.47	-59.76
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246440	1	53	0.0	-56.68	409.96	0.61	-56.07
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246457	1	48	0.0	-64.64	397.94	1.37	-63.27
C[N@@H+]1CCC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025246466	0	53	0.0	-67.11	415.65	0.70	-66.41
C[N@H+]1CCC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025246466	1	53	0.0	-65.37	415.92	0.70	-64.67
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+](C)C	REAL300025246469	0	52	0.0	-64.28	394.05	-0.06	-64.34
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246485	0	52	0.0	-69.32	408.43	0.47	-68.85
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246485	1	52	0.0	-68.72	408.43	0.46	-68.26
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246499	0	50	0.0	-71.82	386.57	-0.48	-72.30
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246499	1	50	0.0	-59.60	392.01	-0.11	-59.71
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246511	0	52	0.0	-61.31	400.85	0.10	-61.21
C[NH+](C)CC1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC1	REAL300025246563	0	53	0.0	-72.21	416.16	0.55	-71.66
C[NH+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC1	REAL300025246584	0	53	0.0	-66.48	410.56	0.57	-65.91
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246621	0	52	0.0	-63.96	409.42	0.31	-63.65
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246621	1	52	0.0	-63.28	409.43	0.33	-62.95
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246629	0	53	0.0	-59.93	414.28	0.72	-59.21
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246629	1	53	0.0	-59.91	415.37	0.71	-59.20
CC1CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025246630	0	53	0.0	-67.19	415.52	0.73	-66.46
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025246630	1	53	0.0	-69.12	415.22	0.78	-68.34
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+](C)C	REAL300025246632	0	52	0.0	-63.46	397.07	0.04	-63.42
C[NH+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246663	0	46	0.0	-63.44	369.26	-0.97	-64.41
CN1C=C[N+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)=C1	REAL300025246664	0	48	0.0	-64.33	400.46	2.58	-61.75
C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025246667	0	53	0.0	-62.72	413.96	0.60	-62.12
C[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025246667	1	53	0.0	-65.27	405.70	0.29	-64.98
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+]1CCC1	REAL300025246674	1	50	0.0	-58.53	396.33	-0.08	-58.61
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)C1CC1	REAL300025246682	0	50	0.0	-59.96	398.53	0.43	-59.53
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)C1CC1	REAL300025246682	1	50	0.0	-61.32	398.72	0.46	-60.86
C[NH+]1CC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025246692	0	50	0.0	-71.28	400.57	-0.08	-71.36
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+](C)C	REAL300025246703	0	49	0.0	-64.11	382.86	-0.68	-64.79
[N-]=[N+]=NCC(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)CC(O)C1	REAL300025246710	0	40	0.0	-27.85	346.25	-5.35	-33.20
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+](C)C	REAL300025246741	0	49	0.0	-64.11	382.86	-0.68	-64.79
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246744	0	53	0.0	-58.97	397.93	0.10	-58.87
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246744	1	53	0.0	-58.20	410.98	0.70	-57.50
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC2)CC(O)C1	REAL300025246769	1	47	0.0	-63.38	379.53	-0.50	-63.88
C[N@@H+]1CCC(=CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025246776	0	51	0.0	-78.13	406.29	0.65	-77.48
C[N@H+]1CCC(=CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025246776	1	51	0.0	-76.08	405.47	0.63	-75.45
C[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+](C)C	REAL300025246793	0	49	0.0	-59.14	384.40	-0.61	-59.75
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025246807	1	50	0.0	-62.95	400.53	0.12	-62.83
C[N@H+](CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246820	1	50	0.0	-67.86	397.28	-3.51	-71.37
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246820	1	50	0.0	-61.91	397.10	-3.52	-65.43
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246832	0	49	0.0	-68.80	386.93	-0.27	-69.07
CC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246832	1	49	0.0	-68.39	386.93	-0.28	-68.67
CC[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)C1CC1	REAL300025246842	0	53	0.0	-59.11	417.93	1.07	-58.04
CC[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)C1CC1	REAL300025246842	1	53	0.0	-59.63	415.30	1.04	-58.59
C[NH+](C)CC=CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246861	0	50	0.0	-78.17	405.55	0.30	-77.87
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246878	1	50	0.0	-63.07	390.21	-0.41	-63.48
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246878	1	50	0.0	-68.41	391.06	-0.31	-68.72
C=CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+](C)C	REAL300025246897	0	53	0.0	-61.92	406.96	0.32	-61.60
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CC3CC3C2)CC(O)C1	REAL300025246904	0	51	0.0	-62.10	404.68	0.93	-61.17
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246909	0	52	0.0	-70.06	385.75	-0.24	-70.30
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246919	0	53	0.0	-60.23	405.35	0.47	-59.76
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246919	1	53	0.0	-56.68	409.96	0.61	-56.07
C[NH+](C)C1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC1	REAL300025246951	0	50	0.0	-68.93	383.75	-0.92	-69.85
O=C(CC[NH+]1CCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246952	0	53	0.0	-71.89	415.96	0.74	-71.15
C[N@@H+]1CC2CC1(C(=O)N1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C1)C2	REAL300025246962	0	51	0.0	-68.96	384.98	0.37	-68.59
C[N@H+]1CC2CC1(C(=O)N1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C1)C2	REAL300025246962	1	51	0.0	-68.50	392.63	0.14	-68.36
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025246996	0	52	0.0	-62.29	402.96	0.02	-62.27
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+]1CC(C)C1	REAL300025247015	1	53	0.0	-60.60	408.88	0.37	-60.23
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247016	1	50	0.0	-60.40	400.52	0.10	-60.30
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247016	1	50	0.0	-62.75	400.50	0.09	-62.66
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025247044	0	53	0.0	-73.40	417.33	0.76	-72.64
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247204	0	50	0.0	-61.84	390.75	-0.22	-62.06
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247204	1	50	0.0	-65.94	388.06	-0.42	-66.36
C[N@@H+]1CCC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025247371	0	53	0.0	-67.11	415.65	0.70	-66.41
C[N@H+]1CCC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025247371	1	53	0.0	-65.37	415.92	0.70	-64.67
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+](C)C	REAL300025247374	0	52	0.0	-64.28	394.05	-0.06	-64.34
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247386	0	52	0.0	-69.32	408.43	0.47	-68.85
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247386	1	52	0.0	-68.72	408.43	0.46	-68.26
C[NH+](C)CC1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC1	REAL300025247422	0	53	0.0	-72.21	416.16	0.55	-71.66
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247427	0	52	0.0	-63.96	409.42	0.31	-63.65
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247427	1	52	0.0	-63.28	409.43	0.33	-62.95
C[NH+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC1	REAL300025247449	0	53	0.0	-66.48	410.56	0.57	-65.91
C[NH+](C)C1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CCC1	REAL300025247481	0	53	0.0	-77.12	399.73	-0.09	-77.21
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247503	0	53	0.0	-59.93	414.28	0.72	-59.21
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247503	1	53	0.0	-59.91	415.37	0.71	-59.20
CC1CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025247520	0	53	0.0	-67.19	415.52	0.73	-66.46
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025247520	1	53	0.0	-69.12	415.22	0.78	-68.34
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+](C)C	REAL300025247522	0	52	0.0	-63.46	397.07	0.04	-63.42
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247557	1	48	0.0	-66.54	397.62	0.64	-65.90
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247575	1	48	0.0	-64.64	397.94	1.37	-63.27
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC[N@@H+]1C	REAL300025247576	0	53	0.0	-70.40	405.10	0.08	-70.32
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC[N@H+]1C	REAL300025247576	1	53	0.0	-66.97	411.28	0.31	-66.66
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)C1CCC1	REAL300025247603	0	53	0.0	-68.66	415.46	1.04	-67.62
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)C1CCC1	REAL300025247603	1	53	0.0	-66.15	415.32	1.02	-65.13
C[NH+]1CCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC1	REAL300025247608	0	53	0.0	-66.48	410.56	0.57	-65.91
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247620	0	50	0.0	-71.82	386.57	-0.48	-72.30
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247620	1	50	0.0	-59.60	392.01	-0.11	-59.71
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247660	0	53	0.0	-60.23	405.35	0.47	-59.76
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247660	1	53	0.0	-56.68	409.96	0.61	-56.07
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC[N@@H+]1C	REAL300025247688	0	53	0.0	-71.92	409.81	0.37	-71.55
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC[N@H+]1C	REAL300025247688	1	53	0.0	-63.42	416.52	0.56	-62.86
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+](C)C	REAL300025247725	0	49	0.0	-64.11	382.86	-0.68	-64.79
O=C(CC[NH+]1CCCC1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247742	0	53	0.0	-71.89	415.96	0.74	-71.15
C[N@H+](CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247747	1	50	0.0	-67.86	397.28	-3.51	-71.37
C[N@@H+](CCO)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247747	1	50	0.0	-61.91	397.10	-3.52	-65.43
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025247785	1	50	0.0	-62.95	400.53	0.12	-62.83
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247814	0	49	0.0	-68.80	386.93	-0.27	-69.07
CC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247814	1	49	0.0	-68.39	386.93	-0.28	-68.67
CC[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)C1CC1	REAL300025247867	0	53	0.0	-59.11	417.93	1.07	-58.04
CC[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)C1CC1	REAL300025247867	1	53	0.0	-59.63	415.30	1.04	-58.59
C[N@@H+]1CC2CC1(C(=O)N1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C1)C2	REAL300025247879	0	51	0.0	-68.96	384.98	0.37	-68.59
C[N@H+]1CC2CC1(C(=O)N1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C1)C2	REAL300025247879	1	51	0.0	-68.50	392.63	0.14	-68.36
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247888	0	52	0.0	-62.29	402.96	0.02	-62.27
C[NH+](C)C1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC1	REAL300025247894	0	50	0.0	-68.93	383.75	-0.92	-69.85
C[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+](C)C	REAL300025247903	0	49	0.0	-59.14	384.40	-0.61	-59.75
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247906	1	50	0.0	-63.07	390.21	-0.41	-63.48
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247906	1	50	0.0	-68.41	391.06	-0.31	-68.72
NC1=CC=[NH+]C=C1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247916	0	46	0.0	-72.67	381.97	-2.90	-75.57
C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247922	0	52	0.0	-70.06	385.75	-0.24	-70.30
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CC3CC3C2)CC(O)C1	REAL300025247983	0	51	0.0	-62.10	404.68	0.93	-61.17
C[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247989	0	53	0.0	-60.23	405.35	0.47	-59.76
C[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025247989	1	53	0.0	-56.68	409.96	0.61	-56.07
C[N@@H+]1CCC(=CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025248010	0	51	0.0	-78.13	406.29	0.65	-77.48
C[N@H+]1CCC(=CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025248010	1	51	0.0	-76.08	405.47	0.63	-75.45
[N-]=[N+]=NCC(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)CC(O)C1	REAL300025248017	0	40	0.0	-27.85	346.25	-5.35	-33.20
CCC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025248031	1	53	0.0	-63.63	421.89	0.89	-62.74
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025248036	0	50	0.0	-61.56	392.63	-0.08	-61.64
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025248036	1	50	0.0	-63.04	389.50	-0.34	-63.38
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025248069	0	53	0.0	-73.40	417.33	0.76	-72.64
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCCCC2)CC(O)C1	REAL300025248107	0	53	0.0	-61.67	410.95	0.90	-60.77
C[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025248108	0	53	0.0	-62.72	413.96	0.60	-62.12
C[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025248108	1	53	0.0	-65.27	405.70	0.29	-64.98
CN1C=C[N+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)=C1	REAL300025248109	0	48	0.0	-64.33	400.46	2.58	-61.75
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)C1CC1	REAL300025248119	0	50	0.0	-59.96	398.53	0.43	-59.53
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)C1CC1	REAL300025248119	1	50	0.0	-61.32	398.72	0.46	-60.86
C[NH+]1CC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025248168	0	50	0.0	-71.28	400.57	-0.08	-71.36
C[NH+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025248174	0	46	0.0	-63.44	369.26	-0.97	-64.41
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+](C)C	REAL300025248182	0	49	0.0	-64.11	382.86	-0.68	-64.79
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+]1CC(C)C1	REAL300025248196	1	53	0.0	-60.60	408.88	0.37	-60.23
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025248197	1	50	0.0	-60.40	400.52	0.10	-60.30
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025248197	1	50	0.0	-62.75	400.50	0.09	-62.66
C[NH+](C)CC=CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025248199	0	50	0.0	-78.17	405.55	0.30	-77.87
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025248215	0	52	0.0	-61.31	400.85	0.10	-61.21
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC2)CC(O)C1	REAL300025248220	1	47	0.0	-63.38	379.53	-0.50	-63.88
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+]1CCC1	REAL300025248259	1	50	0.0	-58.53	396.33	-0.08	-58.61
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025248280	0	53	0.0	-58.97	397.93	0.10	-58.87
C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025248280	1	53	0.0	-58.20	410.98	0.70	-57.50
C=CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1)[NH+](C)C	REAL300025248299	0	53	0.0	-61.92	406.96	0.32	-61.60
NC(=[NH2+])SCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025248320	0	44	0.0	-71.14	377.16	-3.91	-75.05
CCC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)C1	REAL300025248369	1	53	0.0	-63.63	421.89	0.89	-62.74
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025248373	0	50	0.0	-61.56	392.63	-0.08	-61.64
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300025248373	1	50	0.0	-63.04	389.50	-0.34	-63.38
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCCCC2)CC(O)C1	REAL300025248379	0	53	0.0	-61.67	410.95	0.90	-60.77
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC[N@@H+]1C	REAL300025248383	0	53	0.0	-71.92	409.81	0.37	-71.55
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)CC[N@H+]1C	REAL300025248383	1	53	0.0	-63.42	416.52	0.56	-62.86
C[NH+](C)CC(=O)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025248520	0	51	0.0	-73.84	411.54	0.75	-73.09
C[C@@H](C(=O)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025248525	0	54	0.0	-69.06	423.01	0.77	-68.29
[N-]=[N+]=NCC(=O)N1CC(N2CCN(C(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025248528	0	45	0.0	-24.75	388.50	-3.65	-28.40
C[C@@H](C(=O)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025248538	0	54	0.0	-69.06	423.01	0.77	-68.29
O=C(C[NH+]1CCC1)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025248546	1	52	0.0	-69.91	415.68	0.94	-68.97
C[C@H](C(=O)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025248551	0	54	0.0	-67.90	423.51	0.86	-67.04
CC[N@H+](C)CC(=O)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025248563	0	54	0.0	-69.37	423.29	1.04	-68.33
CC[N@@H+](C)CC(=O)N1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025248563	1	54	0.0	-69.39	423.29	1.04	-68.35
C[C@@H](C(=O)N1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025248700	0	54	0.0	-71.74	420.86	0.74	-71.00
CC[N@H+](C)CC(=O)N1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025248719	0	54	0.0	-72.95	422.88	1.06	-71.89
CC[N@@H+](C)CC(=O)N1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025248719	1	54	0.0	-73.41	423.28	0.95	-72.46
C[C@H](C(=O)N1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025248732	0	54	0.0	-71.01	420.49	0.71	-70.30
[N-]=[N+]=NCC(=O)N1CCN(C2CN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025248756	0	45	0.0	-24.88	388.80	-3.81	-28.69
C[NH+](C)CC(=O)N1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025248783	0	51	0.0	-75.05	411.82	0.58	-74.47
C[C@@H](C(=O)N1CCN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025248786	0	54	0.0	-71.74	420.86	0.74	-71.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(N2CCN(C(=O)C[NH+]3CCC3)CC2)C1	REAL300025248793	1	52	0.0	-73.49	415.48	0.81	-72.68
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025248989	0	49	0.0	-71.34	379.90	2.80	-68.54
C[C@H]1CN(C(=O)C2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025248989	1	49	0.0	-72.09	379.29	2.79	-69.30
C[C@H]1CN(C(=O)C2C[N@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249013	1	50	0.0	-80.87	390.25	2.21	-78.66
C[C@H]1CN(C(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249013	1	50	0.0	-81.43	390.94	2.25	-79.18
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249157	0	55	0.0	-69.51	398.77	3.73	-65.78
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249157	1	55	0.0	-67.13	411.45	3.86	-63.27
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249180	1	47	0.0	-68.73	386.87	3.58	-65.15
C[C@H]1CN(C(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249200	0	53	0.0	-77.67	393.24	3.43	-74.24
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)CC[N@@H+]1C	REAL300025249228	0	52	0.0	-75.99	396.98	3.23	-72.76
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)CC[N@H+]1C	REAL300025249228	1	52	0.0	-74.81	398.76	3.26	-71.55
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)CC[N@@H+]1C	REAL300025249230	0	55	0.0	-73.26	418.55	3.88	-69.38
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)CC[N@H+]1C	REAL300025249230	1	55	0.0	-71.55	418.65	4.26	-67.29
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)C1	REAL300025249235	1	53	0.0	-73.58	400.94	2.70	-70.88
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)C1	REAL300025249235	1	53	0.0	-72.48	401.12	2.68	-69.80
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249280	0	55	0.0	-68.06	414.89	3.85	-64.21
C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249282	0	55	0.0	-73.46	431.21	4.84	-68.62
C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249285	0	55	0.0	-74.46	425.38	4.74	-69.72
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249288	0	55	0.0	-69.55	408.53	3.95	-65.60
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249288	1	55	0.0	-70.12	411.54	4.19	-65.93
C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249298	0	52	0.0	-72.47	380.75	2.85	-69.62
CC(C)[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+](C)C	REAL300025249304	0	54	0.0	-70.40	395.31	3.68	-66.72
C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249322	0	52	0.0	-71.36	407.53	4.23	-67.13
C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249322	1	52	0.0	-70.48	403.54	3.95	-66.53
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249376	1	51	0.0	-69.19	406.63	4.01	-65.18
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249376	1	51	0.0	-69.95	413.29	4.41	-65.54
C[C@H]1CN(C(=O)CCC2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249381	0	55	0.0	-72.15	423.35	4.32	-67.83
C[C@H]1CN(C(=O)CCC2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249381	1	55	0.0	-75.35	428.85	4.81	-70.54
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249397	0	52	0.0	-75.68	398.94	3.46	-72.22
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249424	0	52	0.0	-69.54	400.67	3.78	-65.76
C[C@H]1CN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249424	1	52	0.0	-68.56	396.82	3.51	-65.05
C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249477	1	53	0.0	-77.10	412.80	2.03	-75.07
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249489	1	47	0.0	-72.09	391.15	4.60	-67.49
C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249505	0	53	0.0	-66.37	393.60	3.26	-63.11
C[C@H]1CN(C(=O)CC2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249510	0	52	0.0	-74.57	403.82	3.64	-70.93
C[C@H]1CN(C(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249510	1	52	0.0	-74.88	403.79	3.64	-71.24
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+](C)C	REAL300025249516	0	51	0.0	-70.53	387.51	3.06	-67.47
C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249563	0	54	0.0	-73.97	422.90	4.16	-69.81
CC(C)C(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+](C)C	REAL300025249574	0	54	0.0	-69.20	398.48	3.37	-65.83
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249575	0	54	0.0	-75.65	422.98	4.27	-71.38
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249575	1	54	0.0	-74.93	419.13	3.97	-70.96
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249578	0	51	0.0	-72.94	396.67	3.39	-69.55
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249578	1	51	0.0	-73.78	400.61	3.67	-70.11
C[C@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249591	0	53	0.0	-76.97	388.72	2.70	-74.27
C[C@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249591	1	53	0.0	-77.79	391.47	2.97	-74.82
C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249613	0	49	0.0	-68.97	378.92	2.77	-66.20
C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249613	1	49	0.0	-72.78	377.77	2.70	-70.08
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249640	0	51	0.0	-71.77	392.97	3.33	-68.44
CC1CC[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)CC1	REAL300025249693	0	55	0.0	-73.96	423.96	4.75	-69.21
C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249711	0	52	0.0	-69.71	405.52	3.59	-66.12
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249757	0	52	0.0	-75.68	398.94	3.46	-72.22
CC(C)[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+](C)C	REAL300025249772	0	54	0.0	-71.77	404.36	3.80	-67.97
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+](CC)CC	REAL300025249799	0	57	0.0	-69.33	418.54	4.35	-64.98
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249829	0	51	0.0	-74.94	401.48	3.54	-71.40
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249829	1	51	0.0	-74.18	397.62	3.23	-70.95
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249852	0	52	0.0	-69.42	403.51	3.64	-65.78
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025249852	1	52	0.0	-69.93	402.82	3.76	-66.17
CC1CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)C1	REAL300025249853	0	52	0.0	-73.12	406.72	4.02	-69.10
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)C1	REAL300025249853	1	52	0.0	-72.93	406.75	4.00	-68.93
C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249855	0	55	0.0	-72.19	423.01	4.23	-67.96
C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249855	1	55	0.0	-73.11	426.71	4.48	-68.63
C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249856	0	57	0.0	-72.53	427.39	4.52	-68.01
C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249856	1	57	0.0	-72.85	424.68	4.37	-68.48
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+](C)C	REAL300025249863	0	51	0.0	-70.75	387.38	2.98	-67.77
C[C@H]1CN(C(=O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249935	0	45	0.0	-74.25	361.47	2.26	-71.99
C[C@H]1CN(C(=O)C[NH+]2CCCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249938	0	55	0.0	-72.95	412.50	4.30	-68.65
C[C@H]1CN(C(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249941	0	47	0.0	-70.23	388.67	5.48	-64.75
C[C@H]1CN(C(=O)C2CCC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249945	0	52	0.0	-73.07	398.94	3.39	-69.68
C[C@H]1CN(C(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249945	1	52	0.0	-69.66	397.66	3.97	-65.69
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249950	0	53	0.0	-70.92	413.33	4.19	-66.73
C[C@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249950	1	53	0.0	-68.80	406.19	3.83	-64.97
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+]1CCC1	REAL300025249962	1	49	0.0	-70.43	384.56	2.80	-67.63
CCC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)C[NH+](C)C	REAL300025249966	0	57	0.0	-74.24	428.71	4.52	-69.72
C[C@H]1CN(C(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249971	0	54	0.0	-72.82	401.90	3.38	-69.44
C[C@H]1CN(C(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249982	1	53	0.0	-77.40	414.20	0.78	-76.62
C[C@H]1CN(C(=O)C[N@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249983	0	49	0.0	-70.57	390.64	3.66	-66.91
C[C@H]1CN(C(=O)C[N@@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249983	1	49	0.0	-69.68	386.70	3.38	-66.30
C[C@H]1CN(C(=O)CC2C[NH+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249997	0	49	0.0	-73.66	388.96	2.84	-70.82
C[C@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250007	0	55	0.0	-69.97	402.37	3.19	-66.78
C[C@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250007	1	55	0.0	-68.32	418.39	3.65	-64.67
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+](C)C	REAL300025250017	0	48	0.0	-71.08	378.06	2.68	-68.40
C[C@H]1CN(C(=O)CN=[N+]=[N-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300025250024	0	39	0.0	-23.61	334.41	-2.43	-26.04
C[C@H]1CN(C(=O)CN2C=CSC2=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250066	0	45	0.0	-68.52	384.49	2.15	-66.37
C[C@H]1CN(C(=O)CC[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250071	0	52	0.0	-73.80	407.98	0.02	-73.78
C[C@H]1CN(C(=O)CC[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250071	1	52	0.0	-74.24	411.84	0.26	-73.98
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+](C)C	REAL300025250072	0	48	0.0	-71.08	378.06	2.68	-68.40
C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250075	0	52	0.0	-69.57	400.74	3.77	-65.80
C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250075	1	52	0.0	-71.11	389.69	3.25	-67.86
C[C@H]1CN(C(=O)C[NH+]2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250120	1	46	0.0	-73.76	371.68	2.73	-71.03
C[C@H]1CN(C(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250134	0	50	0.0	-75.78	398.29	3.85	-71.93
C[C@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250134	1	50	0.0	-75.69	398.11	3.86	-71.83
C[C@H]1CN(C(=O)COCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250154	0	52	0.0	-72.32	417.24	3.39	-68.93
C=CCC(C)(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+](C)C	REAL300025250165	0	55	0.0	-65.79	403.98	3.50	-62.29
C[C@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250182	0	53	0.0	-70.20	401.61	-0.46	-70.66
CC1CN(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)C1	REAL300025250199	0	49	0.0	-72.98	388.77	3.07	-69.91
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)C1	REAL300025250199	1	49	0.0	-72.98	388.77	3.07	-69.91
C[C@H]1CN(C(=O)CN(C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250216	0	49	0.0	-74.08	389.46	-0.31	-74.39
C[C@H]1CN(C(=O)C[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250216	1	49	0.0	-72.86	385.36	-0.62	-73.48
C[C@H]1CN(C(=O)C[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250216	1	49	0.0	-72.86	385.36	-0.62	-73.48
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)C1	REAL300025250235	0	55	0.0	-72.15	423.36	4.48	-67.67
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)C1	REAL300025250235	1	55	0.0	-72.15	423.36	4.48	-67.67
CC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)C[NH+](C)C	REAL300025250237	0	54	0.0	-77.92	418.53	4.30	-73.62
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250240	0	48	0.0	-73.47	379.11	2.92	-70.55
CC[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)C1CC1	REAL300025250264	0	52	0.0	-70.61	407.77	4.24	-66.37
CC[NH+](CC)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250272	0	54	0.0	-74.18	414.88	3.92	-70.26
C[C@H]1CN(C(=O)CN2CC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250286	0	52	0.0	-73.87	411.78	3.84	-70.03
C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250286	1	52	0.0	-73.87	411.78	3.84	-70.03
C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250302	0	53	0.0	-73.07	413.90	0.40	-72.67
C[C@H]1CN(C(=O)C=CC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250305	0	49	0.0	-76.49	392.21	3.21	-73.28
COCCN(C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250318	0	52	0.0	-72.58	407.62	1.78	-70.80
COCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250318	1	52	0.0	-74.33	411.72	2.10	-72.23
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250318	1	52	0.0	-74.33	411.72	2.10	-72.23
C[C@H]1CN(C(=O)C2([NH+](C)C)CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250335	0	55	0.0	-67.44	395.15	3.40	-64.04
CC(CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+](C)C	REAL300025250337	0	54	0.0	-72.63	418.67	4.04	-68.59
CCN1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250343	0	49	0.0	-72.48	392.17	3.15	-69.33
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250343	1	49	0.0	-70.34	384.50	2.90	-67.44
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250343	1	49	0.0	-70.34	384.50	2.90	-67.44
C[C@H]1CN(C(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250353	0	53	0.0	-72.65	411.02	0.33	-72.32
C[C@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250369	0	55	0.0	-71.91	404.93	3.48	-68.43
C=CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+](C)C	REAL300025250385	0	52	0.0	-68.14	396.97	3.34	-64.80
C[C@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250392	0	55	0.0	-68.82	419.44	3.91	-64.91
C[C@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250392	1	55	0.0	-68.82	419.44	3.91	-64.91
C[C@H]1CN(C(=O)CCCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250394	0	57	0.0	-72.90	444.39	4.94	-67.96
CCCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1)[NH+](C)C	REAL300025250411	0	54	0.0	-72.20	412.59	4.06	-68.14
C[C@H]1CN(C(=O)C(C)(C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250414	0	51	0.0	-71.14	377.44	2.52	-68.62
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250437	0	52	0.0	-68.56	396.82	3.51	-65.05
C[C@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250456	0	53	0.0	-70.21	420.53	4.62	-65.59
C[C@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250456	1	53	0.0	-70.21	420.53	4.62	-65.59
C[C@H]1CN(C(=O)C=CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250486	0	53	0.0	-75.26	421.17	4.62	-70.64
C[C@H]1CN(C(=O)CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250513	0	52	0.0	-73.92	404.84	3.67	-70.25
C[C@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250538	0	50	0.0	-70.49	384.36	3.13	-67.36
C[C@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250543	0	53	0.0	-71.37	408.01	4.35	-67.02
C[C@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250543	1	53	0.0	-71.37	408.01	4.35	-67.02
C[C@H]1CN(C(=O)CN2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250578	0	51	0.0	-68.75	396.34	3.86	-64.89
C[C@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250578	1	51	0.0	-69.51	400.36	4.14	-65.37
C[C@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250578	1	51	0.0	-69.51	400.36	4.14	-65.37
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250608	0	51	0.0	-70.60	397.62	3.39	-67.21
C[C@H]1CN(C(=O)CC2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250647	0	55	0.0	-66.44	413.10	4.36	-62.08
C[C@H]1CN(C(=O)CC2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250647	1	55	0.0	-66.44	413.10	4.36	-62.08
CC1CCN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250658	0	49	0.0	-71.21	388.75	3.09	-68.12
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250658	1	49	0.0	-70.48	383.19	2.79	-67.69
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250658	1	49	0.0	-70.48	383.19	2.79	-67.69
C[C@H]1CN(C(=O)CC(O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250660	0	52	0.0	-77.79	413.97	1.33	-76.46
CC1CN(C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)O1	REAL300025250677	0	53	0.0	-80.73	403.84	2.92	-77.81
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)O1	REAL300025250677	1	53	0.0	-82.12	416.33	3.28	-78.84
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)O1	REAL300025250677	1	53	0.0	-82.12	416.33	3.28	-78.84
C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250715	0	52	0.0	-74.04	410.42	3.98	-70.06
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C)C1	REAL300025250719	0	54	0.0	-78.85	421.94	4.08	-74.77
C[C@H]1CN(C(=O)CN2CCN(C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250734	0	54	0.0	-72.90	420.66	1.77	-71.13
C[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250734	1	54	0.0	-72.90	420.66	1.77	-71.13
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300025250904	0	49	0.0	-68.97	386.49	3.12	-65.85
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C	REAL300025250904	1	49	0.0	-68.97	386.49	3.12	-65.85
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCN1CCOCC1	REAL300025251077	0	53	0.0	-77.50	416.67	2.31	-75.19
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300025251077	1	53	0.0	-77.50	416.67	2.31	-75.19
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300025251103	0	52	0.0	-73.23	404.36	3.61	-69.62
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300025251103	1	52	0.0	-73.23	404.36	3.61	-69.62
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025251109	0	51	0.0	-71.03	391.35	3.29	-67.74
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCC[NH+](C)C	REAL300025251139	0	54	0.0	-74.23	426.83	4.44	-69.79
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251151	0	54	0.0	-75.25	423.10	4.28	-70.97
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251151	1	54	0.0	-75.28	423.09	4.27	-71.01
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251153	0	51	0.0	-73.35	400.63	3.69	-69.66
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251153	1	51	0.0	-73.33	400.61	3.68	-69.65
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300025251163	0	53	0.0	-76.25	390.30	2.86	-73.39
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300025251163	1	53	0.0	-72.92	391.28	2.85	-70.07
CC1CC[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC1	REAL300025251186	0	55	0.0	-72.82	420.10	4.45	-68.37
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300025251214	0	52	0.0	-72.16	405.62	3.58	-68.58
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251228	0	51	0.0	-74.46	401.60	3.53	-70.93
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251228	1	51	0.0	-74.54	401.60	3.52	-71.02
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300025251239	0	53	0.0	-75.31	395.84	3.53	-71.78
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025251269	0	52	0.0	-75.14	398.94	3.43	-71.71
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](CC)CC	REAL300025251346	0	57	0.0	-65.32	419.15	4.17	-61.15
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251354	0	52	0.0	-69.42	400.07	3.63	-65.79
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251354	1	52	0.0	-70.16	406.30	3.93	-66.23
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251380	0	55	0.0	-67.15	412.34	3.84	-63.31
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251380	1	55	0.0	-68.77	410.88	4.41	-64.36
CC1CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025251394	0	52	0.0	-71.86	403.56	3.71	-68.15
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025251394	1	52	0.0	-72.16	403.55	3.72	-68.44
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025251396	0	55	0.0	-72.27	423.02	4.23	-68.04
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300025251396	1	55	0.0	-72.29	426.38	4.52	-67.77
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300025251397	0	57	0.0	-72.75	431.49	4.82	-67.93
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300025251397	1	57	0.0	-72.86	430.97	4.74	-68.12
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025251403	0	51	0.0	-70.59	387.55	3.03	-67.56
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251475	1	47	0.0	-68.52	386.87	3.59	-64.93
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025251513	1	53	0.0	-78.55	409.97	3.06	-75.49
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025251513	1	53	0.0	-79.32	412.01	3.15	-76.17
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251527	1	47	0.0	-71.52	387.20	4.32	-67.20
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC[N@@H+]1C	REAL300025251531	0	52	0.0	-75.67	396.95	3.22	-72.45
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC[N@H+]1C	REAL300025251531	1	52	0.0	-74.47	399.27	3.31	-71.16
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC[N@@H+]1C	REAL300025251533	0	55	0.0	-73.06	413.58	3.58	-69.48
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC[N@H+]1C	REAL300025251533	1	55	0.0	-72.79	420.68	4.12	-68.67
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251537	0	55	0.0	-68.01	414.37	3.86	-64.15
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300025251539	0	55	0.0	-72.99	430.27	4.77	-68.22
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300025251542	0	55	0.0	-74.00	425.39	4.74	-69.26
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300025251608	0	52	0.0	-71.18	407.61	4.25	-66.93
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300025251608	1	52	0.0	-70.30	403.71	3.97	-66.33
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025251630	0	52	0.0	-75.14	398.94	3.43	-71.71
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300025251647	0	49	0.0	-69.34	382.89	3.03	-66.31
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300025251647	1	49	0.0	-72.04	380.37	2.79	-69.25
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1CCC[N@@H+]1C	REAL300025251665	0	55	0.0	-75.67	424.96	4.66	-71.01
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1CCC[N@H+]1C	REAL300025251665	1	55	0.0	-74.92	425.19	4.64	-70.28
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC[N@@H+]1C	REAL300025251755	0	52	0.0	-73.66	398.51	3.77	-69.89
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC[N@H+]1C	REAL300025251755	1	52	0.0	-71.06	403.66	3.59	-67.47
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025251794	0	55	0.0	-68.80	396.73	3.04	-65.76
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300025251794	1	55	0.0	-69.21	398.47	2.89	-66.32
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025251807	0	48	0.0	-70.19	376.88	2.59	-67.60
C=CCC(C)(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025251819	0	55	0.0	-65.21	406.66	3.75	-61.46
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCC1	REAL300025251831	0	52	0.0	-74.08	408.72	3.96	-70.12
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CCO	REAL300025251839	1	49	0.0	-73.64	389.46	-0.31	-73.95
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CCO	REAL300025251839	1	49	0.0	-73.37	389.27	-0.28	-73.65
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300025251880	0	53	0.0	-71.31	420.51	4.62	-66.69
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300025251880	1	53	0.0	-69.85	420.52	4.62	-65.23
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025251919	1	49	0.0	-73.13	392.66	3.36	-69.77
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025251923	0	55	0.0	-72.13	422.16	4.39	-67.74
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025251923	1	55	0.0	-72.16	421.64	4.37	-67.79
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300025251933	0	53	0.0	-66.77	410.54	4.29	-62.48
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300025251933	1	53	0.0	-68.40	406.12	3.82	-64.58
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300025251950	0	53	0.0	-74.58	417.15	4.32	-70.26
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025251978	0	48	0.0	-72.94	379.13	2.94	-70.00
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC2C=CC1C2	REAL300025252004	0	51	0.0	-68.95	396.22	3.83	-65.12
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025252004	1	51	0.0	-69.03	396.66	3.86	-65.17
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300025252004	1	51	0.0	-69.03	396.66	3.86	-65.17
COCCN(C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252069	0	52	0.0	-73.24	411.51	2.11	-71.13
COCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252069	1	52	0.0	-73.83	411.73	2.11	-71.72
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252069	1	52	0.0	-73.83	411.73	2.11	-71.72
CC(CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025252072	0	54	0.0	-71.66	414.71	3.78	-67.88
CC[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)C1CC1	REAL300025252084	0	52	0.0	-70.11	407.68	4.28	-65.83
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300025252112	0	53	0.0	-70.86	407.91	4.33	-66.53
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300025252112	1	53	0.0	-70.86	407.91	4.33	-66.53
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252124	0	51	0.0	-72.78	393.00	3.04	-69.74
CCN1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252147	0	49	0.0	-71.44	387.90	2.84	-68.60
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252147	1	49	0.0	-71.73	392.42	3.23	-68.50
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252147	1	49	0.0	-71.73	392.42	3.23	-68.50
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252152	0	57	0.0	-70.17	426.30	2.84	-67.33
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[NH+]=CC=C1N	REAL300025252173	0	45	0.0	-71.24	372.40	0.17	-71.07
CCCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025252180	0	54	0.0	-71.25	408.18	3.75	-67.50
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252195	0	54	0.0	-73.04	414.12	3.64	-69.40
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025252239	0	55	0.0	-70.08	420.43	3.86	-66.22
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300025252239	1	55	0.0	-70.82	420.06	3.93	-66.89
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCCC[NH+](C)C	REAL300025252241	0	57	0.0	-73.12	448.33	5.23	-67.89
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC[NH+](C)CC1	REAL300025252248	1	54	0.0	-72.09	420.40	1.76	-70.33
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)O1	REAL300025252284	1	53	0.0	-81.52	410.82	2.78	-78.74
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)O1	REAL300025252284	1	53	0.0	-81.91	403.56	2.36	-79.55
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300025252310	0	50	0.0	-73.06	397.11	4.15	-68.91
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300025252323	0	52	0.0	-67.89	398.04	3.56	-64.33
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300025252323	1	52	0.0	-71.47	389.71	3.28	-68.19
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300025252369	0	50	0.0	-75.52	398.31	3.85	-71.67
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300025252369	1	50	0.0	-75.41	399.17	3.80	-71.61
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300025252371	0	48	0.0	-70.75	393.07	1.26	-69.49
C[C@H]1CN(C(=O)CSC2=NC(=O)NN2)CCN1C(=O)CN=[N+]=[N-]	REAL300025252390	0	39	0.0	-23.40	334.41	-2.43	-25.83
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025252422	0	49	0.0	-70.98	375.77	2.51	-68.47
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300025252422	1	49	0.0	-69.10	386.17	3.09	-66.01
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025252489	0	52	0.0	-71.74	406.67	3.73	-68.01
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300025252496	0	53	0.0	-66.51	403.59	4.05	-62.46
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC=CC[N@H+]1C	REAL300025252496	1	53	0.0	-66.91	407.63	4.31	-62.60
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)COCC[NH+](C)C	REAL300025252523	0	52	0.0	-72.00	417.23	3.40	-68.60
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300025252540	0	45	0.0	-68.43	384.50	2.15	-66.28
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300025252584	0	52	0.0	-66.21	393.45	3.75	-62.46
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300025252584	1	52	0.0	-66.21	393.45	3.75	-62.46
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300025252585	0	55	0.0	-71.87	408.43	4.04	-67.83
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300025252588	0	47	0.0	-69.86	388.59	5.49	-64.37
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300025252605	0	49	0.0	-69.50	386.78	3.40	-66.10
CC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)C[NH+](C)C	REAL300025252622	0	54	0.0	-74.23	418.57	4.31	-69.92
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCCN1C	REAL300025252639	0	53	0.0	-78.11	407.80	1.84	-76.27
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCC[N@@H+]1C	REAL300025252639	1	53	0.0	-78.85	412.10	2.10	-76.75
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCC[N@H+]1C	REAL300025252639	1	53	0.0	-78.85	412.10	2.10	-76.75
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300025252686	0	53	0.0	-72.15	417.35	0.67	-71.48
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1C[NH+](C)C1	REAL300025252707	0	49	0.0	-73.38	388.48	2.78	-70.60
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[N@H+](C)CCO	REAL300025252729	0	52	0.0	-73.28	407.81	0.03	-73.25
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[N@@H+](C)CCO	REAL300025252729	1	52	0.0	-73.28	407.81	0.03	-73.25
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CCCC[N@@H+]1C	REAL300025252740	0	55	0.0	-66.18	413.19	4.38	-61.80
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CCCC[N@H+]1C	REAL300025252740	1	55	0.0	-66.18	413.19	4.38	-61.80
CC1CCN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252751	0	49	0.0	-71.08	388.65	3.05	-68.03
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252751	1	49	0.0	-70.46	383.18	2.78	-67.68
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252751	1	49	0.0	-70.46	383.18	2.78	-67.68
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+](C)C	REAL300025252755	0	49	0.0	-75.90	393.57	3.24	-72.66
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC(C)(C)C1	REAL300025252759	0	52	0.0	-73.26	411.99	3.87	-69.39
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300025252759	1	52	0.0	-73.26	411.99	3.87	-69.39
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCCC1CO	REAL300025252790	0	53	0.0	-71.42	411.51	0.44	-70.98
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252792	0	51	0.0	-70.80	388.68	3.03	-67.77
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CCC1	REAL300025252801	0	46	0.0	-73.04	367.69	2.45	-70.59
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC1	REAL300025252801	1	46	0.0	-73.04	367.69	2.45	-70.59
CC[NH+](CC)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025252823	0	54	0.0	-73.55	419.35	4.22	-69.33
CCC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)C[NH+](C)C	REAL300025252866	0	57	0.0	-73.86	428.71	4.51	-69.35
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025252891	0	52	0.0	-70.27	390.88	3.37	-66.90
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC(O)C[NH+](C)C	REAL300025252907	0	52	0.0	-77.30	413.96	1.32	-75.98
C=CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025252927	0	52	0.0	-68.10	401.88	3.64	-64.46
C[C@H]1CN(C(=O)CSC(N)=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025252953	0	43	0.0	-74.77	369.91	-0.78	-75.55
C[C@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025252976	0	55	0.0	-76.20	432.19	4.59	-71.61
C[C@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025252977	0	53	0.0	-76.48	412.66	4.36	-72.12
C[C@H]1CN(C(=O)CC2CC=CC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025252977	1	53	0.0	-76.48	412.66	4.36	-72.12
CCC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)C1	REAL300025253058	0	52	0.0	-74.55	414.02	4.11	-70.44
C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253063	1	49	0.0	-68.55	379.20	2.75	-65.80
C[C@H]1CN(C(=O)C[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253080	0	52	0.0	-73.17	403.07	4.12	-69.05
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)CC[N@@H+]1C	REAL300025253085	0	52	0.0	-71.47	398.73	3.33	-68.14
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)CC[N@H+]1C	REAL300025253085	1	52	0.0	-72.26	398.89	3.36	-68.90
C[C@H]1CN(C(=O)CC2COCCN2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253113	0	53	0.0	-69.67	404.49	1.98	-67.69
C[C@H]1CN(C(=O)CC2COCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253113	1	53	0.0	-78.34	407.83	1.84	-76.50
C[C@H]1CN(C(=O)CC2COCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253113	1	53	0.0	-69.67	404.49	1.98	-67.69
CCOCC(N=[N+]=[N-])C(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)[C@@H](C)C1	REAL300025253120	0	49	0.0	-22.71	407.31	-1.86	-24.57
C[NH+](C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)OC(C)(C)C1	REAL300025253195	0	53	0.0	-79.53	418.44	1.97	-77.56
CC1(C)CN(C(=O)CN=[N+]=[N-])CC2(CN(C(=O)CSC3=NC(=O)NN3)C2)O1	REAL300025253200	0	47	0.0	-25.51	397.25	-2.45	-27.96
CC1(C)CN(C(=O)CSC2=NC(=O)NN2)CC2(CN(C(=O)CN=[N+]=[N-])C2)O1	REAL300025253259	0	47	0.0	-25.15	395.37	-2.35	-27.50
C[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)O2	REAL300025253266	0	53	0.0	-71.54	418.44	2.05	-69.49
CC(C)[C@H]1CN(C(=O)C2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253373	0	55	0.0	-68.17	407.31	3.59	-64.58
CC(C)[C@H]1CN(C(=O)C2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253373	1	55	0.0	-70.23	406.35	3.52	-66.71
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C(C)C)C1)[NH+](C)C	REAL300025253473	0	57	0.0	-68.53	414.65	3.78	-64.75
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C(C)C)C1	REAL300025253478	0	57	0.0	-72.44	427.56	4.42	-68.02
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C(C)C)C1	REAL300025253478	1	57	0.0	-72.43	427.45	4.40	-68.03
CC(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253486	0	55	0.0	-68.39	413.10	3.78	-64.61
CC(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253486	1	55	0.0	-70.28	406.85	3.54	-66.74
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C(C)C)C1	REAL300025253491	0	57	0.0	-70.10	423.59	4.30	-65.80
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C(C)C)C1	REAL300025253547	0	57	0.0	-73.58	428.44	4.28	-69.30
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C(C)C)C1	REAL300025253547	1	57	0.0	-73.44	428.44	4.28	-69.16
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C(C)C)C1)[NH+](C)C	REAL300025253550	0	57	0.0	-70.29	417.62	3.95	-66.34
CC(C)[C@H]1CN(C(=O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253568	0	51	0.0	-72.82	388.33	3.01	-69.81
CC(C)[C@H]1CN(C(=O)C(C)[NH+]2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253572	1	55	0.0	-69.49	412.76	3.76	-65.73
CC(C)[C@H]1CN(C(=O)C[N@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253578	0	55	0.0	-69.92	417.75	4.42	-65.50
CC(C)[C@H]1CN(C(=O)C[N@@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253578	1	55	0.0	-69.20	417.60	4.41	-64.79
CC(C)[C@H]1CN(C(=O)CC2C[NH+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253584	0	55	0.0	-73.02	419.63	3.88	-69.14
CC(C)[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253591	0	54	0.0	-70.23	403.48	3.29	-66.94
CC(C)[C@H]1CN(C(=O)CN=[N+]=[N-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300025253594	0	45	0.0	-23.09	365.19	-1.41	-24.50
CC(C)[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253612	0	54	0.0	-70.23	403.48	3.29	-66.94
CC(C)[C@H]1CN(C(=O)C[NH+]2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253630	1	52	0.0	-72.37	398.43	3.42	-68.95
CC(C)[C@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253641	0	54	0.0	-69.78	404.69	3.35	-66.43
CC(C)[C@H]1CN(C(=O)C[NH+]2CC(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253647	1	55	0.0	-72.40	419.63	4.09	-68.31
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C(C)C)C1	REAL300025253664	0	54	0.0	-72.05	405.66	3.54	-68.51
CC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C(C)C)C1	REAL300025253664	1	54	0.0	-72.06	405.95	3.66	-68.40
CC(C)[C@H]1CN(C(=O)C=CC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253680	0	55	0.0	-75.53	423.11	4.23	-71.30
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C(C)C)C1	REAL300025253686	1	55	0.0	-69.40	411.84	3.73	-65.67
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C(C)C)C1	REAL300025253686	1	55	0.0	-70.74	418.81	3.91	-66.83
CC(C)[C@H]1CN(C(=O)C(C)(C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253699	0	57	0.0	-70.46	407.42	3.46	-67.00
CC(C)[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253721	0	55	0.0	-71.51	410.05	3.57	-67.94
CC(C)[C@H]1CN(C(=O)C(C)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253743	0	57	0.0	-68.11	422.62	3.91	-64.20
CC(C)[C@H]1CN(C(=O)C[N@@H+]2CCC2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253752	1	55	0.0	-70.98	419.70	4.10	-66.88
CC(C)[C@H]1CN(C(=O)C[N@H+]2CCC2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253752	1	55	0.0	-69.80	413.70	3.73	-66.07
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300025253861	0	55	0.0	-69.28	409.51	3.73	-65.55
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C	REAL300025253861	1	55	0.0	-68.84	410.47	3.78	-65.06
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(C)C)[NH+](C)C	REAL300025253932	0	57	0.0	-70.46	414.59	3.87	-66.59
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(C)C	REAL300025253935	0	57	0.0	-73.64	426.95	4.39	-69.25
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(C)C	REAL300025253935	1	57	0.0	-73.99	426.28	4.24	-69.75
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(C)C	REAL300025253951	0	57	0.0	-74.01	428.38	4.28	-69.73
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(C)C	REAL300025253951	1	57	0.0	-74.04	428.34	4.27	-69.77
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(C)C)[NH+](C)C	REAL300025253976	0	57	0.0	-71.24	415.70	3.72	-67.52
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300025254013	0	55	0.0	-69.15	407.56	3.63	-65.52
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300025254013	1	55	0.0	-70.30	406.85	3.59	-66.71
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H](C)[NH+](C)C	REAL300025254057	0	54	0.0	-70.94	402.01	3.29	-67.65
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC(C)C1	REAL300025254081	1	55	0.0	-73.43	418.97	4.05	-69.38
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(C)C	REAL300025254097	0	54	0.0	-73.19	406.06	3.68	-69.51
CC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(C)C	REAL300025254097	1	54	0.0	-73.24	406.07	3.68	-69.56
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C(C)C[NH+](C)C	REAL300025254122	0	57	0.0	-72.93	423.38	4.03	-68.90
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H](C)[NH+](C)C	REAL300025254126	0	54	0.0	-70.37	403.62	3.30	-67.07
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(C)C	REAL300025254129	1	55	0.0	-70.19	411.67	3.68	-66.51
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(C)C	REAL300025254129	1	55	0.0	-71.68	418.58	3.88	-67.80
CC(C)[C@H]1CN(C(=O)CSC2=NC(=O)NN2)CCN1C(=O)CN=[N+]=[N-]	REAL300025254176	0	45	0.0	-22.46	364.56	-1.43	-23.89
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025254185	0	55	0.0	-72.46	401.27	3.22	-69.24
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300025254185	1	55	0.0	-69.58	410.88	3.86	-65.72
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300025254215	0	55	0.0	-71.10	417.74	4.44	-66.66
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CC1	REAL300025254215	1	55	0.0	-70.41	416.88	4.39	-66.02
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1C[NH+](C)C1	REAL300025254239	0	55	0.0	-73.29	419.70	3.88	-69.41
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+](C)C	REAL300025254242	0	51	0.0	-74.01	388.28	3.00	-71.01
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H](C)[NH+](C)C	REAL300025254245	0	54	0.0	-70.94	402.01	3.29	-67.65
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCC1C	REAL300025254250	1	55	0.0	-70.98	413.97	3.81	-67.17
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CCC1C	REAL300025254250	1	55	0.0	-71.72	419.60	4.09	-67.63
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+](C)C	REAL300025254251	0	55	0.0	-75.56	424.02	4.12	-71.44
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(C)C	REAL300025254257	0	57	0.0	-71.31	423.58	4.29	-67.02
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC1	REAL300025254258	1	52	0.0	-73.71	398.41	3.37	-70.34
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C(C)[NH+]1CCC1	REAL300025254275	1	55	0.0	-70.27	413.50	3.82	-66.45
CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025254334	0	55	0.0	-70.84	405.93	3.32	-67.52
CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025254334	1	55	0.0	-67.91	410.71	3.83	-64.08
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@@H+]1C	REAL300025254456	0	55	0.0	-61.93	420.81	3.97	-57.96
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@H+]1C	REAL300025254456	1	55	0.0	-65.61	420.30	3.92	-61.69
CCC(C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025254556	0	57	0.0	-60.93	429.34	4.32	-56.61
CCC[N@H+](C)CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025254561	0	57	0.0	-65.39	440.84	4.84	-60.55
CCC[N@@H+](C)CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025254561	1	57	0.0	-62.80	440.27	4.81	-57.99
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300025254569	0	55	0.0	-60.02	425.13	4.27	-55.75
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCC[N@H+]1C	REAL300025254569	1	55	0.0	-66.69	420.63	3.94	-62.75
CC[NH+](CC)CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025254574	0	57	0.0	-63.44	433.19	4.50	-58.94
CC[N@H+](C)CCC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025254630	0	57	0.0	-67.38	441.62	4.67	-62.71
CC[N@@H+](C)CCC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025254630	1	57	0.0	-65.47	441.14	4.68	-60.79
CC[C@@H](C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025254633	0	57	0.0	-60.37	429.00	4.48	-55.89
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+](C)C	REAL300025254651	0	51	0.0	-65.83	401.61	3.42	-62.41
CC(C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025254655	1	55	0.0	-62.09	428.74	4.30	-57.79
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+](C)C1CC1	REAL300025254661	0	55	0.0	-60.38	430.41	4.82	-55.56
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+](C)C1CC1	REAL300025254661	1	55	0.0	-61.36	430.45	4.81	-56.55
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1C[NH+](C)C1	REAL300025254667	0	55	0.0	-66.95	432.48	4.27	-62.68
C[C@@H](C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025254674	0	54	0.0	-65.44	416.77	3.74	-61.70
CN(CC1CCCN(C(=O)CSC2=NC(=O)NN2)C1)C(=O)CN=[N+]=[N-]	REAL300025254677	0	45	0.0	-23.82	378.66	-0.96	-24.78
C[C@@H](C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025254695	0	54	0.0	-65.44	416.77	3.74	-61.70
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CCC1	REAL300025254713	1	52	0.0	-62.92	411.09	3.81	-59.11
C[C@H](C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025254724	0	54	0.0	-63.36	417.94	3.74	-59.62
CC1C[NH+](CC(=O)N(C)CC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025254730	1	55	0.0	-65.19	432.82	4.50	-60.69
CC[N@H+](C)CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025254747	0	54	0.0	-62.85	418.77	4.07	-58.78
CC[N@@H+](C)CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025254747	1	54	0.0	-62.83	418.72	4.05	-58.78
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C=CC[NH+](C)C	REAL300025254763	0	55	0.0	-70.23	436.75	4.67	-65.56
CC[N@@H+]1CCC1C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025254769	1	55	0.0	-62.44	424.59	4.05	-58.39
CC[N@H+]1CCC1C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025254769	1	55	0.0	-64.73	431.64	4.29	-60.44
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C(C)(C)[NH+](C)C	REAL300025254782	0	57	0.0	-64.21	420.58	4.26	-59.95
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1([NH+](C)C)CC1	REAL300025254804	0	55	0.0	-62.32	421.68	3.94	-58.38
CC(C[NH+](C)C)C(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025254826	0	57	0.0	-64.84	434.84	4.56	-60.28
CC1CC[N@@H+]1CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025254835	1	55	0.0	-63.27	427.89	4.30	-58.97
CC1CC[N@H+]1CC(=O)N(C)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025254835	1	55	0.0	-61.52	426.82	4.21	-57.31
CN(CC1CCCN(C(=O)C2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025254944	0	55	0.0	-68.78	419.12	3.99	-64.79
CN(CC1CCCN(C(=O)C2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025254944	1	55	0.0	-66.93	422.72	4.19	-62.74
CCC(C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025255015	0	57	0.0	-67.31	425.50	4.22	-63.09
CCC[N@H+](C)CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255019	0	57	0.0	-70.79	440.15	4.83	-65.96
CCC[N@@H+](C)CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255019	1	57	0.0	-71.95	440.35	4.84	-67.11
CC[N@H+](C)CCC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255036	0	57	0.0	-72.51	440.97	4.68	-67.83
CC[N@@H+](C)CCC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255036	1	57	0.0	-72.44	440.97	4.68	-67.76
CC[C@@H](C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025255076	0	57	0.0	-70.05	430.72	4.38	-65.67
CN(CC1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255122	0	55	0.0	-67.65	422.58	4.25	-63.40
CN(CC1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255122	1	55	0.0	-69.57	419.63	3.95	-65.62
C[C@@H](C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025255176	0	54	0.0	-70.05	417.49	3.78	-66.27
CC1C[NH+](CC(=O)N2CCCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025255200	1	55	0.0	-72.38	432.40	4.49	-67.89
CC[N@H+](C)CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255218	0	54	0.0	-71.90	418.79	4.08	-67.82
CC[N@@H+](C)CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255218	1	54	0.0	-70.36	418.60	4.10	-66.26
CC(C[NH+](C)C)C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255248	0	57	0.0	-68.03	437.16	4.54	-63.49
CN(CC1CCCN(C(=O)C2([NH+](C)C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255251	0	55	0.0	-78.49	423.11	3.99	-74.50
C[C@H](C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025255255	0	54	0.0	-72.17	417.35	3.75	-68.42
CC[N@@H+]1CCC1C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255258	1	55	0.0	-69.66	422.63	4.02	-65.64
CC[N@H+]1CCC1C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255258	1	55	0.0	-69.64	431.29	4.31	-65.33
CN(CC1CCCN(C(=O)C(C)(C)[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255266	0	57	0.0	-69.54	421.95	3.93	-65.61
CN(CC1CCCN(C(=O)CN=[N+]=[N-])C1)C(=O)CSC1=NC(=O)NN1	REAL300025255312	0	45	0.0	-23.71	377.99	-1.01	-24.72
CN(CC1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255325	0	55	0.0	-68.96	419.38	3.96	-65.00
CN(CC1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255325	1	55	0.0	-67.85	426.08	4.33	-63.52
CN(CC1CCCN(C(=O)C[N@H+](C)C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255362	0	55	0.0	-68.33	430.27	4.84	-63.49
CN(CC1CCCN(C(=O)C[N@@H+](C)C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255362	1	55	0.0	-67.72	430.13	4.83	-62.89
CN(CC1CCCN(C(=O)CC2C[NH+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255390	0	55	0.0	-72.48	432.16	4.30	-68.18
CN(CC1CCCN(C(=O)C[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255393	0	51	0.0	-71.33	400.87	3.43	-67.90
C[C@@H](C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025255396	0	54	0.0	-70.05	417.49	3.78	-66.27
CC1CC[N@@H+]1CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255403	1	55	0.0	-70.81	432.41	4.51	-66.30
CC1CC[N@H+]1CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255403	1	55	0.0	-68.38	427.37	4.30	-64.08
CN(CC1CCCN(C(=O)C=CC[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255404	0	55	0.0	-77.55	437.65	4.65	-72.90
CC[NH+](CC)CC(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255410	0	57	0.0	-68.72	436.85	4.78	-63.94
CN(CC1CCCN(C(=O)C[NH+]2CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255411	1	52	0.0	-70.86	411.22	3.89	-66.97
CC(C(=O)N1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025255433	1	55	0.0	-70.25	419.92	3.96	-66.29
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025255501	0	55	0.0	-58.54	416.56	3.92	-54.62
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300025255501	1	55	0.0	-64.20	425.61	4.29	-59.91
C[N@@H+]1CCCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025255683	0	49	0.0	-70.30	391.37	1.40	-68.90
C[N@H+]1CCCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025255683	1	49	0.0	-74.48	391.13	1.43	-73.05
C[N@@H+]1CCOC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255707	1	50	0.0	-84.81	408.66	1.34	-83.47
C[N@H+]1CCOC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255707	1	50	0.0	-73.56	401.40	1.18	-72.38
CC(C)[N@@H+]1CCCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025255851	0	55	0.0	-70.31	423.98	3.18	-67.13
CC(C)[N@H+]1CCCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025255851	1	55	0.0	-72.17	424.12	3.18	-68.99
CC1=[NH+]C=CN1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025255874	1	47	0.0	-69.81	400.96	2.45	-67.36
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1C[NH+]2CCC1CC2	REAL300025255894	0	53	0.0	-83.13	412.49	2.69	-80.44
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025255922	0	52	0.0	-79.70	407.43	1.87	-77.83
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025255922	1	52	0.0	-78.46	414.60	2.05	-76.41
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025255924	0	55	0.0	-77.17	427.69	2.56	-74.61
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025255924	1	55	0.0	-76.28	433.20	2.91	-73.37
CC[N@@H+]1CCOC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255929	1	53	0.0	-82.80	426.46	1.98	-80.82
CC[N@H+]1CCOC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025255929	1	53	0.0	-86.68	426.76	1.94	-84.74
CC1CCC(C)[NH+]1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025255974	0	55	0.0	-71.58	419.22	2.45	-69.13
O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025255976	0	55	0.0	-75.70	441.46	3.39	-72.31
O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025255979	0	55	0.0	-74.97	435.30	3.31	-71.66
CC[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025255982	0	55	0.0	-69.89	431.13	3.11	-66.78
CC[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025255982	1	55	0.0	-67.61	431.14	3.10	-64.51
C[NH+](C)C1(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025255992	0	52	0.0	-55.46	394.92	3.94	-51.52
CC(C)[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025255998	0	54	0.0	-50.78	413.27	4.13	-46.65
C[N@H+](CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025256016	0	52	0.0	-70.64	417.85	2.84	-67.80
C[N@@H+](CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025256016	1	52	0.0	-71.38	417.75	2.83	-68.55
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256070	1	51	0.0	-71.65	417.91	2.65	-69.00
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256070	1	51	0.0	-71.64	423.46	3.15	-68.49
C[N@@H+]1CCCC1CCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256075	0	55	0.0	-73.76	432.98	2.92	-70.84
C[N@H+]1CCCC1CCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256075	1	55	0.0	-78.01	435.16	3.21	-74.80
C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025256091	0	52	0.0	-79.17	415.69	2.53	-76.64
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256118	0	52	0.0	-70.20	404.25	2.24	-67.96
C[N@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256118	1	52	0.0	-71.85	404.28	2.27	-69.58
O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256171	1	53	0.0	-78.61	426.90	0.87	-77.74
CC1=C[NH+]=CN1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256183	1	47	0.0	-73.62	401.39	3.20	-70.42
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2	REAL300025256199	0	53	0.0	-75.19	414.07	2.64	-72.55
C[N@@H+]1CCC(CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256204	0	52	0.0	-76.09	417.49	2.49	-73.60
C[N@H+]1CCC(CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256204	1	52	0.0	-77.12	417.81	2.45	-74.67
CCC(C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025256210	0	51	0.0	-71.19	402.31	1.85	-69.34
C[NH+](C)CCCCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256257	0	54	0.0	-78.20	436.99	3.00	-75.20
CC(C)C(C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025256268	0	54	0.0	-51.35	414.69	4.19	-47.16
CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256269	0	54	0.0	-76.69	433.22	2.80	-73.89
CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256269	1	54	0.0	-76.38	432.88	2.86	-73.52
CCC[N@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256272	0	51	0.0	-73.13	410.86	2.26	-70.87
CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256272	1	51	0.0	-73.07	410.52	2.29	-70.78
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300025256285	0	53	0.0	-83.40	413.73	2.08	-81.32
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300025256285	1	53	0.0	-76.50	413.26	2.06	-74.44
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256307	0	49	0.0	-71.35	391.01	1.43	-69.92
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256307	1	49	0.0	-69.09	397.05	1.83	-67.26
CC[NH+](CC)CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256334	0	51	0.0	-71.63	402.72	1.93	-69.70
CC1CC[NH+](CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025256387	0	55	0.0	-73.67	434.21	3.34	-70.33
C[NH+](C)CC1(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025256405	0	52	0.0	-63.93	414.29	3.74	-60.19
C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025256451	0	52	0.0	-79.17	415.69	2.53	-76.64
CC(C)[C@H](C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025256466	0	54	0.0	-69.85	417.36	2.38	-67.47
CCC(C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025256493	0	57	0.0	-66.19	435.83	3.29	-62.90
CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256523	0	51	0.0	-75.77	411.39	2.11	-73.66
CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256523	1	51	0.0	-75.88	411.72	2.08	-73.80
CC1CCC[N@@H+]1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256546	0	52	0.0	-69.75	417.39	2.54	-67.21
CC1CCC[N@H+]1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256546	1	52	0.0	-70.58	415.83	2.64	-67.94
CC1CC[N@H+](CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256547	0	52	0.0	-72.53	416.93	2.60	-69.93
CC1CC[N@@H+](CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256547	1	52	0.0	-71.77	416.73	2.57	-69.20
CC1(C)CC[N@H+](CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256549	0	55	0.0	-72.35	436.08	3.13	-69.22
CC1(C)CC[N@@H+](CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256549	1	55	0.0	-72.36	436.09	3.13	-69.23
C[N@H+](CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025256550	0	57	0.0	-73.01	440.01	3.27	-69.74
C[N@@H+](CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025256550	1	57	0.0	-73.00	442.03	3.39	-69.61
CC[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025256557	0	51	0.0	-72.11	404.81	2.45	-69.66
C[NH+](C)CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256629	0	45	0.0	-73.48	371.29	0.89	-72.59
O=C(C[NH+]1CCCCCC1)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256632	0	55	0.0	-71.97	422.60	2.90	-69.07
CN1C=C[N+](CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025256635	0	47	0.0	-70.90	402.88	4.36	-66.54
C[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256639	0	52	0.0	-65.85	409.45	2.72	-63.13
C[N@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256639	1	52	0.0	-67.53	409.92	2.66	-64.87
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300025256644	0	53	0.0	-68.50	429.10	3.34	-65.16
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300025256644	1	53	0.0	-70.88	421.47	2.74	-68.14
CC(C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025256656	1	49	0.0	-71.52	399.78	1.92	-69.60
CCC(CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025256660	0	57	0.0	-77.70	442.56	3.38	-74.32
C[NH+](C)CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256665	0	54	0.0	-71.74	419.30	2.51	-69.23
O=C(C[NH+]1CCC(O)CC1)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256676	1	53	0.0	-76.58	424.11	-0.60	-77.18
C[N@H+](CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025256677	0	49	0.0	-69.77	400.56	2.29	-67.48
C[N@@H+](CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025256677	1	49	0.0	-70.74	400.72	2.29	-68.45
C[NH+]1CC(CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256691	0	49	0.0	-76.39	402.35	1.70	-74.69
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256701	0	55	0.0	-70.01	432.42	2.57	-67.44
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256701	1	55	0.0	-70.52	433.17	2.57	-67.95
C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025256711	0	48	0.0	-71.86	388.81	1.31	-70.55
[N-]=[N+]=NCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025256718	0	39	0.0	-25.59	348.25	-3.52	-29.11
[NH2+]=C1SC=CN1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256760	0	45	0.0	-69.02	398.63	1.02	-68.00
C[N@H+](CCO)CCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256765	0	52	0.0	-75.05	421.74	-1.11	-76.16
C[N@@H+](CCO)CCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256765	1	52	0.0	-75.56	422.04	-1.17	-76.73
C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025256766	0	48	0.0	-71.86	388.81	1.31	-70.55
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256769	0	52	0.0	-70.19	404.28	2.25	-67.94
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256769	1	52	0.0	-68.10	413.28	2.45	-65.65
O=C(C[NH+]1CCC1)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256814	1	46	0.0	-73.41	381.39	1.32	-72.09
C[N@@H+]1CCC(=CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256828	0	50	0.0	-78.15	409.23	2.44	-75.71
C[N@H+]1CCC(=CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256828	1	50	0.0	-78.45	409.53	2.42	-76.03
C[NH+](C)CCOCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256848	0	52	0.0	-73.79	427.17	1.94	-71.85
C=CCC(C)(C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025256859	0	55	0.0	-76.85	423.06	2.65	-74.20
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256876	0	53	0.0	-51.09	406.56	-0.26	-51.35
CC1CN(CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256893	0	49	0.0	-74.56	401.62	1.99	-72.57
CC1C[NH+](CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256893	1	49	0.0	-74.56	401.62	1.99	-72.57
CN(CCO)CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256910	0	49	0.0	-74.33	399.37	-1.67	-76.00
C[N@H+](CCO)CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256910	1	49	0.0	-73.40	399.14	-1.65	-75.05
C[N@@H+](CCO)CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256910	1	49	0.0	-73.40	399.14	-1.65	-75.05
CC[N@@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256929	0	55	0.0	-73.28	433.56	3.17	-70.11
CC[N@H+]1CCCC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256929	1	55	0.0	-73.28	433.56	3.17	-70.11
CC(CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025256931	0	54	0.0	-81.09	428.17	2.88	-78.21
CC[N@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256934	0	48	0.0	-72.98	389.36	1.53	-71.45
CC[N@H+](CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025256958	0	52	0.0	-70.35	417.42	2.84	-67.51
CC[NH+](CC)CCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256966	0	54	0.0	-74.95	429.29	2.74	-72.21
CC1(O)CC[N@H+](CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025256996	0	53	0.0	-71.61	427.55	-0.74	-72.35
C[NH+](C)CC=CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256999	0	49	0.0	-80.04	407.55	2.05	-77.99
COCCN(C)CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257012	0	52	0.0	-72.98	421.58	0.76	-72.22
COCC[N@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257012	1	52	0.0	-74.51	421.62	0.72	-73.79
COCC[N@@H+](C)CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257012	1	52	0.0	-74.51	421.62	0.72	-73.79
C[NH+](C)C1(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025257029	0	55	0.0	-54.13	405.49	4.08	-50.05
CC(CCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025257031	0	54	0.0	-75.18	428.00	2.60	-72.58
CCN1CCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257037	0	49	0.0	-72.70	402.95	1.86	-70.84
CC[N@@H+]1CCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257037	1	49	0.0	-73.30	394.62	1.46	-71.84
CC[N@H+]1CCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257037	1	49	0.0	-73.30	394.62	1.46	-71.84
O=C(C[N@H+]1CCCC1CO)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257047	0	53	0.0	-72.91	424.81	-0.54	-73.45
C[NH+]1CCC(C)(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025257063	0	55	0.0	-75.75	428.56	2.94	-72.81
C=CCC(C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025257079	0	52	0.0	-71.65	418.56	2.53	-69.12
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257086	0	55	0.0	-69.64	437.25	3.08	-66.56
C[NH+](C)CCCCCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257088	0	57	0.0	-77.27	458.15	3.81	-73.46
CCCC(C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025257105	0	54	0.0	-71.36	426.13	2.85	-68.51
C[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257108	0	51	0.0	-76.73	399.04	1.99	-74.74
C[N@@H+]1CCCCC1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257131	0	52	0.0	-71.85	404.28	2.27	-69.58
C[N@H+]1CC=C(CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025257150	0	53	0.0	-73.27	430.73	3.17	-70.10
C[N@@H+]1CC=C(CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025257150	1	53	0.0	-70.91	430.46	3.20	-67.71
O=C(C=CC[NH+]1CCCC1)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257180	0	53	0.0	-78.64	432.49	3.17	-75.47
C[NH+](C)C1(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025257206	0	49	0.0	-57.57	390.29	3.33	-54.24
O=C(CC[NH+]1CCCC1)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257207	0	52	0.0	-75.16	419.62	2.62	-72.54
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1C[NH+]2CCN1CC2	REAL300025257228	0	52	0.0	-79.16	408.19	-0.73	-79.89
C[N@@H+]1CC2CC1(C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025257232	0	50	0.0	-76.68	403.83	1.98	-74.70
C[N@H+]1CC2CC1(C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025257232	1	50	0.0	-56.85	389.60	3.35	-53.50
O=C(C[N@@H+]1CC2CCC1C2)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257237	0	53	0.0	-71.07	418.31	2.95	-68.12
O=C(C[N@H+]1CC2CCC1C2)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257237	1	53	0.0	-70.32	416.01	2.77	-67.55
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257272	1	51	0.0	-68.86	410.67	2.72	-66.14
O=C(C[N@H+]1CC2C=CC1C2)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257272	1	51	0.0	-71.37	410.66	2.81	-68.56
CC(C[NH+](C)C)C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257302	0	51	0.0	-75.99	409.54	2.13	-73.86
C[N@@H+]1CCCCC1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257341	0	55	0.0	-77.33	430.82	3.04	-74.29
C[N@H+]1CCCCC1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257341	1	55	0.0	-77.88	430.99	3.00	-74.88
CC(C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025257350	1	52	0.0	-71.39	419.26	2.64	-68.75
CC1CC[N@@H+]1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257352	1	49	0.0	-72.00	402.94	1.92	-70.08
CC1CC[N@H+]1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257352	1	49	0.0	-72.60	402.94	1.93	-70.67
C[NH+](C)CC(O)CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257354	0	52	0.0	-80.18	424.23	-0.14	-80.32
CC1C[N@H+](C)CC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025257371	1	53	0.0	-87.55	423.17	2.06	-85.49
CC1C[N@@H+](C)CC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025257371	1	53	0.0	-85.55	429.86	2.07	-83.48
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025257409	0	52	0.0	-74.21	420.66	2.60	-71.61
CC(CC[NH+](C)C)C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257413	0	54	0.0	-76.02	431.14	2.77	-73.25
C[NH+]1CCN(CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025257428	1	54	0.0	-75.17	429.95	0.38	-74.79
C[N@@H+]1CCCC1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025257598	0	49	0.0	-69.71	389.69	1.32	-68.39
C[N@H+]1CCCC1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025257598	1	49	0.0	-68.39	393.41	1.65	-66.74
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1	REAL300025257771	1	53	0.0	-77.09	426.60	0.85	-76.24
C[N@@H+]1CCC(CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025257797	0	52	0.0	-76.67	417.88	2.44	-74.23
C[N@H+]1CCC(CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025257797	1	52	0.0	-75.04	417.99	2.45	-72.59
CCC(C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025257803	0	51	0.0	-69.87	401.74	1.83	-68.04
C[NH+](C)CCCCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025257833	0	54	0.0	-76.13	436.73	2.98	-73.15
CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025257845	0	54	0.0	-74.73	433.22	2.79	-71.94
CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025257845	1	54	0.0	-74.69	433.23	2.77	-71.92
CCC[N@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025257847	0	51	0.0	-71.88	410.53	2.22	-69.66
CCC[N@@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025257847	1	51	0.0	-71.97	410.53	2.23	-69.74
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300025257857	0	53	0.0	-68.40	401.06	2.55	-65.85
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300025257857	1	53	0.0	-75.21	404.57	1.64	-73.57
CC1CC[NH+](CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025257880	0	55	0.0	-72.82	433.70	3.26	-69.56
C[NH+](C)CC1(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025257908	0	52	0.0	-73.32	414.29	3.25	-70.07
CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025257922	0	51	0.0	-74.31	411.42	2.07	-72.24
CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025257922	1	51	0.0	-74.37	411.41	2.07	-72.30
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1C[NH+]2CCC1CC2	REAL300025257933	0	53	0.0	-81.49	408.00	2.27	-79.22
C[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025257963	0	52	0.0	-77.81	411.14	2.20	-75.61
CCC(C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025258040	0	57	0.0	-66.07	431.61	2.71	-63.36
CC1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258048	0	52	0.0	-68.65	416.98	2.58	-66.07
CC1CCC[N@H+]1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258048	1	52	0.0	-69.20	416.26	2.49	-66.71
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258074	0	55	0.0	-67.94	427.07	2.75	-65.19
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258074	1	55	0.0	-67.34	425.99	2.71	-64.63
CC1CC[N@H+](CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025258088	0	52	0.0	-70.56	416.96	2.48	-68.08
CC1CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025258088	1	52	0.0	-71.40	416.65	2.57	-68.83
CC1(C)CC[N@H+](CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025258090	0	55	0.0	-71.10	436.24	3.08	-68.02
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025258090	1	55	0.0	-70.52	436.50	3.04	-67.48
C[N@H+](CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025258091	0	57	0.0	-71.29	440.00	3.22	-68.07
C[N@@H+](CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025258091	1	57	0.0	-71.92	441.31	3.37	-68.55
CC[C@@H](C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025258097	0	51	0.0	-69.24	398.33	1.62	-67.62
CC1=[NH+]C=CN1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258169	1	47	0.0	-67.94	400.71	2.42	-65.52
CC[N@@H+]1CCOC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025258207	1	53	0.0	-82.48	421.58	1.66	-80.82
CC[N@H+]1CCOC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025258207	1	53	0.0	-72.05	415.47	1.49	-70.56
CC1=C[NH+]=CN1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258221	1	47	0.0	-71.59	401.34	3.13	-68.46
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025258225	0	52	0.0	-76.27	407.62	2.25	-74.02
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025258225	1	52	0.0	-77.10	413.24	2.00	-75.10
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025258227	0	55	0.0	-69.15	423.61	3.30	-65.85
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025258227	1	55	0.0	-75.34	430.23	2.68	-72.66
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258231	0	55	0.0	-67.57	428.28	2.66	-64.91
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1	REAL300025258233	0	55	0.0	-73.72	441.19	3.39	-70.33
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1	REAL300025258236	0	55	0.0	-73.09	435.64	3.26	-69.83
C[N@H+](CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025258302	0	52	0.0	-69.42	417.42	2.79	-66.63
C[N@@H+](CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025258302	1	52	0.0	-70.09	417.41	2.79	-67.30
C[NH+]1CCC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025258324	0	52	0.0	-77.81	411.14	2.20	-75.61
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258341	0	49	0.0	-69.73	389.75	1.28	-68.45
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258341	1	49	0.0	-68.92	392.27	1.67	-67.25
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258359	0	55	0.0	-77.63	438.73	3.34	-74.29
C[N@H+]1CCCC1CCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258359	1	55	0.0	-76.02	435.21	3.17	-72.85
CC1C(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025258449	0	52	0.0	-78.19	406.44	1.77	-76.42
CC1C(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025258449	1	52	0.0	-75.07	412.23	2.50	-72.57
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258488	0	55	0.0	-70.06	410.51	2.00	-68.06
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258488	1	55	0.0	-63.99	410.70	2.53	-61.46
C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025258501	0	48	0.0	-71.01	386.64	1.13	-69.88
C=CCC(C)(C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025258513	0	55	0.0	-70.34	409.12	3.47	-66.87
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)CC[NH+]1CCCC1	REAL300025258525	0	52	0.0	-73.91	418.63	2.51	-71.40
C[N@H+](CCO)CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258533	1	49	0.0	-73.16	399.38	-1.76	-74.92
C[N@@H+](CCO)CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258533	1	49	0.0	-72.24	399.34	-1.72	-73.96
C[N@H+]1CC=C(CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025258574	0	53	0.0	-71.28	430.52	3.18	-68.10
C[N@@H+]1CC=C(CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025258574	1	53	0.0	-68.81	430.77	3.13	-65.68
CC1C[NH+](CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025258613	1	49	0.0	-73.17	401.19	1.93	-71.24
CC[N@@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025258617	0	55	0.0	-64.22	423.85	2.99	-61.23
CC[N@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025258617	1	55	0.0	-72.15	428.84	2.79	-69.36
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300025258627	0	53	0.0	-74.34	423.06	2.80	-71.54
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300025258627	1	53	0.0	-64.46	408.70	3.38	-61.08
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C=CC[NH+]1CCCC1	REAL300025258644	0	53	0.0	-77.05	432.46	3.22	-73.83
CC[N@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258672	0	48	0.0	-71.66	389.03	1.48	-70.18
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)CN1CC2C=CC1C2	REAL300025258698	0	51	0.0	-69.76	410.96	2.76	-67.00
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025258698	1	51	0.0	-68.17	410.58	2.67	-65.50
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300025258698	1	51	0.0	-68.17	410.58	2.67	-65.50
COCCN(C)CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258763	0	52	0.0	-71.84	421.59	0.68	-71.16
COCC[N@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258763	1	52	0.0	-73.44	421.63	0.65	-72.79
COCC[N@@H+](C)CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258763	1	52	0.0	-73.44	421.63	0.65	-72.79
CC(CCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025258766	0	54	0.0	-73.11	428.41	2.56	-70.55
CC[N@H+](CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025258778	0	52	0.0	-70.79	413.02	2.75	-68.04
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300025258806	0	53	0.0	-70.33	417.75	2.90	-67.43
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300025258806	1	53	0.0	-70.33	417.75	2.90	-67.43
CC(C[NH+](C)C)C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258818	0	51	0.0	-67.71	402.53	2.78	-64.93
CCN1CCC1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258841	0	49	0.0	-71.58	402.84	1.74	-69.84
CC[N@@H+]1CCC1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258841	1	49	0.0	-71.50	402.29	1.68	-69.82
CC[N@H+]1CCC1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258841	1	49	0.0	-71.50	402.29	1.68	-69.82
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258846	0	57	0.0	-63.65	429.04	2.03	-61.62
CCCC(C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025258874	0	54	0.0	-70.48	421.75	2.54	-67.94
CC(CC[NH+](C)C)C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258889	0	54	0.0	-64.89	426.17	3.22	-61.67
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258933	0	55	0.0	-71.26	428.60	2.45	-68.81
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258933	1	55	0.0	-71.26	428.60	2.45	-68.81
C[NH+](C)CCCCCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025258935	0	57	0.0	-75.40	458.23	3.77	-71.63
CN1CCN(CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025258942	0	54	0.0	-73.27	430.14	0.26	-73.01
C[NH+]1CCN(CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025258942	1	54	0.0	-73.27	430.14	0.26	-73.01
CC1CN(C)CC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025258978	0	53	0.0	-72.76	418.90	1.59	-71.17
CC1C[N@H+](C)CC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025258978	1	53	0.0	-83.65	418.32	1.72	-81.93
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025258978	1	53	0.0	-83.65	418.32	1.72	-81.93
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300025259004	0	50	0.0	-71.60	407.18	2.65	-68.95
C[N@@H+]1CCCCC1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259017	0	52	0.0	-60.49	406.33	3.05	-57.44
C[N@@H+]1CCC(=CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025259063	0	50	0.0	-76.28	409.01	2.35	-73.93
C[N@H+]1CCC(=CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025259063	1	50	0.0	-76.28	409.01	2.35	-73.93
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300025259065	0	48	0.0	-73.53	407.01	0.10	-73.43
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259116	0	49	0.0	-72.58	389.78	1.31	-71.27
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259116	1	49	0.0	-72.58	389.78	1.31	-71.27
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025259183	0	52	0.0	-72.64	420.36	2.56	-70.08
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259190	0	53	0.0	-75.79	422.59	2.87	-72.92
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259190	1	53	0.0	-76.92	423.21	2.87	-74.05
C[NH+](C)CCOCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259217	0	52	0.0	-72.32	426.95	1.89	-70.43
[NH2+]=C1SC=CN1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259234	0	45	0.0	-68.55	398.36	0.99	-67.56
C[N@@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025259278	0	52	0.0	-73.95	411.16	2.13	-71.82
C[N@H+]1CCCC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025259278	1	52	0.0	-73.95	411.16	2.13	-71.82
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C[NH+]1CCCCCC1	REAL300025259279	0	55	0.0	-72.22	424.03	3.16	-69.06
CN1C=C[N+](CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025259282	0	47	0.0	-70.02	402.53	4.32	-65.70
C[N@H+](CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025259299	0	49	0.0	-69.64	400.72	2.22	-67.42
CC(CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025259316	0	54	0.0	-75.58	428.27	2.86	-72.72
CN1CCOCC1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259333	0	53	0.0	-69.30	414.72	0.48	-68.82
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259333	1	53	0.0	-65.59	414.75	0.49	-65.10
C[N@H+]1CCOCC1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259333	1	53	0.0	-65.59	414.75	0.49	-65.10
CC1(O)CC[N@H+](CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025259380	0	53	0.0	-72.36	427.97	-0.81	-73.17
C[NH+]1CC(CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025259401	0	49	0.0	-74.19	402.94	1.64	-72.55
C[N@H+](CCO)CCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259423	0	52	0.0	-73.49	422.04	-1.19	-74.68
C[N@@H+](CCO)CCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259423	1	52	0.0	-73.49	422.04	-1.19	-74.68
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259434	0	55	0.0	-63.48	423.08	2.90	-60.58
C[N@H+]1CCCCC1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259434	1	55	0.0	-63.48	423.08	2.90	-60.58
CC1CCN1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259445	0	49	0.0	-70.23	402.95	1.88	-68.35
CC1CC[N@@H+]1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259445	1	49	0.0	-69.90	397.11	1.64	-68.26
CC1CC[N@H+]1CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259445	1	49	0.0	-69.90	397.11	1.64	-68.26
C[NH+](C)CC=CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259449	0	49	0.0	-78.05	406.89	2.00	-76.05
CC1(C)CN(CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025259453	0	52	0.0	-72.43	421.53	2.36	-70.07
CC1(C)C[NH+](CC(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025259453	1	52	0.0	-72.43	421.53	2.36	-70.07
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C[N@H+]1CCCC1CO	REAL300025259484	0	53	0.0	-70.99	420.72	-1.12	-72.11
CC[NH+](CC)CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259486	0	51	0.0	-70.35	402.48	1.88	-68.47
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)CN1CCC1	REAL300025259495	0	46	0.0	-72.43	381.62	1.31	-71.12
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C[NH+]1CCC1	REAL300025259495	1	46	0.0	-72.43	381.62	1.31	-71.12
CC[NH+](CC)CCC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259517	0	54	0.0	-73.73	424.93	2.51	-71.22
CCC(CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025259560	0	57	0.0	-75.74	442.68	3.31	-72.43
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259585	0	52	0.0	-61.85	407.17	3.20	-58.65
C[NH+](C)CC(O)CC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025259601	0	52	0.0	-77.77	424.32	-0.20	-77.97
C=CCC(C(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025259621	0	52	0.0	-68.61	412.39	2.19	-66.42
NC(=[NH2+])SCC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025259647	0	43	0.0	-76.19	379.82	-2.24	-78.43
C[NH+](C)CCC1(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025259670	0	55	0.0	-57.55	437.74	4.41	-53.14
C[N@@H+]1CC=CCC1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025259671	0	53	0.0	-78.33	422.48	2.94	-75.39
C[N@H+]1CC=CCC1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025259671	1	53	0.0	-78.33	422.48	2.94	-75.39
CCC1C[NH+](CC(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025259752	1	52	0.0	-73.96	423.95	2.75	-71.21
C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025259757	1	49	0.0	-74.39	391.69	1.39	-73.00
O=C(C[NH+]1CCCCC1)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025259774	0	52	0.0	-72.78	413.02	2.76	-70.02
CC1C(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025259779	0	52	0.0	-76.26	413.39	2.17	-74.09
CC1C(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025259779	1	52	0.0	-71.78	412.54	2.08	-69.70
CN1CCOCC1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025259807	0	53	0.0	-67.25	414.71	0.52	-66.73
C[N@@H+]1CCOCC1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025259807	1	53	0.0	-81.36	421.75	0.70	-80.66
C[N@H+]1CCOCC1CC(=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025259807	1	53	0.0	-67.25	414.71	0.52	-66.73
CCOCC(N=[N+]=[N-])C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025259814	0	49	0.0	-25.54	424.81	-2.87	-28.41
COCC1(NC(=O)C[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025259936	0	52	0.0	-71.35	409.78	0.99	-70.36
COCC1(NC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025259942	0	46	0.0	-23.03	386.72	-3.40	-26.43
COCC1(NC(=O)CSC2=NC(=O)NN2)CCN(C(=O)CN=[N+]=[N-])CC1	REAL300025260116	0	46	0.0	-24.41	386.77	-3.52	-27.93
COCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+](C)C)CC1	REAL300025260138	0	52	0.0	-75.73	409.78	0.89	-74.84
COCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025260147	1	53	0.0	-75.52	420.19	1.38	-74.14
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260324	0	49	0.0	-70.11	375.92	2.50	-67.61
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260324	1	49	0.0	-70.56	379.94	2.81	-67.75
C[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260348	1	50	0.0	-81.43	394.22	2.52	-78.91
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260348	1	50	0.0	-73.59	383.25	2.04	-71.55
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260492	0	55	0.0	-67.96	416.92	4.16	-63.80
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260492	1	55	0.0	-69.60	398.54	3.72	-65.88
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260515	1	47	0.0	-69.47	390.88	3.87	-65.60
C[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260535	0	53	0.0	-76.84	398.91	3.78	-73.06
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@@H+]1C	REAL300025260563	0	52	0.0	-74.91	391.31	3.15	-71.76
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@H+]1C	REAL300025260563	1	52	0.0	-72.32	397.60	3.74	-68.58
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@@H+]1C	REAL300025260565	0	55	0.0	-74.33	414.45	3.81	-70.52
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@H+]1C	REAL300025260565	1	55	0.0	-72.57	416.03	3.81	-68.76
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300025260570	1	53	0.0	-79.48	408.91	2.91	-76.57
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300025260570	1	53	0.0	-73.01	405.12	2.99	-70.02
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260615	0	55	0.0	-69.04	418.10	4.11	-64.93
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260617	0	55	0.0	-73.36	430.21	4.79	-68.57
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260620	0	55	0.0	-73.62	421.40	4.45	-69.17
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260623	0	55	0.0	-70.03	411.61	4.14	-65.89
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260623	1	55	0.0	-67.60	419.82	4.46	-63.14
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260633	0	52	0.0	-72.77	383.08	2.97	-69.80
CC(C)[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300025260639	0	54	0.0	-68.47	397.90	3.35	-65.12
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260657	0	52	0.0	-71.89	407.52	4.22	-67.67
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260657	1	52	0.0	-71.33	407.64	4.26	-67.07
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260711	1	51	0.0	-68.42	402.66	3.73	-64.69
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260711	1	51	0.0	-70.75	410.18	4.36	-66.39
C[C@@H]1CN(C(=O)CCC2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260716	0	55	0.0	-71.64	418.55	4.02	-67.62
C[C@@H]1CN(C(=O)CCC2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260716	1	55	0.0	-76.07	428.76	4.80	-71.27
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260732	0	52	0.0	-76.04	405.88	3.84	-72.20
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260759	0	52	0.0	-70.83	390.93	3.38	-67.45
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260759	1	52	0.0	-71.20	393.98	3.47	-67.73
C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260812	1	53	0.0	-77.90	416.67	2.33	-75.57
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260824	1	47	0.0	-72.59	391.17	4.62	-67.97
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260840	0	53	0.0	-67.18	397.64	3.54	-63.64
C[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260845	0	52	0.0	-74.78	403.75	3.63	-71.15
C[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260845	1	52	0.0	-73.73	404.17	3.61	-70.12
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300025260851	0	51	0.0	-70.38	386.32	3.03	-67.35
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260898	0	54	0.0	-73.89	422.76	4.15	-69.74
CC(C)C(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300025260909	0	54	0.0	-70.62	400.82	3.70	-66.92
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260910	0	54	0.0	-75.62	422.99	4.30	-71.32
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260910	1	54	0.0	-74.94	418.99	3.98	-70.96
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260913	0	51	0.0	-73.87	400.65	3.69	-70.18
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260913	1	51	0.0	-72.97	396.67	3.38	-69.59
C[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260926	0	53	0.0	-77.54	392.37	2.98	-74.56
C[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260926	1	53	0.0	-73.41	395.28	3.13	-70.28
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260948	0	49	0.0	-69.22	380.17	2.81	-66.41
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260948	1	49	0.0	-71.47	376.16	2.50	-68.97
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025260975	0	51	0.0	-70.89	392.93	3.30	-67.59
CC1CC[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC1	REAL300025261028	0	55	0.0	-73.97	423.93	4.74	-69.23
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261046	0	52	0.0	-71.02	408.47	3.72	-67.30
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261092	0	52	0.0	-76.04	405.88	3.84	-72.20
CC(C)[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300025261107	0	54	0.0	-70.59	399.21	3.73	-66.86
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](CC)CC	REAL300025261134	0	57	0.0	-68.52	418.83	4.32	-64.20
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261164	0	51	0.0	-74.16	397.50	3.22	-70.94
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261164	1	51	0.0	-74.11	397.49	3.24	-70.87
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261187	0	52	0.0	-70.32	407.43	3.94	-66.38
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261187	1	52	0.0	-69.99	400.05	3.64	-66.35
CC1CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300025261188	0	52	0.0	-72.90	407.52	4.01	-68.89
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300025261188	1	52	0.0	-71.85	402.73	3.64	-68.21
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261190	0	55	0.0	-73.13	426.89	4.48	-68.65
C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261190	1	55	0.0	-72.17	422.81	4.19	-67.98
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261191	0	57	0.0	-72.47	427.42	4.53	-67.94
C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261191	1	57	0.0	-73.22	431.50	4.82	-68.40
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300025261198	0	51	0.0	-71.36	390.96	3.22	-68.14
C[C@@H]1CN(C(=O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261270	0	45	0.0	-73.40	357.40	1.98	-71.42
C[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261273	0	55	0.0	-72.15	408.37	4.01	-68.14
C[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261276	0	47	0.0	-70.70	392.64	5.79	-64.91
C[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261280	0	52	0.0	-66.19	392.10	3.53	-62.66
C[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261280	1	52	0.0	-66.35	392.13	3.61	-62.74
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261285	0	53	0.0	-70.61	406.45	4.00	-66.61
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261285	1	53	0.0	-68.88	410.46	4.12	-64.76
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+]1CCC1	REAL300025261297	1	49	0.0	-70.40	380.15	2.81	-67.59
CCC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)C[NH+](C)C	REAL300025261301	0	57	0.0	-78.66	436.35	4.95	-73.71
C[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261306	0	54	0.0	-74.02	393.82	2.98	-71.04
C[C@@H]1CN(C(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261317	1	53	0.0	-76.53	410.22	0.50	-76.03
C[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261318	0	49	0.0	-70.33	386.79	3.37	-66.96
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261318	1	49	0.0	-70.53	390.69	3.65	-66.88
C[C@@H]1CN(C(=O)CC2C[NH+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261332	0	49	0.0	-73.38	388.69	2.85	-70.53
C[C@@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261342	0	55	0.0	-68.26	418.35	3.64	-64.62
C[C@@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261342	1	55	0.0	-70.47	399.99	3.34	-67.13
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300025261352	0	48	0.0	-70.26	373.00	2.32	-67.94
C[C@@H]1CN(C(=O)CN=[N+]=[N-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300025261359	0	39	0.0	-23.98	338.37	-2.12	-26.10
C[C@@H]1CN(C(=O)CN2C=CSC2=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261401	0	45	0.0	-68.86	388.52	2.44	-66.42
C[C@@H]1CN(C(=O)CC[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261406	0	52	0.0	-73.91	407.84	0.01	-73.90
C[C@@H]1CN(C(=O)CC[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261406	1	52	0.0	-74.36	411.83	0.31	-74.05
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300025261407	0	48	0.0	-70.26	373.00	2.32	-67.94
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261410	0	52	0.0	-68.80	401.91	3.83	-64.97
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261410	1	52	0.0	-70.01	386.69	3.09	-66.92
C[C@@H]1CN(C(=O)C[NH+]2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261455	1	46	0.0	-73.75	371.48	2.68	-71.07
C[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261469	0	50	0.0	-75.38	394.28	3.59	-71.79
C[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261469	1	50	0.0	-75.95	395.24	3.52	-72.43
C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261489	0	52	0.0	-72.01	417.27	3.41	-68.60
C=CCC(C)(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300025261500	0	55	0.0	-64.72	402.28	3.41	-61.31
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261517	0	53	0.0	-69.68	400.97	-0.77	-70.45
CC1CN(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300025261534	0	49	0.0	-72.81	388.69	3.06	-69.75
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300025261534	1	49	0.0	-72.81	388.69	3.06	-69.75
C[C@@H]1CN(C(=O)CN(C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261551	0	49	0.0	-74.39	389.44	-0.32	-74.71
C[C@@H]1CN(C(=O)C[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261551	1	49	0.0	-73.58	389.20	-0.30	-73.88
C[C@@H]1CN(C(=O)C[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261551	1	49	0.0	-73.58	389.20	-0.30	-73.88
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300025261570	0	55	0.0	-70.99	418.10	4.11	-66.88
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)C1	REAL300025261570	1	55	0.0	-70.99	418.10	4.11	-66.88
CC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)C[NH+](C)C	REAL300025261572	0	54	0.0	-74.64	418.59	4.33	-70.31
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261575	0	48	0.0	-73.45	379.10	2.93	-70.52
CC[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)C1CC1	REAL300025261599	0	52	0.0	-71.01	398.86	3.86	-67.15
CC[NH+](CC)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261607	0	54	0.0	-73.17	414.98	3.94	-69.23
C[C@@H]1CN(C(=O)CN2CC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261621	0	52	0.0	-73.90	412.03	3.87	-70.03
C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261621	1	52	0.0	-73.90	412.03	3.87	-70.03
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261637	0	53	0.0	-73.13	413.59	0.37	-72.76
C[C@@H]1CN(C(=O)C=CC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261640	0	49	0.0	-76.69	397.59	3.53	-73.16
COCCN(C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261653	0	52	0.0	-73.44	411.54	2.11	-71.33
COCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261653	1	52	0.0	-74.60	411.69	2.09	-72.51
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261653	1	52	0.0	-74.60	411.69	2.09	-72.51
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261670	0	55	0.0	-74.08	392.49	3.62	-70.46
CC(CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300025261672	0	54	0.0	-75.75	410.61	3.78	-71.97
CCN1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261678	0	49	0.0	-71.64	388.10	2.88	-68.76
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261678	1	49	0.0	-70.64	384.40	2.92	-67.72
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261678	1	49	0.0	-70.64	384.40	2.92	-67.72
C[C@@H]1CN(C(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261688	0	53	0.0	-72.27	415.48	0.76	-71.51
C[C@@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261704	0	55	0.0	-71.02	405.71	3.49	-67.53
C=CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300025261720	0	52	0.0	-69.30	402.85	3.63	-65.67
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261727	0	55	0.0	-68.70	413.41	3.64	-65.06
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261727	1	55	0.0	-68.70	413.41	3.64	-65.06
C[C@@H]1CN(C(=O)CCCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261729	0	57	0.0	-72.89	444.26	4.92	-67.97
CCCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1)[NH+](C)C	REAL300025261746	0	54	0.0	-70.21	406.71	3.66	-66.55
C[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261749	0	51	0.0	-71.73	382.92	2.72	-69.01
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261772	0	52	0.0	-71.20	393.98	3.47	-67.73
C[C@@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261791	0	53	0.0	-69.53	416.54	4.33	-65.20
C[C@@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261791	1	53	0.0	-69.53	416.54	4.33	-65.20
C[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261821	0	53	0.0	-76.09	422.55	4.68	-71.41
C[C@@H]1CN(C(=O)CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261848	0	52	0.0	-73.79	404.70	3.66	-70.13
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261873	0	50	0.0	-71.14	384.33	3.09	-68.05
C[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261878	0	53	0.0	-69.64	401.74	3.88	-65.76
C[C@@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261878	1	53	0.0	-69.64	401.74	3.88	-65.76
C[C@@H]1CN(C(=O)CN2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261913	0	51	0.0	-69.54	400.32	4.12	-65.42
C[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261913	1	51	0.0	-71.64	400.74	4.25	-67.39
C[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261913	1	51	0.0	-71.64	400.74	4.25	-67.39
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261943	0	51	0.0	-73.21	393.42	3.05	-70.16
C[C@@H]1CN(C(=O)CC2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261982	0	55	0.0	-74.85	416.60	4.20	-70.65
C[C@@H]1CN(C(=O)CC2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261982	1	55	0.0	-74.85	416.60	4.20	-70.65
CC1CCN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261993	0	49	0.0	-70.46	383.17	2.76	-67.70
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261993	1	49	0.0	-72.54	392.78	3.33	-69.21
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025261993	1	49	0.0	-72.54	392.78	3.33	-69.21
C[C@@H]1CN(C(=O)CC(O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261995	0	52	0.0	-77.79	413.89	1.34	-76.45
CC1CN(C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)O1	REAL300025262012	0	53	0.0	-82.30	408.17	2.82	-79.48
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)O1	REAL300025262012	1	53	0.0	-73.67	404.50	2.78	-70.89
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)O1	REAL300025262012	1	53	0.0	-73.67	404.50	2.78	-70.89
C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025262050	0	52	0.0	-73.19	406.41	3.71	-69.48
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)C1	REAL300025262054	0	54	0.0	-73.98	420.21	3.98	-70.00
C[C@@H]1CN(C(=O)CN2CCN(C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025262069	0	54	0.0	-71.80	416.41	1.46	-70.34
C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025262069	1	54	0.0	-71.80	416.41	1.46	-70.34
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300025262239	0	49	0.0	-71.66	380.02	2.78	-68.88
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C	REAL300025262239	1	49	0.0	-70.32	379.91	2.80	-67.52
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300025262412	1	53	0.0	-76.80	412.67	2.06	-74.74
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300025262438	0	52	0.0	-74.78	407.78	3.93	-70.85
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300025262438	1	52	0.0	-74.26	403.94	3.61	-70.65
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025262444	0	51	0.0	-69.03	389.73	3.20	-65.83
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCC[NH+](C)C	REAL300025262474	0	54	0.0	-73.27	422.76	4.18	-69.09
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262486	0	54	0.0	-75.30	422.99	4.27	-71.03
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262486	1	54	0.0	-75.23	422.99	4.29	-70.94
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262488	0	51	0.0	-73.01	396.62	3.38	-69.63
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262488	1	51	0.0	-73.24	400.68	3.66	-69.58
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300025262498	0	53	0.0	-73.59	392.16	3.02	-70.57
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300025262498	1	53	0.0	-72.10	391.07	2.84	-69.26
CC1CC[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC1	REAL300025262521	0	55	0.0	-72.91	420.36	4.47	-68.44
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300025262549	0	52	0.0	-69.99	405.43	3.56	-66.43
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262563	0	51	0.0	-74.51	401.49	3.54	-70.97
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262563	1	51	0.0	-74.46	401.50	3.54	-70.92
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300025262574	0	53	0.0	-77.16	393.50	3.47	-73.69
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025262604	0	52	0.0	-75.47	398.07	3.45	-72.02
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](CC)CC	REAL300025262681	0	57	0.0	-65.68	423.76	4.47	-61.21
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262689	0	52	0.0	-70.13	405.86	4.02	-66.11
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262689	1	52	0.0	-69.88	402.55	3.73	-66.15
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262715	0	55	0.0	-67.11	412.06	3.88	-63.23
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262715	1	55	0.0	-67.76	408.01	4.35	-63.41
CC1CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025262729	0	52	0.0	-72.40	407.52	3.97	-68.43
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025262729	1	52	0.0	-72.51	406.66	4.01	-68.50
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025262731	0	55	0.0	-72.02	422.39	4.23	-67.79
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300025262731	1	55	0.0	-72.28	422.64	4.20	-68.08
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300025262732	0	57	0.0	-72.40	427.73	4.52	-67.88
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300025262732	1	57	0.0	-73.12	429.28	4.65	-68.47
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025262738	0	51	0.0	-68.14	381.80	2.78	-65.36
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262810	1	47	0.0	-69.07	390.84	3.85	-65.22
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025262848	1	53	0.0	-73.95	404.82	3.00	-70.95
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025262848	1	53	0.0	-73.38	400.69	2.52	-70.86
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262862	1	47	0.0	-70.91	387.20	4.32	-66.59
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300025262866	0	52	0.0	-76.05	396.58	3.20	-72.85
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300025262866	1	52	0.0	-73.41	398.90	3.77	-69.64
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300025262868	0	55	0.0	-73.36	415.85	3.82	-69.54
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300025262868	1	55	0.0	-70.39	415.36	4.01	-66.38
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025262872	0	55	0.0	-67.93	414.37	3.84	-64.09
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300025262874	0	55	0.0	-72.31	427.23	4.57	-67.74
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300025262877	0	55	0.0	-73.38	421.44	4.48	-68.90
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300025262943	0	52	0.0	-70.95	403.52	3.94	-67.01
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300025262943	1	52	0.0	-70.69	403.61	3.95	-66.74
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025262965	0	52	0.0	-75.47	398.07	3.45	-72.02
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300025262982	0	49	0.0	-69.02	380.84	3.00	-66.02
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300025262982	1	49	0.0	-71.04	375.93	2.50	-68.54
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1CCC[N@@H+]1C	REAL300025263000	0	55	0.0	-74.94	424.78	4.51	-70.43
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1CCC[N@H+]1C	REAL300025263000	1	55	0.0	-71.57	418.76	4.04	-67.53
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300025263090	0	52	0.0	-71.89	400.61	3.28	-68.61
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300025263090	1	52	0.0	-72.01	399.81	3.25	-68.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025263129	0	55	0.0	-67.66	398.67	3.08	-64.58
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300025263129	1	55	0.0	-68.30	401.73	2.68	-65.62
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025263142	0	48	0.0	-70.98	377.11	2.61	-68.37
C=CCC(C)(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025263154	0	55	0.0	-65.96	405.46	3.68	-62.28
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCC1	REAL300025263166	0	52	0.0	-73.31	405.77	3.77	-69.54
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CCO	REAL300025263174	1	49	0.0	-73.28	385.47	-0.60	-73.88
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CCO	REAL300025263174	1	49	0.0	-73.04	385.50	-0.62	-73.66
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300025263215	0	53	0.0	-70.64	416.59	4.37	-66.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300025263215	1	53	0.0	-69.90	420.59	4.62	-65.28
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025263254	1	49	0.0	-73.66	391.57	3.38	-70.28
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025263258	0	55	0.0	-72.22	421.63	4.38	-67.84
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025263258	1	55	0.0	-65.80	409.72	4.19	-61.61
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300025263268	0	53	0.0	-69.78	408.51	3.86	-65.92
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300025263268	1	53	0.0	-66.66	413.90	4.41	-62.25
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300025263285	0	53	0.0	-73.89	417.33	4.34	-69.55
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025263313	0	48	0.0	-72.62	375.12	2.64	-69.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC2C=CC1C2	REAL300025263339	0	51	0.0	-71.25	400.65	4.23	-67.02
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025263339	1	51	0.0	-69.35	400.52	4.12	-65.23
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300025263339	1	51	0.0	-69.35	400.52	4.12	-65.23
COCCN(C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025263404	0	52	0.0	-72.75	407.67	1.82	-70.93
COCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025263404	1	52	0.0	-73.46	407.72	1.80	-71.66
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025263404	1	52	0.0	-73.46	407.72	1.80	-71.66
CC(CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025263407	0	54	0.0	-75.57	414.73	4.06	-71.51
CC[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C1CC1	REAL300025263419	0	52	0.0	-69.79	403.31	3.96	-65.83
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300025263447	0	53	0.0	-70.16	405.55	4.18	-65.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300025263447	1	53	0.0	-70.16	405.55	4.18	-65.98
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025263459	0	51	0.0	-72.81	392.05	3.02	-69.79
CCN1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025263482	0	49	0.0	-71.31	388.58	2.93	-68.38
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025263482	1	49	0.0	-70.07	384.34	2.90	-67.17
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025263482	1	49	0.0	-70.07	384.34	2.90	-67.17
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025263487	0	57	0.0	-69.95	422.25	2.55	-67.40
CCCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025263515	0	54	0.0	-70.97	413.47	4.07	-66.90
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025263530	0	54	0.0	-78.25	421.35	4.06	-74.19
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025263574	0	55	0.0	-70.21	415.71	3.69	-66.52
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300025263574	1	55	0.0	-70.21	415.71	3.69	-66.52
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCCC[NH+](C)C	REAL300025263576	0	57	0.0	-72.24	444.26	4.96	-67.28
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CCN(C)CC1	REAL300025263583	0	54	0.0	-71.26	416.41	1.48	-69.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC[NH+](C)CC1	REAL300025263583	1	54	0.0	-71.26	416.41	1.48	-69.78
CC1CN(C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)O1	REAL300025263619	0	53	0.0	-74.19	408.58	3.06	-71.13
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)O1	REAL300025263619	1	53	0.0	-80.11	408.71	3.22	-76.89
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)O1	REAL300025263619	1	53	0.0	-80.11	408.71	3.22	-76.89
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300025263645	0	50	0.0	-72.87	391.94	3.78	-69.09
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300025263658	0	52	0.0	-70.12	386.88	3.00	-67.12
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300025263704	0	50	0.0	-75.57	398.38	3.85	-71.72
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300025263704	1	50	0.0	-75.57	398.38	3.85	-71.72
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300025263706	0	48	0.0	-70.81	393.23	1.25	-69.56
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025263757	0	49	0.0	-68.08	380.98	2.83	-65.25
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300025263757	1	49	0.0	-68.08	380.98	2.83	-65.25
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025263824	0	52	0.0	-73.38	410.33	3.98	-69.40
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300025263831	0	53	0.0	-66.57	403.65	4.03	-62.54
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC=CC[N@H+]1C	REAL300025263831	1	53	0.0	-66.57	403.65	4.03	-62.54
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)COCC[NH+](C)C	REAL300025263858	0	52	0.0	-71.50	413.27	2.94	-68.56
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300025263875	0	45	0.0	-68.82	388.51	2.43	-66.39
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCCCC1	REAL300025263918	0	52	0.0	-72.68	403.12	4.14	-68.54
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300025263919	0	52	0.0	-72.11	398.22	3.40	-68.71
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300025263919	1	52	0.0	-66.25	391.24	3.56	-62.69
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300025263920	0	55	0.0	-72.39	412.36	4.32	-68.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300025263923	0	47	0.0	-70.57	392.63	5.78	-64.79
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC(O)CC1	REAL300025263939	0	53	0.0	-76.31	410.20	0.49	-75.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CC1	REAL300025263940	1	49	0.0	-69.82	386.72	3.38	-66.44
CCOCC(N=[N+]=[N-])C(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)C[C@H]1C	REAL300025263954	0	49	0.0	-22.00	406.25	-1.70	-23.70
CC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C[NH+](C)C	REAL300025263957	0	54	0.0	-73.45	414.28	4.02	-69.43
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCCN1C	REAL300025263974	0	53	0.0	-69.05	400.53	1.71	-67.34
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCC[N@@H+]1C	REAL300025263974	1	53	0.0	-78.78	411.97	2.14	-76.64
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCC[N@H+]1C	REAL300025263974	1	53	0.0	-69.05	400.53	1.71	-67.34
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CCC(C)(O)C1	REAL300025264021	1	53	0.0	-73.42	417.89	0.68	-72.74
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1C[NH+](C)C1	REAL300025264042	0	49	0.0	-72.86	388.70	2.86	-70.00
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+](C)C	REAL300025264051	0	45	0.0	-73.71	361.45	2.25	-71.46
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[N@H+](C)CCO	REAL300025264064	0	52	0.0	-74.10	411.84	0.33	-73.77
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[N@@H+](C)CCO	REAL300025264064	1	52	0.0	-73.91	411.80	0.32	-73.59
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025264065	0	48	0.0	-70.98	377.11	2.61	-68.37
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CCCC[N@@H+]1C	REAL300025264075	0	55	0.0	-66.12	413.14	4.39	-61.73
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CCCC[N@H+]1C	REAL300025264075	1	55	0.0	-74.22	416.63	4.20	-70.02
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CC(C)C1	REAL300025264084	0	52	0.0	-70.96	408.31	3.76	-67.20
CC1CCN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025264086	0	49	0.0	-71.41	388.69	3.05	-68.36
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025264086	1	49	0.0	-71.61	388.68	3.05	-68.56
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025264086	1	49	0.0	-71.41	388.69	3.05	-68.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+](C)C	REAL300025264090	0	49	0.0	-75.25	392.39	3.21	-72.04
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300025264094	1	52	0.0	-73.32	412.00	3.88	-69.44
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CCCC1CO	REAL300025264125	1	53	0.0	-72.13	411.02	0.32	-71.81
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025264127	0	51	0.0	-71.18	392.71	3.34	-67.84
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC1	REAL300025264136	1	46	0.0	-73.07	367.71	2.45	-70.62
CC[NH+](CC)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025264158	0	54	0.0	-72.64	414.92	3.95	-68.69
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CCC1	REAL300025264196	0	49	0.0	-69.82	376.29	2.50	-67.32
CCC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C[NH+](C)C	REAL300025264201	0	57	0.0	-68.67	432.45	4.61	-64.06
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025264226	0	52	0.0	-68.34	397.86	3.56	-64.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300025264226	1	52	0.0	-70.00	386.77	2.99	-67.01
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC(O)C[NH+](C)C	REAL300025264242	0	52	0.0	-76.78	409.92	0.88	-75.90
C=CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025264262	0	52	0.0	-69.06	402.84	3.73	-65.33
C[C@@H]1CN(C(=O)CSC(N)=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025264288	0	43	0.0	-74.56	369.94	-0.76	-75.32
C[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025264311	0	55	0.0	-72.43	427.52	4.23	-68.20
C[C@@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025264312	0	53	0.0	-76.39	412.59	4.37	-72.02
C[C@@H]1CN(C(=O)CC2CC=CC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025264312	1	53	0.0	-66.37	403.60	4.02	-62.35
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025264398	0	49	0.0	-69.30	383.23	3.04	-66.26
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@@H+]1C	REAL300025264420	0	52	0.0	-73.06	400.80	3.36	-69.70
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)CC[N@H+]1C	REAL300025264420	1	52	0.0	-73.06	400.80	3.36	-69.70
C[C@@H]1CN(C(=O)CC2COCCN2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025264448	0	53	0.0	-79.24	411.94	2.12	-77.12
C[C@@H]1CN(C(=O)CC2COCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025264448	1	53	0.0	-78.46	407.91	1.83	-76.63
C[C@@H]1CN(C(=O)CC2COCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025264448	1	53	0.0	-78.46	407.91	1.83	-76.63
O=C(CN1CCC1)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025264627	0	53	0.0	-71.14	400.84	4.62	-66.52
O=C(C[NH+]1CCC1)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025264627	1	53	0.0	-71.14	400.84	4.62	-66.52
CC[N@H+](C)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025264644	0	55	0.0	-70.83	408.26	4.82	-66.01
CC[N@H+](C)CC(=O)N1CCC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025264809	0	55	0.0	-79.20	406.87	4.86	-74.34
[N-]=[N+]=NCC(=O)N1CCC2CCCC(C1)N2C(=O)CSC1=NC(=O)NN1	REAL300025264847	0	46	0.0	-22.55	367.67	-0.24	-22.79
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)CN1CCC1)CC2	REAL300025264888	0	53	0.0	-76.20	403.65	4.73	-71.47
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C[NH+]1CCC1)CC2	REAL300025264888	1	53	0.0	-76.20	403.65	4.73	-71.47
C[N@@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265031	0	53	0.0	-72.47	393.79	4.14	-68.33
C[N@H+]1CCCC1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265031	1	53	0.0	-72.47	393.79	4.14	-68.33
CCC(C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025265134	0	55	0.0	-71.24	403.05	4.56	-66.68
CCC[N@H+](C)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265139	0	55	0.0	-74.63	414.53	5.05	-69.58
CCC[N@@H+](C)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265139	1	55	0.0	-74.63	414.53	5.05	-69.58
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265147	0	53	0.0	-69.88	394.15	4.29	-65.59
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265147	1	53	0.0	-69.88	394.15	4.29	-65.59
CC[NH+](CC)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265152	0	55	0.0	-72.01	406.88	4.68	-67.33
CC[N@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265210	0	55	0.0	-75.67	415.42	4.89	-70.78
CC[N@@H+](C)CCC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265210	1	55	0.0	-75.60	415.42	4.90	-70.70
CC[C@@H](C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025265213	0	55	0.0	-71.62	405.74	4.65	-66.97
C[NH+](C)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265231	0	49	0.0	-74.98	375.65	3.60	-71.38
CC(C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025265235	1	53	0.0	-70.47	393.11	4.15	-66.32
C[N@H+](CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025265242	0	53	0.0	-70.78	405.08	5.00	-65.78
C[N@@H+](CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025265242	1	53	0.0	-71.96	404.73	5.04	-66.92
C[NH+]1CC(CC(=O)N2C3CCCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025265248	0	53	0.0	-74.81	406.59	4.48	-70.33
C[C@@H](C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025265255	0	52	0.0	-71.62	391.28	3.99	-67.63
[N-]=[N+]=NCC(=O)N1C2CCCC1CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025265258	0	43	0.0	-23.79	352.27	-0.79	-24.58
C[C@@H](C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025265277	0	52	0.0	-71.62	391.28	3.99	-67.63
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C[NH+]1CCC1	REAL300025265295	1	50	0.0	-73.99	385.61	4.12	-69.87
C[C@H](C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025265306	0	52	0.0	-72.03	391.74	3.97	-68.06
CC1C[NH+](CC(=O)N2C3CCCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025265313	1	53	0.0	-74.07	407.10	4.68	-69.39
C[N@H+](CCO)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265324	1	53	0.0	-75.00	403.46	1.05	-73.95
C[N@@H+](CCO)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265324	1	53	0.0	-74.09	403.45	1.06	-73.03
CC[N@H+](C)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265331	0	52	0.0	-73.68	393.32	4.29	-69.39
CC[N@@H+](C)CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265331	1	52	0.0	-74.31	393.03	4.30	-70.01
C[NH+](C)CC=CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265349	0	53	0.0	-77.13	411.61	4.86	-72.27
CC[N@@H+]1CCC1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265355	1	53	0.0	-72.81	406.43	4.60	-68.21
CC[N@H+]1CCC1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265355	1	53	0.0	-70.63	398.28	4.29	-66.34
C[NH+](C)C(C)(C)C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265369	0	55	0.0	-71.29	395.00	4.06	-67.23
C[NH+](C)C1(C(=O)N2C3CCCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025265392	0	53	0.0	-72.86	391.28	3.82	-69.04
CC(C[NH+](C)C)C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265414	0	55	0.0	-70.65	411.45	4.69	-65.96
CC1CC[N@@H+]1CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265425	1	53	0.0	-73.02	406.63	4.70	-68.32
CC1CC[N@H+]1CC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025265425	1	53	0.0	-71.95	401.07	4.43	-67.52
C[N@@H+]1CCCC1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265540	0	53	0.0	-72.91	389.53	4.12	-68.79
C[N@H+]1CCCC1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265540	1	53	0.0	-72.00	393.66	4.18	-67.82
CCC(C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025265614	0	55	0.0	-70.58	392.06	4.19	-66.39
CCC[N@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265618	0	55	0.0	-76.00	414.91	5.01	-70.99
CCC[N@@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265618	1	55	0.0	-75.82	414.61	5.03	-70.79
CC[N@H+](C)CCC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265635	0	55	0.0	-76.90	415.42	4.89	-72.01
CC[N@@H+](C)CCC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265635	1	55	0.0	-76.88	415.43	4.89	-71.99
CC[C@@H](C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025265676	0	55	0.0	-72.58	404.98	4.58	-68.00
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265722	0	53	0.0	-72.08	393.52	4.14	-67.94
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265722	1	53	0.0	-72.37	400.04	4.46	-67.91
C[C@@H](C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025265777	0	52	0.0	-73.47	388.39	3.84	-69.63
C[N@H+](CCO)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265787	1	53	0.0	-75.82	403.46	1.04	-74.78
C[N@@H+](CCO)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265787	1	53	0.0	-75.53	403.56	1.02	-74.51
CC1C[NH+](CC(=O)N2CC3CCCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025265803	1	53	0.0	-75.80	405.65	4.72	-71.08
CC[N@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265821	0	52	0.0	-75.58	393.41	4.26	-71.32
CC[N@@H+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265821	1	52	0.0	-75.42	393.11	4.29	-71.13
CC(C[NH+](C)C)C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265854	0	55	0.0	-75.81	411.29	4.68	-71.13
C[NH+](C)C1(C(=O)N2CC3CCCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025265857	0	53	0.0	-73.79	388.44	3.91	-69.88
C[C@H](C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025265861	0	52	0.0	-71.67	384.31	3.71	-67.96
CC[N@@H+]1CCC1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265864	1	53	0.0	-72.47	395.86	4.20	-68.27
CC[N@H+]1CCC1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265864	1	53	0.0	-73.20	406.61	4.60	-68.60
C[NH+](C)C(C)(C)C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265873	0	55	0.0	-71.61	390.05	4.06	-67.55
[N-]=[N+]=NCC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NC(=O)NN1	REAL300025265922	0	43	0.0	-23.64	352.30	-0.79	-24.43
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265935	0	53	0.0	-70.31	397.13	4.37	-65.94
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025265935	1	53	0.0	-71.94	393.80	4.17	-67.77
C[N@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025265972	0	53	0.0	-72.43	404.97	4.99	-67.44
C[N@@H+](CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025265972	1	53	0.0	-72.96	404.79	5.03	-67.93
C[NH+]1CC(CC(=O)N2CC3CCCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025266000	0	53	0.0	-75.54	406.61	4.51	-71.03
C[NH+](C)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025266003	0	49	0.0	-76.21	375.38	3.62	-72.59
C[C@@H](C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025266006	0	52	0.0	-73.47	388.39	3.84	-69.63
CC1CC[N@@H+]1CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025266015	1	53	0.0	-73.17	401.12	4.45	-68.72
CC1CC[N@H+]1CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025266015	1	53	0.0	-73.05	401.65	4.49	-68.56
C[NH+](C)CC=CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025266016	0	53	0.0	-77.73	410.28	4.86	-72.87
CC[NH+](CC)CC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025266022	0	55	0.0	-73.67	411.37	4.97	-68.70
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C[NH+]1CCC1)C2	REAL300025266023	1	50	0.0	-75.19	385.60	4.08	-71.11
CC(C(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025266046	1	53	0.0	-72.25	393.68	4.31	-67.94
NC(=[NH2+])SCC(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025266086	0	47	0.0	-75.40	383.58	0.63	-74.77
C[N@@H+]1CCC[C@H]1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025266118	0	53	0.0	-70.17	397.33	4.45	-65.72
C[N@H+]1CCC[C@H]1C(=O)N1C2CCCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025266118	1	53	0.0	-72.36	393.75	4.15	-68.21
C[NH+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(F)C1	REAL300025266351	0	48	0.0	-64.71	381.81	3.05	-61.66
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(F)C1)[NH+](C)C	REAL300025266362	0	51	0.0	-66.17	392.29	3.20	-62.97
CC1(F)CN(C(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025266365	0	42	0.0	-30.32	358.72	-1.32	-31.64
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(F)C1)[NH+](C)C	REAL300025266379	0	51	0.0	-66.17	392.29	3.20	-62.97
C[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(F)C1)[NH+](C)C	REAL300025266397	0	51	0.0	-62.27	396.72	3.41	-58.86
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(F)C1	REAL300025266413	0	51	0.0	-63.59	399.55	3.73	-59.86
CC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(F)C1	REAL300025266413	1	51	0.0	-63.82	399.50	3.72	-60.10
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(F)C1)[NH+](C)C	REAL300025266701	0	51	0.0	-66.17	392.29	3.20	-62.97
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(F)C1	REAL300025266729	0	51	0.0	-63.59	399.55	3.73	-59.86
CC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(F)C1	REAL300025266729	1	51	0.0	-63.82	399.50	3.72	-60.10
C[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(F)C1)[NH+](C)C	REAL300025266754	0	51	0.0	-62.27	396.72	3.41	-58.86
CC1(F)CN(C(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025266792	0	42	0.0	-30.32	358.72	-1.32	-31.64
C[NH+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(F)C1	REAL300025266842	0	48	0.0	-64.71	381.81	3.05	-61.66
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(F)C1)[NH+](C)C	REAL300025266845	0	51	0.0	-66.17	392.29	3.20	-62.97
C[NH+](C)CC(=O)N1CCCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025266958	0	55	0.0	-74.52	414.32	4.25	-70.27
[N-]=[N+]=NCC(=O)N1CCCC2(CCN(C(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025266963	0	49	0.0	-24.82	391.28	-0.14	-24.96
[N-]=[N+]=NCC(=O)N1CCC2(CCCN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025267027	0	49	0.0	-21.89	390.05	-0.20	-22.09
C[NH+](C)CC(=O)N1CCC2(CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025267034	0	55	0.0	-73.38	413.06	4.22	-69.16
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCC[N@@H+]1C	REAL300025267137	0	54	0.0	-67.67	424.92	0.60	-67.07
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCC[N@H+]1C	REAL300025267137	1	54	0.0	-66.81	424.26	0.49	-66.32
CCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C)[NH+](C)C	REAL300025267227	0	56	0.0	-68.49	428.96	0.55	-67.94
CCC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C	REAL300025267232	0	56	0.0	-70.56	438.06	1.08	-69.48
CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C	REAL300025267232	1	56	0.0	-70.59	438.15	1.07	-69.52
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300025267239	0	54	0.0	-67.34	424.71	0.72	-66.62
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300025267239	1	54	0.0	-68.63	418.85	0.22	-68.41
CC[NH+](CC)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C	REAL300025267244	0	56	0.0	-68.84	434.20	0.87	-67.97
CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C	REAL300025267297	0	56	0.0	-72.02	438.74	0.77	-71.25
CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C	REAL300025267297	1	56	0.0	-72.02	438.74	0.77	-71.25
CC[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C)[NH+](C)C	REAL300025267300	0	56	0.0	-67.08	429.45	0.68	-66.40
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[NH+](C)C	REAL300025267317	0	50	0.0	-70.89	398.81	-0.34	-71.23
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C)[NH+]1CCC1	REAL300025267321	1	54	0.0	-67.74	426.76	0.60	-67.14
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@H+](C)C1CC1	REAL300025267327	0	54	0.0	-68.29	428.05	0.96	-67.33
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@@H+](C)C1CC1	REAL300025267327	1	54	0.0	-67.73	428.08	1.07	-66.66
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)CC1C[NH+](C)C1	REAL300025267332	0	54	0.0	-71.24	430.25	0.49	-70.75
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C)[NH+](C)C	REAL300025267339	0	53	0.0	-68.47	416.81	0.03	-68.44
CN1CCN(C(=O)CSC2=NC(=O)NN2)CC1CNC(=O)CN=[N+]=[N-]	REAL300025267342	0	44	0.0	-22.86	375.78	-4.74	-27.60
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C)[NH+](C)C	REAL300025267359	0	53	0.0	-68.47	416.81	0.03	-68.44
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[NH+]1CCC1	REAL300025267371	1	51	0.0	-70.73	408.91	0.09	-70.64
C[C@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C)[NH+](C)C	REAL300025267379	0	53	0.0	-69.35	416.85	-0.05	-69.40
CC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN2C)C1	REAL300025267385	1	54	0.0	-70.76	428.89	0.82	-69.94
CC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C	REAL300025267400	0	53	0.0	-70.14	416.65	0.32	-69.82
CC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C	REAL300025267400	1	53	0.0	-70.08	416.56	0.34	-69.74
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C=CC[NH+](C)C	REAL300025267415	0	54	0.0	-74.45	436.04	0.92	-73.53
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C	REAL300025267419	1	54	0.0	-67.87	423.46	0.27	-67.60
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C	REAL300025267419	1	54	0.0	-69.36	430.44	0.68	-68.68
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C(C)(C)[NH+](C)C	REAL300025267431	0	56	0.0	-73.54	425.58	0.82	-72.72
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1([NH+](C)C)CC1	REAL300025267450	0	54	0.0	-74.14	417.87	1.14	-73.00
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C	REAL300025267467	0	56	0.0	-67.16	436.51	0.93	-66.23
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C	REAL300025267474	1	54	0.0	-68.46	424.61	0.48	-67.98
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C	REAL300025267474	1	54	0.0	-68.32	425.04	0.43	-67.89
CN1CCN(C(=O)C2CCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267577	0	54	0.0	-72.00	416.92	-0.03	-72.03
CN1CCN(C(=O)C2CCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267577	1	54	0.0	-70.12	420.27	0.34	-69.78
CCC(C(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025267643	0	56	0.0	-69.32	427.11	0.43	-68.89
CCC[N@H+](C)CC(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025267647	0	56	0.0	-73.54	437.87	0.86	-72.68
CCC[N@@H+](C)CC(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025267647	1	56	0.0	-73.51	437.84	0.87	-72.64
CC[N@H+](C)CCC(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025267662	0	56	0.0	-75.32	438.94	0.87	-74.45
CC[N@@H+](C)CCC(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025267662	1	56	0.0	-75.37	439.01	0.85	-74.52
CC[C@@H](C(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025267701	0	56	0.0	-71.00	428.67	0.64	-70.36
CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267739	0	54	0.0	-70.12	420.28	0.36	-69.76
CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267739	1	54	0.0	-73.01	417.76	0.06	-72.95
C[C@@H](C(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025267790	0	53	0.0	-71.42	414.22	-0.25	-71.67
CC1C[NH+](CC(=O)N2CCN(C)C(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025267811	1	54	0.0	-73.79	428.73	0.70	-73.09
CC[N@H+](C)CC(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025267829	0	53	0.0	-73.16	416.37	0.12	-73.04
CC[N@@H+](C)CC(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025267829	1	53	0.0	-73.08	416.34	0.12	-72.96
CC(C[NH+](C)C)C(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025267854	0	56	0.0	-69.71	436.94	0.58	-69.13
CN1CCN(C(=O)C2([NH+](C)C)CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267856	0	54	0.0	-75.37	417.99	0.13	-75.24
C[C@H](C(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025267860	0	53	0.0	-71.24	415.72	-0.07	-71.31
CC[N@@H+]1CCC1C(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025267862	1	54	0.0	-72.87	429.82	0.38	-72.49
CC[N@H+]1CCC1C(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025267862	1	54	0.0	-72.47	429.28	0.53	-71.94
CN1CCN(C(=O)C(C)(C)[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267869	0	56	0.0	-73.83	419.99	-0.09	-73.92
CN1CCN(C(=O)CN=[N+]=[N-])CC1CNC(=O)CSC1=NC(=O)NN1	REAL300025267912	0	44	0.0	-23.68	375.78	-4.84	-28.52
CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267923	0	54	0.0	-70.79	417.38	0.17	-70.62
CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267923	1	54	0.0	-70.25	423.42	0.35	-69.90
CN1CCN(C(=O)C[N@H+](C)C2CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267954	0	54	0.0	-70.80	428.22	0.97	-69.83
CN1CCN(C(=O)C[N@@H+](C)C2CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267954	1	54	0.0	-70.12	428.18	0.96	-69.16
CN1CCN(C(=O)CC2C[NH+](C)C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267976	0	54	0.0	-74.88	430.10	0.44	-74.44
CN1CCN(C(=O)C[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267979	0	50	0.0	-73.79	398.81	-0.44	-74.23
C[C@@H](C(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025267982	0	53	0.0	-71.42	414.22	-0.25	-71.67
CC1CC[N@@H+]1CC(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025267989	1	54	0.0	-71.98	430.14	0.67	-71.31
CC1CC[N@H+]1CC(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025267989	1	54	0.0	-72.09	429.94	0.53	-71.56
CN1CCN(C(=O)C=CC[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267990	0	54	0.0	-77.83	433.38	0.68	-77.15
CC[NH+](CC)CC(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025267996	0	56	0.0	-71.55	429.82	0.49	-71.06
CN1CCN(C(=O)C[NH+]2CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267997	1	51	0.0	-73.58	408.92	-0.08	-73.66
CC(C(=O)N1CCN(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025268014	1	54	0.0	-67.20	424.86	0.50	-66.70
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025268070	0	54	0.0	-70.32	418.81	0.22	-70.10
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300025268070	1	54	0.0	-67.43	424.70	0.59	-66.84
C[N@@H+]1CCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268230	0	49	0.0	-69.62	404.40	1.99	-67.63
C[N@H+]1CCCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268230	1	49	0.0	-73.89	398.21	1.44	-72.45
CC1=[NH+]C=CN1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268359	1	47	0.0	-69.44	407.24	2.57	-66.87
CC1=C[NH+]=CN1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268425	1	47	0.0	-73.41	407.86	3.29	-70.12
CCC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025268434	0	51	0.0	-69.16	407.33	1.98	-67.18
CCC[N@H+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268447	0	51	0.0	-73.09	417.06	2.37	-70.72
CCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268447	1	51	0.0	-73.24	416.87	2.36	-70.88
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268458	0	49	0.0	-71.64	398.20	1.47	-70.17
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268458	1	49	0.0	-69.83	402.86	2.03	-67.80
CC[NH+](CC)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268468	0	51	0.0	-71.34	414.01	2.29	-69.05
CC[N@H+](C)CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268564	0	51	0.0	-75.49	417.93	2.18	-73.31
CC[N@@H+](C)CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268564	1	51	0.0	-75.83	418.24	2.14	-73.69
CC[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025268570	0	51	0.0	-70.20	408.74	1.91	-68.29
C[NH+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268599	0	45	0.0	-73.84	378.14	0.93	-72.91
CN1C=C[N+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025268600	0	47	0.0	-71.65	409.35	4.45	-67.20
CC(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025268608	1	49	0.0	-71.20	406.30	2.00	-69.20
C[N@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025268616	0	49	0.0	-69.93	406.92	2.34	-67.59
C[N@@H+](CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025268616	1	49	0.0	-70.12	407.10	2.37	-67.75
C[NH+]1CC(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025268625	0	49	0.0	-75.55	409.28	1.79	-73.76
C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025268634	0	48	0.0	-71.72	395.32	1.40	-70.32
[N-]=[N+]=NCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NC(=O)NN1	REAL300025268640	0	39	0.0	-26.51	354.78	-3.45	-29.96
C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025268665	0	48	0.0	-71.72	395.32	1.40	-70.32
O=C(C[NH+]1CCC1)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268691	1	46	0.0	-73.85	388.42	1.42	-72.43
C[N@@H+]1CCC(=CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025268698	0	50	0.0	-77.91	416.68	2.49	-75.42
C[N@H+]1CCC(=CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025268698	1	50	0.0	-77.76	415.73	2.53	-75.23
C[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025268712	0	48	0.0	-70.72	395.39	1.41	-69.31
CC1C[NH+](CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025268724	1	49	0.0	-74.32	407.75	2.09	-72.23
C[N@H+](CCO)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268735	1	49	0.0	-74.37	405.72	-1.64	-76.01
C[N@@H+](CCO)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268735	1	49	0.0	-73.82	406.16	-1.59	-75.41
CC[N@H+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268747	0	48	0.0	-73.16	395.87	1.59	-71.57
CC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268747	1	48	0.0	-72.95	395.37	1.60	-71.35
C[NH+](C)CC=CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268771	0	49	0.0	-79.31	415.04	2.21	-77.10
CC[N@@H+]1CCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268784	1	49	0.0	-71.89	401.41	1.51	-70.38
CC[N@H+]1CCC1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268784	1	49	0.0	-72.82	409.74	1.97	-70.85
O=C(C[NH+]1CC2CC2C1)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268804	0	50	0.0	-73.61	412.90	2.76	-70.85
C[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268809	0	51	0.0	-76.64	405.26	2.15	-74.49
C[NH+](C)C1(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025268844	0	49	0.0	-56.58	393.28	3.64	-52.94
C[N@@H+]1CC2CC1(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025268853	0	50	0.0	-77.31	409.66	2.13	-75.18
C[N@H+]1CC2CC1(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025268853	1	50	0.0	-56.42	395.69	3.36	-53.06
CC(C[NH+](C)C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268884	0	51	0.0	-75.64	416.14	2.26	-73.38
CC1CC[N@@H+]1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268900	1	49	0.0	-72.01	409.08	2.06	-69.95
CC1CC[N@H+]1CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025268900	1	49	0.0	-71.20	403.87	1.74	-69.46
C[N@@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269065	0	49	0.0	-70.37	397.32	1.32	-69.05
C[N@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269065	1	49	0.0	-74.91	396.22	1.39	-73.52
CCC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025269209	0	51	0.0	-73.77	407.25	1.90	-71.87
CCC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269217	0	51	0.0	-74.39	417.04	2.31	-72.08
CCC[N@@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269217	1	51	0.0	-74.52	417.04	2.31	-72.21
CC[N@H+](C)CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269244	0	51	0.0	-75.34	418.19	2.12	-73.22
CC[N@@H+](C)CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269244	1	51	0.0	-75.95	417.91	2.15	-73.80
CC[C@@H](C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025269295	0	51	0.0	-73.17	409.88	2.01	-71.16
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269324	1	47	0.0	-69.81	407.00	2.51	-67.30
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269337	1	47	0.0	-73.98	407.41	3.24	-70.74
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269365	0	49	0.0	-71.33	395.94	1.38	-69.95
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269365	1	49	0.0	-70.60	398.74	1.74	-68.86
C[C@@H](C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025269444	0	48	0.0	-71.97	392.46	1.20	-70.77
C[N@H+](CCO)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269462	1	49	0.0	-75.65	405.89	-1.68	-77.33
C[N@@H+](CCO)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269462	1	49	0.0	-74.43	405.67	-1.68	-76.11
CC1C[NH+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025269494	1	49	0.0	-74.08	408.20	2.04	-72.04
CC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269517	0	48	0.0	-73.21	395.82	1.53	-71.68
CC[N@@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269517	1	48	0.0	-74.16	395.54	1.57	-72.59
CC(C[NH+](C)C)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269565	0	51	0.0	-61.65	412.56	2.90	-58.75
C[C@H](C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025269575	0	48	0.0	-64.37	389.20	1.93	-62.44
CC[N@@H+]1CCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269578	1	49	0.0	-72.77	409.52	1.88	-70.89
CC[N@H+]1CCC1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269578	1	49	0.0	-73.10	408.72	1.75	-71.35
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269587	0	45	0.0	-70.12	380.72	-0.32	-70.44
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](F)CN1C(=O)C[NH+]1CC2CC2C1	REAL300025269641	0	50	0.0	-74.73	412.35	2.74	-71.99
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025269658	0	50	0.0	-77.57	414.35	2.44	-75.13
C[N@H+]1CCC(=CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025269658	1	50	0.0	-76.98	415.31	2.45	-74.53
[N-]=[N+]=NCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NC(=O)NN1	REAL300025269663	0	39	0.0	-25.99	354.55	-3.51	-29.50
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269673	0	49	0.0	-70.75	401.84	1.77	-68.98
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269673	1	49	0.0	-75.01	396.03	1.39	-73.62
CN1C=C[N+](CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025269725	0	47	0.0	-69.93	409.34	4.41	-65.52
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025269732	0	49	0.0	-70.85	407.54	2.30	-68.55
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025269732	1	49	0.0	-71.20	407.52	2.30	-68.90
C[NH+]1CC(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025269770	0	49	0.0	-75.38	409.52	1.73	-73.65
C[NH+](C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269775	0	45	0.0	-74.73	377.83	0.89	-73.84
C[C@@H](C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025269781	0	48	0.0	-71.97	392.46	1.20	-70.77
CC1CC[N@@H+]1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269790	1	49	0.0	-71.70	409.46	1.99	-69.71
CC1CC[N@H+]1CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269790	1	49	0.0	-71.38	403.84	1.67	-69.71
C[NH+](C)CC=CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269791	0	49	0.0	-78.88	414.64	2.12	-76.76
CC[NH+](CC)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025269803	0	51	0.0	-72.84	408.92	2.01	-70.83
CC(C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025269835	1	49	0.0	-71.61	402.51	1.67	-69.94
NC(=[NH2+])SCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025269877	0	43	0.0	-76.50	386.17	-2.20	-78.70
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025269924	0	49	0.0	-69.94	403.56	2.04	-67.90
C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025269924	1	49	0.0	-73.92	397.52	1.51	-72.41
C[N@@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270123	0	50	0.0	-53.90	401.04	3.33	-50.57
C[N@H+]1CCCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270123	1	50	0.0	-56.25	397.98	3.35	-52.90
C[N@@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025270147	1	51	0.0	-70.16	413.58	2.71	-67.45
C[N@H+]1CCOC(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025270147	1	51	0.0	-71.61	414.44	2.60	-69.01
CC1=[NH+]C=CN1CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270286	1	48	0.0	-57.15	405.42	3.91	-53.24
C[C@@H]1[C@H](C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025270305	0	53	0.0	-57.07	409.49	3.30	-53.77
C[C@@H]1[C@H](C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025270305	1	53	0.0	-63.48	418.54	3.72	-59.76
C[NH+](C)C1(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025270326	0	53	0.0	-61.40	407.00	3.84	-57.56
CC(C)[C@@H](C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025270328	0	55	0.0	-59.39	422.02	3.78	-55.61
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025270338	0	53	0.0	-55.66	422.21	4.28	-51.38
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025270338	1	53	0.0	-56.96	423.16	4.13	-52.83
C[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025270364	0	53	0.0	-65.83	420.41	3.97	-61.86
C[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270370	0	53	0.0	-55.68	409.67	3.57	-52.11
C[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270370	1	53	0.0	-57.91	405.36	3.61	-54.30
CC1=C[NH+]=CN1CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270387	1	48	0.0	-56.56	405.76	4.64	-51.92
C[N@@H+]1CCC(CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025270397	0	53	0.0	-61.81	422.60	3.86	-57.95
C[N@H+]1CCC(CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025270397	1	53	0.0	-64.89	422.29	3.89	-61.00
CCC(C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025270400	0	52	0.0	-57.16	403.93	3.36	-53.80
C[NH+](C)CCCCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270414	0	55	0.0	-64.66	440.72	4.52	-60.14
CC(C)C(C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025270418	0	55	0.0	-61.78	422.14	3.83	-57.95
CCC[N@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270419	0	55	0.0	-61.29	438.05	4.18	-57.11
CCC[N@@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270419	1	55	0.0	-60.58	437.44	4.24	-56.34
CCC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270420	0	52	0.0	-56.77	415.08	3.70	-53.07
CCC[N@@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270420	1	52	0.0	-56.66	415.22	3.70	-52.96
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270435	0	50	0.0	-53.11	396.41	2.77	-50.34
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270435	1	50	0.0	-55.33	401.62	3.29	-52.04
CC[NH+](CC)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270447	0	52	0.0	-54.34	406.94	3.45	-50.89
C[NH+](C)CC1(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025270501	0	53	0.0	-51.48	429.52	3.84	-47.64
C[NH+]1CCC(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025270525	0	53	0.0	-65.83	420.41	3.97	-61.86
CC(C)[C@H](C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025270540	0	55	0.0	-54.53	425.63	4.47	-50.06
CC[N@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270568	0	52	0.0	-59.86	415.95	3.52	-56.34
CC[N@@H+](C)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270568	1	52	0.0	-60.51	416.56	3.43	-57.08
CC1CCC[N@@H+]1CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270579	0	53	0.0	-53.98	421.91	3.95	-50.03
CC1CCC[N@H+]1CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270579	1	53	0.0	-55.78	422.39	3.95	-51.83
CC1CC[N@H+](CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025270580	0	53	0.0	-54.87	421.47	4.10	-50.77
CC1CC[N@@H+](CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025270580	1	53	0.0	-57.00	422.60	3.89	-53.11
CC[C@@H](C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025270582	0	52	0.0	-58.25	406.33	3.17	-55.08
C[NH+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270619	0	46	0.0	-57.01	375.36	2.37	-54.64
CN1C=C[N+](CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025270620	0	48	0.0	-57.41	406.58	5.88	-51.53
C[N@@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025270623	0	53	0.0	-61.62	418.81	3.93	-57.69
C[N@H+]1CCCC(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025270623	1	53	0.0	-53.37	411.48	4.08	-49.29
CC(C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025270631	1	50	0.0	-57.72	405.24	3.21	-54.51
C[NH+](C)CC(C)(C)C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270634	0	55	0.0	-59.48	421.08	4.07	-55.41
C[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025270641	0	50	0.0	-55.04	405.11	3.70	-51.34
C[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025270641	1	50	0.0	-56.42	406.44	3.56	-52.86
C[NH+]1CC(CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025270652	0	50	0.0	-59.68	407.29	3.12	-56.56
C[C@@H](C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025270664	0	49	0.0	-58.83	394.31	2.63	-56.20
[N-]=[N+]=NCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NC(=O)NN1	REAL300025270671	0	40	0.0	-21.86	352.32	-2.03	-23.89
C[N@H+](CCO)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270703	0	53	0.0	-61.26	426.30	0.29	-60.97
C[N@@H+](CCO)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270703	1	53	0.0	-61.49	426.86	0.21	-61.28
C[C@@H](C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025270704	0	49	0.0	-58.83	394.31	2.63	-56.20
C[N@@H+]1CCCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270707	0	53	0.0	-56.65	401.87	3.76	-52.89
C[N@H+]1CCCC[C@@H]1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270707	1	53	0.0	-57.85	417.19	3.88	-53.97
C[N@@H+]1CCC(=CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025270744	0	51	0.0	-66.91	415.31	3.77	-63.14
C[N@H+]1CCC(=CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025270744	1	51	0.0	-66.71	414.34	3.80	-62.91
C[NH+](C)CCOCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270754	0	53	0.0	-63.77	431.22	3.44	-60.33
C[C@H](C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025270765	0	49	0.0	-57.53	392.30	2.79	-54.74
CC1C[NH+](CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025270782	1	50	0.0	-55.93	405.54	3.53	-52.40
C[N@H+](CCO)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270795	1	50	0.0	-56.55	404.08	-0.27	-56.82
C[N@@H+](CCO)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270795	1	50	0.0	-57.61	403.71	-0.28	-57.89
CC(CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025270807	0	55	0.0	-62.11	432.54	4.37	-57.74
CC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270809	0	49	0.0	-56.49	393.73	2.96	-53.53
CC[N@@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270809	1	49	0.0	-56.44	393.58	2.96	-53.48
CC[N@H+](CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025270819	0	53	0.0	-53.98	424.56	4.43	-49.55
CC[N@@H+](CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025270819	1	53	0.0	-54.63	422.21	4.28	-50.35
CC[NH+](CC)CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270825	0	55	0.0	-59.00	428.96	4.01	-54.99
C[NH+](C)CC=CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270840	0	50	0.0	-62.79	411.32	3.58	-59.21
COCC[N@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270849	1	53	0.0	-57.91	425.96	2.13	-55.78
COCC[N@@H+](C)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270849	1	53	0.0	-56.28	426.33	2.13	-54.15
CC(CCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025270858	0	55	0.0	-63.41	428.70	4.11	-59.30
CC[N@@H+]1CCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270862	1	50	0.0	-55.17	401.59	2.80	-52.37
CC[N@H+]1CCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270862	1	50	0.0	-58.26	400.17	2.69	-55.57
C=CCC(C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025270887	0	53	0.0	-51.84	419.02	3.85	-47.99
O=C(C[NH+]1CC2CC2C1)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270895	0	51	0.0	-56.27	411.32	4.17	-52.10
CCCC(C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025270901	0	55	0.0	-58.77	426.48	4.12	-54.65
C[NH+](C)C(C)(C)C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270903	0	52	0.0	-60.52	401.95	3.50	-57.02
C[N@@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270913	0	53	0.0	-55.68	409.67	3.57	-52.11
C[N@H+]1CCCCC1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270913	1	53	0.0	-57.91	405.36	3.61	-54.30
C[NH+](C)C1(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025270950	0	50	0.0	-60.73	394.73	3.18	-57.55
O=C(CC[NH+]1CCCC1)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270951	0	53	0.0	-59.32	424.18	4.03	-55.29
C[N@@H+]1CC2CC1(C(=O)NCC13CC(C1)CN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025270961	0	51	0.0	-55.42	404.75	3.19	-52.23
C[N@H+]1CC2CC1(C(=O)NCC13CC(C1)CN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025270961	1	51	0.0	-60.28	407.14	3.57	-56.71
CC(C[NH+](C)C)C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025270997	0	52	0.0	-60.55	410.51	3.64	-56.91
CC(C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025271020	1	53	0.0	-55.46	425.77	3.90	-51.56
CC1CC[N@@H+]1CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025271021	1	50	0.0	-56.01	401.93	3.08	-52.93
CC1CC[N@H+]1CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025271021	1	50	0.0	-56.88	403.43	3.02	-53.86
C[NH+](C)CC(O)CC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025271023	0	53	0.0	-64.94	427.95	1.41	-63.53
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025271053	0	53	0.0	-66.01	426.06	3.96	-62.05
CC(CC[NH+](C)C)C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025271054	0	55	0.0	-63.31	432.19	4.26	-59.05
C[N@@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271224	0	50	0.0	-64.93	399.46	2.90	-62.03
C[N@H+]1CCCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271224	1	50	0.0	-68.24	394.84	2.76	-65.48
C[N@@H+]1CCC(CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025271400	0	53	0.0	-70.75	422.88	3.81	-66.94
C[N@H+]1CCC(CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025271400	1	53	0.0	-71.50	422.89	3.81	-67.69
CCC(C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025271403	0	52	0.0	-67.34	407.16	3.35	-63.99
C[NH+](C)CCCCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271413	0	55	0.0	-70.46	441.20	4.42	-66.04
CC(C)C(C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025271418	0	55	0.0	-67.68	420.57	3.82	-63.86
CCC[N@H+](C)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271419	0	55	0.0	-71.04	436.96	4.30	-66.74
CCC[N@@H+](C)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271419	1	55	0.0	-71.00	436.96	4.30	-66.70
CCC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271420	0	52	0.0	-68.95	415.79	3.61	-65.34
CCC[N@@H+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271420	1	52	0.0	-68.69	415.62	3.67	-65.02
C[NH+](C)CC1(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025271459	0	53	0.0	-68.91	427.02	3.85	-65.06
CC[N@H+](C)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271465	0	52	0.0	-70.15	415.46	3.56	-66.59
CC[N@@H+](C)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271465	1	52	0.0	-70.13	415.95	3.50	-66.63
C[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025271489	0	53	0.0	-75.23	416.37	3.59	-71.64
CC(C)[C@H](C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025271504	0	55	0.0	-67.96	421.73	3.80	-64.16
C[NH+](C)C1(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CCC1	REAL300025271528	0	53	0.0	-72.04	403.91	3.19	-68.85
CC1CCC[N@@H+]1CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271553	0	53	0.0	-66.52	422.30	3.91	-62.61
CC1CCC[N@H+]1CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271553	1	53	0.0	-65.14	414.85	3.60	-61.54
CC(C)[C@@H](C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025271564	0	55	0.0	-67.82	420.23	4.16	-63.66
CC1CC[N@H+](CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025271572	0	53	0.0	-68.66	421.35	3.95	-64.71
CC1CC[N@@H+](CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025271572	1	53	0.0	-68.64	422.78	3.70	-64.94
CC[C@@H](C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025271574	0	52	0.0	-67.47	408.39	3.31	-64.16
CC1=[NH+]C=CN1CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271613	1	48	0.0	-63.18	404.80	3.83	-59.35
CC1=C[NH+]=CN1CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271631	1	48	0.0	-66.43	405.10	4.56	-61.87
C[C@@H]1[C@H](C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025271632	0	53	0.0	-70.34	413.89	3.44	-66.90
C[C@@H]1[C@H](C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025271632	1	53	0.0	-72.87	418.46	3.51	-69.36
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025271664	0	53	0.0	-66.70	422.66	4.17	-62.53
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025271664	1	53	0.0	-66.90	422.80	4.18	-62.72
C[NH+]1CCC(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025271671	0	53	0.0	-75.23	416.37	3.59	-71.64
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271684	0	50	0.0	-68.30	392.63	2.87	-65.43
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271684	1	50	0.0	-65.48	398.01	2.94	-62.54
C[N@@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271727	0	53	0.0	-65.59	417.61	3.74	-61.85
C[N@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271727	1	53	0.0	-65.89	404.47	3.39	-62.50
CC1C(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025271756	0	53	0.0	-67.73	415.06	3.17	-64.56
CC1C(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025271756	1	53	0.0	-70.10	412.01	3.59	-66.51
C[C@@H](C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025271797	0	49	0.0	-66.75	391.31	2.57	-64.18
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)CC[NH+]1CCCC1	REAL300025271815	0	53	0.0	-70.25	422.58	3.90	-66.35
C[N@H+](CCO)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271820	1	50	0.0	-69.30	404.48	-0.31	-69.61
C[N@@H+](CCO)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271820	1	50	0.0	-69.24	404.23	-0.29	-69.53
CC1C[NH+](CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025271866	1	50	0.0	-68.87	407.27	3.37	-65.50
CC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271900	0	49	0.0	-68.35	394.12	2.93	-65.42
CC[N@@H+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271900	1	49	0.0	-68.58	394.30	2.86	-65.72
COCC[N@H+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271953	1	53	0.0	-69.66	426.69	2.01	-67.65
COCC[N@@H+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271953	1	53	0.0	-70.14	426.73	2.10	-68.04
CC(CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025271955	0	55	0.0	-66.63	433.20	4.02	-62.61
CC[N@H+](CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025271960	0	53	0.0	-65.81	425.02	4.30	-61.51
CC[N@@H+](CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025271960	1	53	0.0	-66.71	417.63	4.14	-62.57
C[N@@H+]1CC2CC1(C(=O)N1CC3CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025271973	0	51	0.0	-75.01	399.98	3.44	-71.57
C[N@H+]1CC2CC1(C(=O)N1CC3CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025271973	1	51	0.0	-75.56	398.99	3.31	-72.25
CC(C[NH+](C)C)C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025271982	0	52	0.0	-71.54	415.65	3.40	-68.14
C[NH+](C)C1(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025271988	0	50	0.0	-71.34	399.98	2.68	-68.66
C[C@H](C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025271998	0	49	0.0	-66.98	393.50	2.51	-64.47
CC[N@@H+]1CCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272001	1	50	0.0	-67.78	395.49	2.92	-64.86
CC[N@H+]1CCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272001	1	50	0.0	-67.16	400.51	2.74	-64.42
NC1=CC=[NH+]C=C1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272016	0	46	0.0	-72.38	384.23	0.13	-72.25
CCCC(C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025272020	0	55	0.0	-66.43	426.75	4.01	-62.42
C[NH+](C)C(C)(C)C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272023	0	52	0.0	-74.82	395.49	3.07	-71.75
CC(CC[NH+](C)C)C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272032	0	55	0.0	-70.78	437.31	4.01	-66.77
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C[NH+]1CC2CC2C1	REAL300025272092	0	51	0.0	-70.30	411.87	4.16	-66.14
C[N@@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272102	0	53	0.0	-65.59	417.61	3.74	-61.85
C[N@H+]1CCCCC1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272102	1	53	0.0	-65.89	404.47	3.39	-62.50
C[N@@H+]1CCC(=CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025272130	0	51	0.0	-69.82	413.73	3.85	-65.97
C[N@H+]1CCC(=CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025272130	1	51	0.0	-69.84	413.33	3.84	-66.00
[N-]=[N+]=NCC(=O)N1CC2CC1(CNC(=O)CSC1=NC(=O)NN1)C2	REAL300025272137	0	40	0.0	-22.44	353.42	-2.21	-24.65
CCC1C[NH+](CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025272153	0	53	0.0	-70.83	428.46	4.08	-66.75
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272158	0	50	0.0	-65.49	399.92	2.91	-62.58
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272158	1	50	0.0	-68.31	395.17	2.71	-65.60
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025272201	0	53	0.0	-69.92	426.64	3.89	-66.03
C[NH+](C)CCOCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272218	0	53	0.0	-65.14	431.72	3.22	-61.92
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C[NH+]1CCCCC1	REAL300025272252	0	53	0.0	-69.84	418.51	4.13	-65.71
C[N@@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025272253	0	53	0.0	-71.01	421.84	3.68	-67.33
C[N@H+]1CCCC(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025272253	1	53	0.0	-60.36	410.09	3.78	-56.58
CN1C=C[N+](CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300025272254	0	48	0.0	-63.77	407.09	5.78	-57.99
C[N@H+](CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025272264	0	50	0.0	-65.67	405.68	3.60	-62.07
C[N@@H+](CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025272264	1	50	0.0	-66.34	404.77	3.76	-62.58
CC(CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025272272	0	55	0.0	-68.83	433.03	4.29	-64.54
C[NH+]1CC(CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025272322	0	50	0.0	-68.41	407.29	3.10	-65.31
C[NH+](C)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272329	0	46	0.0	-68.76	375.84	2.26	-66.50
C[N@H+](CCO)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272339	0	53	0.0	-69.53	426.30	0.28	-69.25
C[N@@H+](CCO)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272339	1	53	0.0	-68.95	425.79	0.33	-68.62
C[C@@H](C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025272340	0	49	0.0	-66.75	391.31	2.57	-64.18
CC(C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300025272354	0	53	0.0	-68.08	425.07	3.84	-64.24
CC1CC[N@@H+]1CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272355	1	50	0.0	-66.46	402.25	3.01	-63.45
CC1CC[N@H+]1CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272355	1	50	0.0	-67.75	407.18	3.37	-64.38
C[NH+](C)CC=CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272357	0	50	0.0	-72.19	411.88	3.39	-68.80
CC1(C)C[NH+](CC(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025272361	1	53	0.0	-70.15	427.17	3.79	-66.36
CC[NH+](CC)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272377	0	52	0.0	-67.28	407.43	3.35	-63.93
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C[NH+]1CCC1	REAL300025272382	1	47	0.0	-68.98	387.37	2.63	-66.35
CC[NH+](CC)CCC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272402	0	55	0.0	-69.50	433.79	4.20	-65.30
CC(C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025272431	0	50	0.0	-67.44	405.25	3.17	-64.27
C[NH+](C)CC(C)(C)C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272435	0	55	0.0	-68.89	417.67	3.44	-65.45
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272456	0	53	0.0	-66.01	405.45	3.26	-62.75
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272456	1	53	0.0	-64.78	415.78	3.75	-61.03
C[NH+](C)CC(O)CC(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025272466	0	53	0.0	-72.56	428.55	1.17	-71.39
C=CCC(C(=O)N1CC2CC1(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025272478	0	53	0.0	-65.21	418.71	3.75	-61.46
NC(=[NH2+])SCC(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025272501	0	44	0.0	-58.62	383.27	-0.68	-59.30
CCC1C[NH+](CC(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025272561	1	53	0.0	-56.90	428.10	4.23	-52.67
C[N@@H+]1CCC[C@H]1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025272565	0	50	0.0	-54.25	400.49	3.43	-50.82
C[N@H+]1CCC[C@H]1C(=O)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025272565	1	50	0.0	-51.97	395.39	2.91	-49.06
O=C(C[NH+]1CCCCC1)NCC12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025272572	0	53	0.0	-55.84	417.56	4.16	-51.68
CC1C(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025272576	0	53	0.0	-57.41	414.59	3.45	-53.96
CC1C(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025272576	1	53	0.0	-55.24	417.15	3.85	-51.39
C[NH+](C)CC(=O)NCC1N(C(=O)CSC2=NNC(=O)[N-]2)CCCC1(C)C	REAL300025272722	0	54	0.0	-71.88	406.07	3.41	-68.47
C[C@@H](C(=O)NCC1N(C(=O)CSC2=NNC(=O)[N-]2)CCCC1(C)C)[NH+](C)C	REAL300025272727	0	57	0.0	-69.65	422.34	3.79	-65.86
CC1(C)CCCN(C(=O)CSC2=NC(=O)NN2)C1CNC(=O)CN=[N+]=[N-]	REAL300025272730	0	48	0.0	-24.55	383.03	-0.99	-25.54
C[C@@H](C(=O)NCC1N(C(=O)CSC2=NNC(=O)[N-]2)CCCC1(C)C)[NH+](C)C	REAL300025272740	0	57	0.0	-69.65	422.34	3.79	-65.86
CC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[NH+]1CCC1	REAL300025272748	1	55	0.0	-72.16	416.38	3.87	-68.29
C[C@H](C(=O)NCC1N(C(=O)CSC2=NNC(=O)[N-]2)CCCC1(C)C)[NH+](C)C	REAL300025272753	0	57	0.0	-69.83	423.19	3.82	-66.01
CC[N@H+](C)CC(=O)NCC1N(C(=O)CSC2=NNC(=O)[N-]2)CCCC1(C)C	REAL300025272765	0	57	0.0	-56.46	426.50	4.18	-52.28
CC[N@@H+](C)CC(=O)NCC1N(C(=O)CSC2=NNC(=O)[N-]2)CCCC1(C)C	REAL300025272765	1	57	0.0	-57.40	426.85	4.24	-53.16
C[C@@H](C(=O)N1CCCC(C)(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025272895	0	57	0.0	-66.90	424.01	3.81	-63.09
CC[N@H+](C)CC(=O)N1CCCC(C)(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025272913	0	57	0.0	-68.99	426.89	4.14	-64.85
CC[N@@H+](C)CC(=O)N1CCCC(C)(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025272913	1	57	0.0	-72.24	423.70	3.99	-68.25
C[C@H](C(=O)N1CCCC(C)(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025272922	0	57	0.0	-66.79	422.40	3.82	-62.97
CC1(C)CCCN(C(=O)CN=[N+]=[N-])C1CNC(=O)CSC1=NC(=O)NN1	REAL300025272943	1	48	0.0	-24.46	383.38	-1.07	-25.53
C[NH+](C)CC(=O)N1CCCC(C)(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025272965	0	54	0.0	-73.14	406.14	3.31	-69.83
C[C@@H](C(=O)N1CCCC(C)(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025272968	0	57	0.0	-66.90	424.01	3.81	-63.09
CC1(C)CCCN(C(=O)C[NH+]2CCC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025272974	1	55	0.0	-73.14	416.75	3.83	-69.31
C[N@@H+]1CCCC1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273109	0	53	0.0	-70.41	409.66	3.22	-67.19
C[N@H+]1CCCC1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273109	1	53	0.0	-65.38	417.15	3.07	-62.31
CCC(C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025273212	0	55	0.0	-66.50	423.56	3.15	-63.35
CCC[N@H+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273217	0	55	0.0	-68.30	430.44	3.38	-64.92
CCC[N@@H+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273217	1	55	0.0	-68.25	430.40	3.41	-64.84
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273225	0	53	0.0	-67.15	410.89	2.57	-64.58
C[N@H+]1CCC[C@@H]1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273225	1	53	0.0	-69.12	420.30	2.81	-66.31
CC[NH+](CC)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273230	0	55	0.0	-69.95	430.85	3.19	-66.76
CC[N@H+](C)CCC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273288	0	55	0.0	-68.05	431.11	3.97	-64.08
CC[N@@H+](C)CCC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273288	1	55	0.0	-68.21	431.12	3.97	-64.24
CC[C@@H](C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025273291	0	55	0.0	-69.20	419.92	3.75	-65.45
C[NH+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273309	0	49	0.0	-72.25	394.75	1.82	-70.43
CC(C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+]1CCC1	REAL300025273313	1	53	0.0	-69.84	421.58	2.80	-67.04
C[N@H+](CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)C1CC1	REAL300025273320	0	53	0.0	-66.10	420.80	3.41	-62.69
C[N@@H+](CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)C1CC1	REAL300025273320	1	53	0.0	-69.85	423.23	3.16	-66.69
C[NH+]1CC(CC(=O)NC2CCC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025273326	0	53	0.0	-73.68	425.18	2.58	-71.10
C[C@@H](C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025273333	0	52	0.0	-66.79	409.04	2.39	-64.40
[N-]=[N+]=NCC(=O)NC1CCC2CN(C(=O)CSC3=NC(=O)NN3)CC21	REAL300025273336	0	43	0.0	-22.69	367.98	-1.64	-24.33
C[C@@H](C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025273355	0	52	0.0	-66.79	409.04	2.39	-64.40
C[C@H](C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025273384	0	52	0.0	-66.77	409.34	2.39	-64.38
CC1C[NH+](CC(=O)NC2CCC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025273391	1	53	0.0	-68.17	422.17	3.05	-65.12
C[N@H+](CCO)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273402	1	53	0.0	-68.62	419.26	-0.56	-69.18
C[N@@H+](CCO)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273402	1	53	0.0	-72.88	421.69	-0.82	-73.70
CC[N@H+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273409	0	52	0.0	-67.87	408.85	2.66	-65.21
CC[N@@H+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273409	1	52	0.0	-67.89	408.94	2.64	-65.25
C[NH+](C)CC=CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273427	0	53	0.0	-75.88	429.79	2.97	-72.91
CC[N@@H+]1CCC1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273433	1	53	0.0	-69.82	418.64	2.48	-67.34
CC[N@H+]1CCC1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273433	1	53	0.0	-66.70	422.74	3.03	-63.67
C[NH+](C)C(C)(C)C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273447	0	55	0.0	-74.68	421.00	2.93	-71.75
C[NH+](C)C1(C(=O)NC2CCC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)CC1	REAL300025273470	0	53	0.0	-68.14	417.74	2.64	-65.50
CC(C[NH+](C)C)C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273492	0	55	0.0	-69.34	429.36	3.27	-66.07
CC1CC[N@@H+]1CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273503	1	53	0.0	-70.25	419.64	2.58	-67.67
CC1CC[N@H+]1CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025273503	1	53	0.0	-70.76	425.44	2.85	-67.91
C[N@@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273618	0	53	0.0	-74.40	412.25	2.22	-72.18
C[N@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273618	1	53	0.0	-72.42	412.76	2.22	-70.20
CCC(C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025273692	0	55	0.0	-70.41	417.44	3.52	-66.89
CCC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273696	0	55	0.0	-74.75	433.56	3.18	-71.57
CCC[N@@H+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273696	1	55	0.0	-74.65	433.06	3.11	-71.54
CC[N@H+](C)CCC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273713	0	55	0.0	-76.16	431.12	3.96	-72.20
CC[N@@H+](C)CCC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273713	1	55	0.0	-76.32	431.12	3.96	-72.36
CC[C@@H](C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025273754	0	55	0.0	-70.71	422.02	2.59	-68.12
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273800	0	53	0.0	-72.44	412.77	2.22	-70.22
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273800	1	53	0.0	-71.40	415.54	2.58	-68.82
C[C@@H](C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025273855	0	52	0.0	-72.70	411.00	2.08	-70.62
C[N@H+](CCO)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273865	1	53	0.0	-75.07	421.91	-0.87	-75.94
C[N@@H+](CCO)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273865	1	53	0.0	-75.34	422.17	-0.78	-76.12
CC1C[NH+](CC(=O)N2CC3CCC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025273881	1	53	0.0	-75.33	423.96	2.86	-72.47
CC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273899	0	52	0.0	-74.41	412.06	2.44	-71.97
CC[N@@H+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273899	1	52	0.0	-74.38	412.06	2.44	-71.94
CC(C[NH+](C)C)C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273932	0	55	0.0	-69.82	426.93	3.06	-66.76
C[NH+](C)C1(C(=O)N2CC3CCC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC1	REAL300025273935	0	53	0.0	-76.49	416.31	2.04	-74.45
C[C@H](C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025273939	0	52	0.0	-73.58	410.50	2.07	-71.51
CC[N@@H+]1CCC1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273942	1	53	0.0	-73.79	422.65	2.90	-70.89
CC[N@H+]1CCC1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273942	1	53	0.0	-73.54	422.56	2.95	-70.59
C[NH+](C)C(C)(C)C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025273951	0	55	0.0	-76.76	409.93	2.52	-74.24
[N-]=[N+]=NCC(=O)N1CC2CCC(NC(=O)CSC3=NC(=O)NN3)C2C1	REAL300025274000	0	43	0.0	-24.13	368.35	-2.46	-26.59
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025274013	0	53	0.0	-71.39	417.54	2.62	-68.77
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025274013	1	53	0.0	-72.60	412.31	2.22	-70.38
C[N@H+](CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CC1	REAL300025274050	0	53	0.0	-71.09	420.45	4.13	-66.96
C[N@@H+](CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CC1	REAL300025274050	1	53	0.0	-71.47	420.81	3.38	-68.09
C[NH+]1CC(CC(=O)N2CC3CCC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025274078	0	53	0.0	-74.82	422.83	2.80	-72.02
C[NH+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025274081	0	49	0.0	-74.39	391.39	1.96	-72.43
C[C@@H](C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025274084	0	52	0.0	-72.70	411.00	2.08	-70.62
CC1CC[N@@H+]1CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025274093	1	53	0.0	-71.40	416.81	3.43	-67.97
CC1CC[N@H+]1CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025274093	1	53	0.0	-72.28	421.07	3.73	-68.55
C[NH+](C)CC=CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025274094	0	53	0.0	-79.17	427.28	3.93	-75.24
CC[NH+](CC)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025274100	0	55	0.0	-71.56	422.41	3.80	-67.76
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CN(C(=O)C[NH+]3CCC3)CC21	REAL300025274101	1	50	0.0	-75.18	403.93	2.13	-73.05
CC(C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+]1CCC1	REAL300025274124	1	53	0.0	-72.33	417.49	2.43	-69.90
NC(=[NH2+])SCC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025274164	0	47	0.0	-73.45	403.28	-1.30	-74.75
C[N@@H+]1CCC[C@H]1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025274196	0	53	0.0	-68.08	420.26	2.80	-65.28
C[N@H+]1CCC[C@H]1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025274196	1	53	0.0	-67.09	410.97	2.54	-64.55
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)C1CCC[N@@H+]1C	REAL300025274318	0	55	0.0	-69.81	419.97	3.30	-66.51
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)C1CCC[N@H+]1C	REAL300025274318	1	55	0.0	-69.15	419.49	3.19	-65.96
CCC(C(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300025274409	0	57	0.0	-69.05	422.69	3.31	-65.74
CCC[N@H+](C)CC(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274413	0	57	0.0	-74.70	440.40	4.12	-70.58
CCC[N@@H+](C)CC(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274413	1	57	0.0	-61.84	438.71	3.91	-57.93
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300025274419	0	55	0.0	-58.01	416.09	3.44	-54.57
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)[C@H]1CCC[N@H+]1C	REAL300025274419	1	55	0.0	-65.03	419.49	3.04	-61.99
CC[NH+](CC)CC(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274422	0	57	0.0	-58.97	425.37	3.79	-55.18
CC[N@H+](C)CCC(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274462	0	57	0.0	-64.09	439.57	3.70	-60.39
CC[N@@H+](C)CCC(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274462	1	57	0.0	-64.44	439.57	3.69	-60.75
CC[C@@H](C(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300025274465	0	57	0.0	-57.20	419.95	3.47	-53.73
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)C[NH+](C)C	REAL300025274480	0	51	0.0	-61.80	389.60	2.45	-59.35
CC(C(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+]1CCC1	REAL300025274484	1	55	0.0	-61.26	427.71	3.58	-57.68
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)C[N@H+](C)C1CC1	REAL300025274490	0	55	0.0	-71.59	430.42	4.11	-67.48
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)C[N@@H+](C)C1CC1	REAL300025274490	1	55	0.0	-70.84	423.08	3.63	-67.21
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)CC1C[NH+](C)C1	REAL300025274495	0	55	0.0	-73.57	425.11	3.04	-70.53
C[C@@H](C(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300025274502	0	54	0.0	-71.58	408.72	2.52	-69.06
CC1CCN(C(=O)CSC2=NC(=O)NN2)C(C)C1NC(=O)CN=[N+]=[N-]	REAL300025274505	0	45	0.0	-22.41	366.58	-1.95	-24.36
C[C@@H](C(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300025274520	0	54	0.0	-71.58	408.72	2.52	-69.06
C[C@H](C(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300025274544	0	54	0.0	-71.27	408.61	2.55	-68.72
CC1C[NH+](CC(=O)NC2C(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300025274550	1	55	0.0	-60.88	420.95	3.54	-57.34
CC[N@H+](C)CC(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274564	0	54	0.0	-74.47	418.90	3.38	-71.09
CC[N@@H+](C)CC(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274564	1	54	0.0	-61.64	417.21	3.15	-58.49
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)C=CC[NH+](C)C	REAL300025274578	0	55	0.0	-77.52	429.63	3.45	-74.07
CC[N@@H+]1CCC1C(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274583	1	55	0.0	-72.99	425.34	3.19	-69.80
CC[N@H+]1CCC1C(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274583	1	55	0.0	-61.64	431.14	3.46	-58.18
CC(C[NH+](C)C)C(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274624	0	57	0.0	-54.85	427.80	3.82	-51.03
CC1CC[N@@H+]1CC(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274632	1	55	0.0	-72.14	425.03	3.32	-68.82
CC1CC[N@H+]1CC(=O)NC1C(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274632	1	55	0.0	-59.82	430.86	3.59	-56.23
CC1CCN(C(=O)C2CCC[N@@H+]2C)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025274739	0	55	0.0	-67.60	408.40	3.26	-64.34
CC1CCN(C(=O)C2CCC[N@H+]2C)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025274739	1	55	0.0	-67.33	413.35	3.52	-63.81
CCC(C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300025274810	0	57	0.0	-67.13	422.41	3.31	-63.82
CCC[N@H+](C)CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274813	0	57	0.0	-74.55	440.45	3.99	-70.56
CCC[N@@H+](C)CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274813	1	57	0.0	-74.45	440.45	3.99	-70.46
CC[N@H+](C)CCC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274829	0	57	0.0	-75.02	439.57	3.65	-71.37
CC[N@@H+](C)CCC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274829	1	57	0.0	-77.92	441.30	3.84	-74.08
CC[C@@H](C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300025274854	0	57	0.0	-67.97	415.97	3.60	-64.37
CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025274891	0	55	0.0	-69.58	414.34	2.72	-66.86
CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025274891	1	55	0.0	-70.08	410.84	2.48	-67.60
C[C@@H](C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300025274935	0	54	0.0	-68.97	410.56	2.77	-66.20
CC1C[NH+](CC(=O)N2CCC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2C)C1	REAL300025274959	1	55	0.0	-72.59	430.77	3.48	-69.11
CC[N@H+](C)CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274975	0	54	0.0	-74.36	418.95	3.25	-71.11
CC[N@@H+](C)CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025274975	1	54	0.0	-74.30	418.95	3.25	-71.05
CC(C[NH+](C)C)C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025275000	0	57	0.0	-76.89	428.93	3.03	-73.86
C[C@H](C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300025275004	0	54	0.0	-68.63	407.96	3.14	-65.49
CC[N@@H+]1CCC1C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025275007	1	55	0.0	-71.03	425.23	3.31	-67.72
CC[N@H+]1CCC1C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025275007	1	55	0.0	-69.81	416.21	2.94	-66.87
CC1CCN(C(=O)CN=[N+]=[N-])C(C)C1NC(=O)CSC1=NC(=O)NN1	REAL300025275054	0	45	0.0	-25.17	376.44	-2.02	-27.19
CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025275063	0	55	0.0	-71.31	413.00	2.93	-68.38
CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025275063	1	55	0.0	-70.35	414.35	2.79	-67.56
CC1CCN(C(=O)C[N@H+](C)C2CC2)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025275093	0	55	0.0	-71.04	430.52	4.00	-67.04
CC1CCN(C(=O)C[N@@H+](C)C2CC2)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025275093	1	55	0.0	-68.51	428.74	3.80	-64.71
CC1CCN(C(=O)CC2C[NH+](C)C2)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025275117	0	55	0.0	-77.82	432.35	3.38	-74.44
CC1CCN(C(=O)C[NH+](C)C)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025275120	0	51	0.0	-74.94	401.25	2.59	-72.35
C[C@@H](C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+](C)C	REAL300025275123	0	54	0.0	-68.97	410.56	2.77	-66.20
CC1CC[N@@H+]1CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025275128	1	55	0.0	-72.47	426.94	3.42	-69.05
CC1CC[N@H+]1CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025275128	1	55	0.0	-73.59	432.58	3.68	-69.91
CC1CCN(C(=O)C=CC[NH+](C)C)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025275129	0	55	0.0	-81.15	437.37	3.85	-77.30
CC[NH+](CC)CC(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300025275135	0	57	0.0	-72.64	432.83	3.67	-68.97
CC1CCN(C(=O)C[NH+]2CCC2)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025275136	1	52	0.0	-71.44	399.86	2.82	-68.62
CC(C(=O)N1CCC(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1C)[NH+]1CCC1	REAL300025275153	1	55	0.0	-68.71	422.55	3.33	-65.38
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025275208	0	55	0.0	-67.45	401.97	3.50	-63.95
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300025275208	1	55	0.0	-60.98	425.32	3.54	-57.44
C[N@@H+]1CCCC1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275386	0	52	0.0	-70.83	405.28	2.58	-68.25
C[N@H+]1CCCC1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275386	1	52	0.0	-70.77	405.59	2.52	-68.25
C[N@@H+]1CCOC(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025275410	1	53	0.0	-61.65	415.83	2.31	-59.34
C[N@H+]1CCOC(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025275410	1	53	0.0	-84.19	422.97	2.48	-81.71
CC1=[NH+]C=CN1CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275549	1	50	0.0	-66.35	414.94	3.68	-62.67
C[C@@H]1[C@H](C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025275567	0	55	0.0	-69.46	421.83	3.01	-66.45
C[C@@H]1[C@H](C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025275567	1	55	0.0	-72.88	427.59	3.51	-69.37
C[NH+](C)C1(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025275587	0	55	0.0	-63.00	403.51	4.58	-58.42
CC(C)[C@@H](C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025275589	0	57	0.0	-69.84	434.56	4.25	-65.59
C[N@H+](CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025275598	0	55	0.0	-65.33	431.74	4.04	-61.29
C[N@@H+](CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025275598	1	55	0.0	-66.63	431.64	4.04	-62.59
C[NH+]1CCC(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025275622	0	55	0.0	-71.42	430.12	3.72	-67.70
C[N@@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275628	0	55	0.0	-62.83	427.27	3.62	-59.21
C[N@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275628	1	55	0.0	-68.32	418.15	3.41	-64.91
CC1=C[NH+]=CN1CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275645	1	50	0.0	-69.80	414.23	4.36	-65.44
C[N@@H+]1CCC(CC(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025275655	0	55	0.0	-70.45	432.13	3.70	-66.75
C[N@H+]1CCC(CC(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025275655	1	55	0.0	-70.72	431.83	3.61	-67.11
CCC(C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025275658	0	54	0.0	-66.40	414.61	3.05	-63.35
C[NH+](C)CCCCC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275672	0	57	0.0	-72.83	451.14	4.24	-68.59
CC(C)C(C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025275675	0	57	0.0	-62.50	430.09	3.97	-58.53
CCC[N@H+](C)CCC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275676	0	57	0.0	-71.04	447.12	4.02	-67.02
CCC[N@@H+](C)CCC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275676	1	57	0.0	-71.02	447.37	4.05	-66.97
CCC[N@H+](C)CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275677	0	54	0.0	-67.82	424.75	3.48	-64.34
CCC[N@@H+](C)CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275677	1	54	0.0	-68.06	424.75	3.48	-64.58
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275692	0	52	0.0	-70.86	405.30	2.58	-68.28
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275692	1	52	0.0	-64.34	410.65	3.18	-61.16
CC[NH+](CC)CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275704	0	54	0.0	-67.70	421.04	3.35	-64.35
C[NH+](C)CC1(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025275758	0	55	0.0	-57.87	427.32	4.22	-53.65
C[NH+]1CCC(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025275780	0	55	0.0	-71.42	430.12	3.72	-67.70
CC(C)[C@H](C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025275795	0	57	0.0	-63.65	433.58	4.12	-59.53
CC[N@H+](C)CCC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275822	0	54	0.0	-70.43	425.62	3.27	-67.16
CC[N@@H+](C)CCC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275822	1	54	0.0	-70.18	425.62	3.29	-66.89
CC1CCC[N@@H+]1CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275832	0	55	0.0	-64.37	424.23	3.38	-60.99
CC1CCC[N@H+]1CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275832	1	55	0.0	-64.79	430.89	3.81	-60.98
CC1CC[N@H+](CC(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025275833	0	55	0.0	-67.05	431.09	3.75	-63.30
CC1CC[N@@H+](CC(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025275833	1	55	0.0	-67.26	431.09	3.76	-63.50
CC[C@@H](C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025275835	0	54	0.0	-66.88	416.04	2.97	-63.91
C[NH+](C)CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275871	0	48	0.0	-68.37	385.78	2.10	-66.27
CN1C=C[N+](CC(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025275872	0	50	0.0	-65.10	416.75	5.57	-59.53
C[N@@H+]1CCCC(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025275875	0	55	0.0	-61.03	423.85	3.89	-57.14
C[N@H+]1CCCC(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025275875	1	55	0.0	-61.01	423.77	3.90	-57.11
CC(C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025275882	1	52	0.0	-66.46	413.61	3.09	-63.37
C[NH+](C)CC(C)(C)C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275885	0	57	0.0	-59.23	433.96	3.74	-55.49
C[N@H+](CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025275892	0	52	0.0	-65.26	414.93	3.47	-61.79
C[N@@H+](CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025275892	1	52	0.0	-65.99	414.92	3.47	-62.52
C[NH+]1CC(CC(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025275903	0	52	0.0	-68.54	417.23	2.93	-65.61
C[C@@H](C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025275915	0	51	0.0	-69.31	402.93	2.36	-66.95
CC1(CNC(=O)CN=[N+]=[N-])CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025275922	0	42	0.0	-25.04	362.41	-2.41	-27.45
C[C@@H](C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025275953	0	51	0.0	-69.31	402.93	2.36	-66.95
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275956	0	55	0.0	-64.80	418.09	3.42	-61.38
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275956	1	55	0.0	-61.85	427.55	3.62	-58.23
C[N@@H+]1CCC(=CC(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025275992	0	53	0.0	-73.05	423.48	3.65	-69.40
C[N@H+]1CCC(=CC(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025275992	1	53	0.0	-72.91	424.43	3.57	-69.34
C[C@H](C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025276010	0	51	0.0	-68.56	403.67	2.47	-66.09
CC1C[NH+](CC(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025276026	1	52	0.0	-68.29	416.79	3.16	-65.13
C[N@H+](CCO)CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276039	1	52	0.0	-67.62	413.60	-0.50	-68.12
C[N@@H+](CCO)CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276039	1	52	0.0	-67.33	413.45	-0.59	-67.92
CC(CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025276051	0	57	0.0	-76.97	442.54	4.03	-72.94
CC[N@H+](C)CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276053	0	51	0.0	-67.55	403.25	2.73	-64.82
CC[N@@H+](C)CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276053	1	51	0.0	-67.68	403.26	2.74	-64.94
CC[N@H+](CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025276063	0	55	0.0	-66.30	426.44	3.59	-62.71
CC[N@@H+](CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025276063	1	55	0.0	-66.94	426.73	3.92	-63.02
CC[NH+](CC)CCC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276069	0	57	0.0	-70.39	439.24	3.68	-66.71
C[NH+](C)CC=CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276084	0	52	0.0	-72.45	423.01	3.35	-69.10
CC(CCC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025276101	0	57	0.0	-70.79	442.46	3.79	-67.00
CC[N@@H+]1CCC1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276105	1	52	0.0	-65.53	410.13	2.70	-62.83
CC[N@H+]1CCC1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276105	1	52	0.0	-67.89	417.13	3.02	-64.87
C=CCC(C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025276126	0	55	0.0	-68.18	428.62	3.54	-64.64
CC1(CNC(=O)C[NH+]2CC3CC3C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276134	0	53	0.0	-67.89	420.87	3.94	-63.95
CCCC(C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025276139	0	57	0.0	-69.39	436.73	3.79	-65.60
C[NH+](C)C(C)(C)C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276141	0	54	0.0	-74.27	413.24	3.27	-71.00
C[N@@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276151	0	55	0.0	-62.83	427.27	3.62	-59.21
C[N@H+]1CCCCC1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276151	1	55	0.0	-68.32	418.15	3.41	-64.91
C[NH+](C)C1(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025276187	0	52	0.0	-56.40	403.63	3.93	-52.47
CC1(CNC(=O)CC[NH+]2CCCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276188	0	55	0.0	-69.84	433.85	3.79	-66.05
C[N@@H+]1CC2CC1(C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025276198	0	53	0.0	-73.97	417.88	3.24	-70.73
C[N@H+]1CC2CC1(C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025276198	1	53	0.0	-53.72	397.78	3.61	-50.11
CC(C[NH+](C)C)C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276233	0	54	0.0	-70.97	424.18	3.36	-67.61
CC(C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025276253	1	55	0.0	-66.08	434.72	3.75	-62.33
CC1CC[N@@H+]1CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276254	1	52	0.0	-65.61	416.87	3.21	-62.40
CC1CC[N@H+]1CC(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276254	1	52	0.0	-65.91	417.07	3.18	-62.73
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025276285	0	55	0.0	-73.72	435.20	3.79	-69.93
CC(CC[NH+](C)C)C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276286	0	57	0.0	-71.87	445.82	3.99	-67.88
C[N@@H+]1CCCC1C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276455	0	52	0.0	-65.79	408.11	2.71	-63.08
C[N@H+]1CCCC1C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276455	1	52	0.0	-65.14	407.16	2.90	-62.24
C[N@@H+]1CCC(CC(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025276629	0	55	0.0	-71.23	431.81	3.46	-67.77
C[N@H+]1CCC(CC(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025276629	1	55	0.0	-71.04	432.16	3.58	-67.46
CCC(C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025276632	0	54	0.0	-66.16	411.94	2.67	-63.49
C[NH+](C)CCCCC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276641	0	57	0.0	-72.04	450.79	4.10	-67.94
CCC[N@H+](C)CCC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276644	0	57	0.0	-71.42	446.58	3.81	-67.61
CCC[N@@H+](C)CCC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276644	1	57	0.0	-71.57	446.58	3.84	-67.73
CCC[N@H+](C)CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276645	0	54	0.0	-68.50	424.69	3.41	-65.09
CCC[N@@H+](C)CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276645	1	54	0.0	-68.64	424.71	3.35	-65.29
C[NH+](C)CC1(C(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025276675	0	55	0.0	-75.03	431.94	3.38	-71.65
CC[N@H+](C)CCC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276680	0	54	0.0	-70.68	425.08	3.07	-67.61
CC[N@@H+](C)CCC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276680	1	54	0.0	-70.83	425.16	3.08	-67.75
C[NH+]1CCC(C(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025276695	0	55	0.0	-73.12	425.31	3.32	-69.80
CC1CCC[N@@H+]1CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276733	0	55	0.0	-65.71	430.99	3.50	-62.21
CC1CCC[N@H+]1CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276733	1	55	0.0	-65.61	423.73	3.20	-62.41
CC1CC[N@H+](CC(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025276748	0	55	0.0	-67.93	430.87	3.68	-64.25
CC1CC[N@@H+](CC(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025276748	1	55	0.0	-68.15	430.33	3.59	-64.56
CC[C@@H](C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025276750	0	54	0.0	-66.07	412.19	2.87	-63.20
CC1=[NH+]C=CN1CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276784	1	50	0.0	-65.95	414.53	3.46	-62.49
CC1=C[NH+]=CN1CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276799	1	50	0.0	-66.39	413.69	4.14	-62.25
C[C@@H]1[C@H](C(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025276800	0	55	0.0	-68.39	418.60	3.45	-64.94
C[C@@H]1[C@H](C(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025276800	1	55	0.0	-73.96	427.64	3.17	-70.79
C[N@H+](CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025276823	0	55	0.0	-66.73	431.90	4.02	-62.71
C[N@@H+](CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025276823	1	55	0.0	-67.08	431.61	3.91	-63.17
C[NH+]1CCC(C(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025276829	0	55	0.0	-73.12	425.31	3.32	-69.80
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276839	0	52	0.0	-70.26	403.50	2.35	-67.91
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276839	1	52	0.0	-65.92	408.47	2.66	-63.26
CC1C(C(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025276899	0	55	0.0	-72.80	422.03	3.24	-69.56
CC1C(C(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025276899	1	55	0.0	-70.12	421.94	2.88	-67.24
C[C@@H](C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025276933	0	51	0.0	-68.49	401.89	2.19	-66.30
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CC[NH+]1CCCC1	REAL300025276951	0	55	0.0	-70.07	433.31	3.59	-66.48
C[N@H+](CCO)CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276956	1	52	0.0	-70.02	413.57	-0.62	-70.64
C[N@@H+](CCO)CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025276956	1	52	0.0	-69.63	412.96	-0.72	-70.35
CC1C[NH+](CC(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025276995	1	52	0.0	-68.91	416.29	2.95	-65.96
CC[N@H+](C)CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277020	0	51	0.0	-68.42	402.83	2.51	-65.91
CC[N@@H+](C)CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277020	1	51	0.0	-68.28	403.22	2.61	-65.67
CC(CCC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025277065	0	57	0.0	-68.45	442.40	3.66	-64.79
CC[N@H+](CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025277069	0	55	0.0	-64.89	433.90	3.91	-60.98
CC[N@@H+](CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025277069	1	55	0.0	-66.17	431.03	3.86	-62.31
CC(C[NH+](C)C)C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277088	0	54	0.0	-67.57	416.84	3.53	-64.04
C[C@H](C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025277100	0	51	0.0	-63.93	398.60	2.81	-61.12
CC[N@@H+]1CCC1C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277103	0	52	0.0	-67.26	408.06	2.44	-64.82
CC[N@H+]1CCC1C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277103	1	52	0.0	-68.00	415.87	2.99	-65.01
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=C[NH+]=CC=C1N	REAL300025277113	0	48	0.0	-68.17	389.08	0.29	-67.88
CCCC(C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025277117	0	57	0.0	-68.20	435.78	3.62	-64.58
CC(CC[NH+](C)C)C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277127	0	57	0.0	-70.66	440.77	3.51	-67.15
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300025277183	0	53	0.0	-68.94	419.51	3.68	-65.26
C[N@@H+]1CCCCC1C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277190	0	55	0.0	-67.67	413.78	2.91	-64.76
C[N@H+]1CCCCC1C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277190	1	55	0.0	-67.53	425.53	3.40	-64.13
C[N@@H+]1CCC(=CC(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025277209	0	53	0.0	-71.58	422.63	3.57	-68.01
C[N@H+]1CCC(=CC(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025277209	1	53	0.0	-72.02	422.19	3.52	-68.50
CC1(CNC(=O)CSC2=NC(=O)NN2)CCCN1C(=O)CN=[N+]=[N-]	REAL300025277214	0	42	0.0	-24.83	362.44	-2.47	-27.30
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277227	0	52	0.0	-66.30	408.16	2.79	-63.51
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277227	1	52	0.0	-70.82	403.64	2.43	-68.39
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025277263	0	55	0.0	-72.58	434.11	3.56	-69.02
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CCCCC1	REAL300025277297	0	55	0.0	-68.43	427.39	3.72	-64.71
C[N@@H+]1CCCC(C(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025277298	0	55	0.0	-70.59	425.11	3.18	-67.41
C[N@H+]1CCCC(C(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025277298	1	55	0.0	-60.71	419.10	3.35	-57.36
CN1C=C[N+](CC(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025277299	0	50	0.0	-64.89	416.72	5.47	-59.42
C[N@H+](CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025277308	0	52	0.0	-65.99	414.32	3.25	-62.74
C[N@@H+](CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025277308	1	52	0.0	-66.44	414.87	3.42	-63.02
CC(CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025277316	0	57	0.0	-76.43	442.18	3.89	-72.54
C[NH+]1CC(CC(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025277356	0	52	0.0	-68.36	416.46	2.70	-65.66
C[NH+](C)CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277363	0	48	0.0	-68.84	385.44	1.94	-66.90
C[C@@H](C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025277371	0	51	0.0	-68.49	401.89	2.19	-66.30
CC(C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025277381	0	55	0.0	-66.45	429.45	3.19	-63.26
CC1CC[N@@H+]1CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277382	0	52	0.0	-67.10	411.44	2.86	-64.24
CC1CC[N@H+]1CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277382	1	52	0.0	-68.73	416.97	3.14	-65.59
C[NH+](C)CC=CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277383	0	52	0.0	-74.63	421.52	3.17	-71.46
CC1(C)C[NH+](CC(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025277386	1	55	0.0	-68.97	436.04	3.63	-65.34
CC[NH+](CC)CC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277399	0	54	0.0	-67.41	416.43	2.89	-64.52
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CCC1	REAL300025277404	1	49	0.0	-69.18	395.12	2.27	-66.91
CC[NH+](CC)CCC(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277418	0	57	0.0	-69.93	442.85	3.79	-66.14
CC(C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025277439	0	52	0.0	-66.75	409.48	2.78	-63.97
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277457	0	55	0.0	-67.75	413.81	2.94	-64.81
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025277457	1	55	0.0	-67.39	425.52	3.40	-63.99
C=CCC(C(=O)N1CCCC1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025277473	0	55	0.0	-66.43	426.69	3.29	-63.14
CC1(CNC(=O)CSC(N)=[NH2+])CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025277493	0	46	0.0	-70.54	393.70	-0.95	-71.49
CCC1C[NH+](CC(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025277548	1	55	0.0	-68.41	438.45	3.95	-64.46
C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025277552	0	52	0.0	-64.92	411.43	3.06	-61.86
C[N@H+]1CCC[C@H]1C(=O)NCC1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025277552	1	52	0.0	-64.43	405.34	2.56	-61.87
CC1(CNC(=O)C[NH+]2CCCCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025277559	0	55	0.0	-67.56	427.58	3.85	-63.71
CC1C(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025277563	0	55	0.0	-65.17	431.54	3.57	-61.60
CC1C(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025277563	1	55	0.0	-65.61	426.69	3.22	-62.39
C[N@@H+]1CCCC1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025277770	0	50	0.0	-65.78	400.73	2.34	-63.44
C[N@H+]1CCCC1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025277770	1	50	0.0	-66.48	400.77	2.40	-64.08
C[N@@H+]1CCOC(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025277794	1	51	0.0	-72.46	405.23	1.65	-70.81
C[N@H+]1CCOC(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025277794	1	51	0.0	-80.67	408.40	1.61	-79.06
CC1=[NH+]C=CN1CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025277933	1	48	0.0	-72.28	407.41	2.79	-69.49
C[C@@H]1[C@H](C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)CC[N@@H+]1C	REAL300025277952	0	53	0.0	-67.10	410.78	2.76	-64.34
C[C@@H]1[C@H](C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)CC[N@H+]1C	REAL300025277952	1	53	0.0	-77.74	421.76	2.52	-75.22
C[NH+](C)C1(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)CCC1	REAL300025277973	0	53	0.0	-64.19	410.56	3.38	-60.81
CC(C)[C@@H](C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025277975	0	55	0.0	-66.94	421.44	3.84	-63.10
C[N@H+](CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)C1CCC1	REAL300025277985	0	53	0.0	-73.57	425.10	3.19	-70.38
C[N@@H+](CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)C1CCC1	REAL300025277985	1	53	0.0	-73.87	425.24	3.20	-70.67
C[NH+]1CCC(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)CC1	REAL300025278011	0	53	0.0	-79.52	423.54	2.88	-76.64
C[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278017	0	53	0.0	-66.40	417.03	2.98	-63.42
C[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278017	1	53	0.0	-72.83	420.06	2.94	-69.89
CC1=C[NH+]=CN1CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278034	1	48	0.0	-74.80	407.70	3.52	-71.28
C[N@@H+]1CCC(CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025278044	0	53	0.0	-76.84	425.81	2.81	-74.03
C[N@H+]1CCC(CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025278044	1	53	0.0	-70.85	421.76	2.97	-67.88
CCC(C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025278047	0	52	0.0	-72.29	409.24	2.23	-70.06
C[NH+](C)CCCCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278061	0	55	0.0	-77.26	444.36	3.35	-73.91
CC(C)C(C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025278065	0	55	0.0	-72.79	426.36	3.43	-69.36
CCC[N@H+](C)CCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278066	0	55	0.0	-77.62	440.60	3.18	-74.44
CCC[N@@H+](C)CCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278066	1	55	0.0	-77.67	440.48	3.19	-74.48
CCC[N@H+](C)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278067	0	52	0.0	-68.07	416.14	3.19	-64.88
CCC[N@@H+](C)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278067	1	52	0.0	-75.82	418.23	2.63	-73.19
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278082	0	50	0.0	-75.58	398.05	1.89	-73.69
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278082	1	50	0.0	-72.34	404.94	2.28	-70.06
CC[NH+](CC)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278094	0	52	0.0	-73.93	415.10	2.57	-71.36
C[NH+](C)CC1(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)CC1	REAL300025278148	0	53	0.0	-70.50	420.14	3.10	-67.40
C[NH+]1CCC(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)CC1	REAL300025278172	0	53	0.0	-79.52	423.54	2.88	-76.64
CC(C)[C@H](C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025278187	0	55	0.0	-73.26	427.40	3.41	-69.85
CC[N@H+](C)CCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278215	0	52	0.0	-76.77	418.98	2.44	-74.33
CC[N@@H+](C)CCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278215	1	52	0.0	-76.83	418.98	2.44	-74.39
CC1CCC[N@@H+]1CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278226	0	53	0.0	-64.90	420.71	3.51	-61.39
CC1CCC[N@H+]1CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278226	1	53	0.0	-66.08	413.99	2.75	-63.33
CC1CC[N@H+](CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025278227	0	53	0.0	-68.25	421.12	3.02	-65.23
CC1CC[N@@H+](CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025278227	1	53	0.0	-68.31	420.51	3.03	-65.28
CC[C@@H](C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025278229	0	52	0.0	-72.61	409.16	2.22	-70.39
C[NH+](C)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278266	0	46	0.0	-76.01	379.00	1.21	-74.80
CN1C=C[N+](CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)=C1	REAL300025278267	0	48	0.0	-73.39	410.23	4.72	-68.67
C[N@@H+]1CCCC(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025278270	0	53	0.0	-76.46	422.99	2.96	-73.50
C[N@H+]1CCCC(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025278270	1	53	0.0	-69.47	416.83	3.15	-66.32
CC(C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+]1CCC1	REAL300025278278	1	50	0.0	-72.83	406.67	2.25	-70.58
C[NH+](C)CC(C)(C)C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278281	0	55	0.0	-74.98	428.83	2.95	-72.03
C[N@H+](CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)C1CC1	REAL300025278288	0	50	0.0	-72.70	408.14	2.63	-70.07
C[N@@H+](CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)C1CC1	REAL300025278288	1	50	0.0	-73.31	408.40	2.62	-70.69
C[NH+]1CC(CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025278299	0	50	0.0	-75.99	410.45	2.03	-73.96
C[C@@H](C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025278311	0	49	0.0	-73.89	397.06	1.62	-72.27
[N-]=[N+]=NCC(=O)NC1CC2CN(C(=O)CSC3=NC(=O)NN3)CC21	REAL300025278318	0	40	0.0	-25.93	355.10	-3.06	-28.99
C[N@H+](CCO)CCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278350	0	53	0.0	-76.64	429.33	-0.78	-77.42
C[N@@H+](CCO)CCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278350	1	53	0.0	-76.19	429.43	-0.81	-77.00
C[C@@H](C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025278351	0	49	0.0	-73.89	397.06	1.62	-72.27
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278354	0	53	0.0	-67.28	407.64	2.78	-64.50
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278354	1	53	0.0	-72.96	420.07	2.95	-70.01
O=C(C[NH+]1CCC1)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278381	1	47	0.0	-76.01	389.21	1.68	-74.33
C[N@@H+]1CCC(=CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025278391	0	51	0.0	-72.91	413.84	2.90	-70.01
C[N@H+]1CCC(=CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025278391	1	51	0.0	-73.22	412.86	2.94	-70.28
C[NH+](C)CCOCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278401	0	53	0.0	-75.05	434.87	2.26	-72.79
C[C@H](C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025278412	0	49	0.0	-73.97	397.06	1.63	-72.34
CC1C[NH+](CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025278429	1	50	0.0	-75.92	409.88	2.28	-73.64
C[N@H+](CCO)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278442	1	50	0.0	-76.27	407.08	-1.36	-77.63
C[N@@H+](CCO)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278442	1	50	0.0	-68.33	404.99	-0.76	-69.09
CC(CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)C[NH+](C)C	REAL300025278454	0	55	0.0	-79.95	436.14	3.19	-76.76
CC[N@H+](C)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278456	0	49	0.0	-67.75	394.64	2.45	-65.30
CC[N@@H+](C)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278456	1	49	0.0	-75.36	396.73	1.88	-73.48
CC[N@H+](CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)C1CC1	REAL300025278466	0	53	0.0	-72.33	428.08	3.29	-69.04
CC[N@@H+](CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)C1CC1	REAL300025278466	1	53	0.0	-72.76	424.93	3.25	-69.51
CC[NH+](CC)CCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278472	0	55	0.0	-75.86	436.94	3.14	-72.72
CC1(C)C[NH+](CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025278480	1	53	0.0	-76.06	429.49	2.82	-73.24
C[NH+](C)CC=CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278487	0	50	0.0	-79.06	416.23	2.47	-76.59
COCC[N@H+](C)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278496	1	53	0.0	-68.32	426.97	1.64	-66.68
COCC[N@@H+](C)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278496	1	53	0.0	-76.57	429.33	1.04	-75.53
CC(CCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025278505	0	55	0.0	-78.82	432.34	2.95	-75.87
CC[N@@H+]1CCC1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278509	1	50	0.0	-65.79	401.28	2.54	-63.25
CC[N@H+]1CCC1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278509	1	50	0.0	-66.49	407.51	2.74	-63.75
C=CCC(C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025278534	0	53	0.0	-74.51	425.62	2.88	-71.63
O=C(C[NH+]1CC2CC2C1)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278542	0	51	0.0	-67.74	412.38	3.67	-64.07
CCCC(C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025278548	0	55	0.0	-74.81	433.11	3.12	-71.69
C[NH+](C)C(C)(C)C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278550	0	52	0.0	-79.16	406.17	2.38	-76.78
C[N@@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278560	0	53	0.0	-66.40	417.03	2.98	-63.42
C[N@H+]1CCCCC1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278560	1	53	0.0	-72.83	420.06	2.94	-69.89
C[NH+](C)C1(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)CC1	REAL300025278597	0	50	0.0	-69.75	396.48	2.98	-66.77
O=C(CC[NH+]1CCCC1)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278598	0	53	0.0	-76.86	425.73	2.83	-74.03
C[N@@H+]1CC2CC1(C(=O)NC1CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC31)C2	REAL300025278608	0	51	0.0	-80.06	410.38	2.53	-77.53
C[N@H+]1CC2CC1(C(=O)NC1CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC31)C2	REAL300025278608	1	51	0.0	-78.82	411.58	2.26	-76.56
CC(C[NH+](C)C)C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278644	0	52	0.0	-76.24	417.42	2.51	-73.73
CC(C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+]1CC(C)C1	REAL300025278667	1	53	0.0	-66.74	423.09	3.10	-63.64
CC1CC[N@@H+]1CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278668	1	50	0.0	-65.78	402.76	2.63	-63.15
CC1CC[N@H+]1CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278668	1	50	0.0	-65.76	401.16	2.54	-63.22
C[NH+](C)CC(O)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278670	0	53	0.0	-79.98	431.70	0.20	-79.78
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025278700	0	53	0.0	-75.41	428.30	2.95	-72.46
CC(CC[NH+](C)C)C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025278701	0	55	0.0	-75.95	439.04	3.12	-72.83
C[N@@H+]1CCCC1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025278871	0	50	0.0	-75.23	395.19	2.24	-72.99
C[N@H+]1CCCC1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025278871	1	50	0.0	-72.78	393.48	1.79	-70.99
C[N@@H+]1CCOC(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025278897	1	51	0.0	-75.12	400.30	1.42	-73.70
C[N@H+]1CCOC(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025278897	1	51	0.0	-75.74	403.82	1.29	-74.45
C[N@@H+]1CCC(CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025279047	0	53	0.0	-75.73	422.08	2.92	-72.81
C[N@H+]1CCC(CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025279047	1	53	0.0	-77.86	424.95	2.92	-74.94
CCC(C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025279050	0	52	0.0	-70.24	404.52	2.13	-68.11
C[NH+](C)CCCCC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279060	0	55	0.0	-78.32	442.27	3.90	-74.42
CC(C)C(C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025279065	0	55	0.0	-73.16	421.63	2.66	-70.50
CCC[N@H+](C)CCC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279066	0	55	0.0	-76.79	440.47	3.17	-73.62
CCC[N@@H+](C)CCC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279066	1	55	0.0	-76.68	440.60	3.15	-73.53
CCC[N@H+](C)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279067	0	52	0.0	-74.96	415.81	3.20	-71.76
CCC[N@@H+](C)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279067	1	52	0.0	-74.71	416.13	3.14	-71.57
C[NH+](C)CC1(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC1	REAL300025279106	0	53	0.0	-72.27	425.99	2.71	-69.56
CC[N@H+](C)CCC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279112	0	52	0.0	-76.19	418.23	2.54	-73.65
CC[N@@H+](C)CCC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279112	1	52	0.0	-76.22	418.24	2.53	-73.69
C[NH+]1CCC(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC1	REAL300025279136	0	53	0.0	-80.33	421.48	3.28	-77.05
CC(C)[C@H](C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025279151	0	55	0.0	-71.38	418.26	2.54	-68.84
C[NH+](C)C1(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)CCC1	REAL300025279175	0	53	0.0	-76.52	402.48	2.55	-73.97
CC1CCC[N@@H+]1CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279200	0	53	0.0	-71.07	424.02	2.96	-68.11
CC1CCC[N@H+]1CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279200	1	53	0.0	-70.43	417.20	2.68	-67.75
CC(C)[C@@H](C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025279211	0	55	0.0	-72.19	421.79	2.81	-69.38
CC1CC[N@H+](CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025279219	0	53	0.0	-73.06	425.13	2.89	-70.17
CC1CC[N@@H+](CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025279219	1	53	0.0	-72.95	423.54	2.96	-69.99
CC[C@@H](C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025279221	0	52	0.0	-70.64	402.54	2.20	-68.44
CC1=[NH+]C=CN1CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279260	1	48	0.0	-69.52	404.27	2.93	-66.59
CC1=C[NH+]=CN1CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279278	1	48	0.0	-73.17	408.43	3.52	-69.65
C[C@@H]1[C@H](C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC[N@@H+]1C	REAL300025279279	0	53	0.0	-77.97	414.29	2.11	-75.86
C[C@@H]1[C@H](C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC[N@H+]1C	REAL300025279279	1	53	0.0	-73.72	415.61	2.87	-70.85
C[N@H+](CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CCC1	REAL300025279311	0	53	0.0	-72.28	423.00	3.72	-68.56
C[N@@H+](CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CCC1	REAL300025279311	1	53	0.0	-71.35	421.24	3.32	-68.03
C[NH+]1CCC(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC1	REAL300025279318	0	53	0.0	-80.33	421.48	3.28	-77.05
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279331	0	50	0.0	-72.25	396.75	1.77	-70.48
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279331	1	50	0.0	-70.41	395.05	2.08	-68.33
C[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279374	0	53	0.0	-69.86	417.80	2.66	-67.20
C[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279374	1	53	0.0	-69.92	418.69	2.83	-67.09
CC1C(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC[N@@H+]1C	REAL300025279403	0	53	0.0	-73.16	416.23	2.66	-70.50
CC1C(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC[N@H+]1C	REAL300025279403	1	53	0.0	-74.36	411.36	2.56	-71.80
C[C@@H](C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025279444	0	49	0.0	-71.84	393.58	1.45	-70.39
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)CC[NH+]3CCCC3)CC21	REAL300025279462	0	53	0.0	-75.45	427.21	2.94	-72.51
C[N@H+](CCO)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279467	1	50	0.0	-75.26	404.99	-0.83	-76.09
C[N@@H+](CCO)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279467	1	50	0.0	-75.84	404.61	-0.78	-76.62
CC1C[NH+](CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025279513	1	50	0.0	-74.72	408.52	2.41	-72.31
CC[N@H+](C)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279547	0	49	0.0	-74.68	394.31	2.45	-72.23
CC[N@@H+](C)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279547	1	49	0.0	-74.42	394.63	2.40	-72.02
COCC[N@H+](C)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279600	1	53	0.0	-75.56	426.85	1.62	-73.94
COCC[N@@H+](C)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279600	1	53	0.0	-75.56	427.24	1.57	-73.99
CC(CCC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025279602	0	55	0.0	-81.35	430.78	3.50	-77.85
CC[N@H+](CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CC1	REAL300025279607	0	53	0.0	-70.03	427.59	3.19	-66.84
CC[N@@H+](CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CC1	REAL300025279607	1	53	0.0	-71.15	424.82	3.32	-67.83
C[N@@H+]1CC2CC1(C(=O)N1CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C1)C2	REAL300025279620	0	51	0.0	-62.51	398.46	2.97	-59.54
C[N@H+]1CC2CC1(C(=O)N1CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C1)C2	REAL300025279620	1	51	0.0	-76.44	401.99	2.32	-74.12
CC(C[NH+](C)C)C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279629	0	52	0.0	-77.06	417.16	2.42	-74.64
C[NH+](C)C1(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC1	REAL300025279635	0	50	0.0	-76.34	399.11	1.73	-74.61
C[C@H](C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025279645	0	49	0.0	-72.79	394.60	1.46	-71.33
CC[N@@H+]1CCC1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279648	1	50	0.0	-72.70	400.43	2.44	-70.26
CC[N@H+]1CCC1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279648	1	50	0.0	-72.74	406.67	2.31	-70.43
NC1=CC=[NH+]C=C1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279663	0	46	0.0	-74.84	386.88	-0.88	-75.72
CCCC(C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025279667	0	55	0.0	-73.19	428.99	2.93	-70.26
C[NH+](C)C(C)(C)C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279670	0	52	0.0	-76.16	398.11	1.66	-74.50
CC(CC[NH+](C)C)C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279679	0	55	0.0	-77.32	438.82	3.05	-74.27
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C[NH+]3CC4CC4C3)CC21	REAL300025279739	0	51	0.0	-73.43	410.21	3.19	-70.24
C[N@@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279749	0	53	0.0	-69.86	417.80	2.66	-67.20
C[N@H+]1CCCCC1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279749	1	53	0.0	-69.92	418.69	2.83	-67.09
C[N@@H+]1CCC(=CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025279777	0	51	0.0	-77.98	417.17	2.73	-75.25
C[N@H+]1CCC(=CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025279777	1	51	0.0	-78.97	414.94	3.25	-75.72
[N-]=[N+]=NCC(=O)N1CC2CC(NC(=O)CSC3=NC(=O)NN3)C2C1	REAL300025279784	0	40	0.0	-25.10	353.92	-2.69	-27.79
CCC1C[NH+](CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025279800	0	53	0.0	-74.46	427.64	3.15	-71.31
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279805	0	50	0.0	-69.48	396.48	2.07	-67.41
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279805	1	50	0.0	-73.33	397.32	1.65	-71.68
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025279848	0	53	0.0	-75.18	424.91	3.03	-72.15
C[NH+](C)CCOCC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279865	0	53	0.0	-75.22	432.78	2.85	-72.37
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C[NH+]3CCCCC3)CC21	REAL300025279899	0	53	0.0	-73.33	420.58	3.04	-70.29
C[N@@H+]1CCCC(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025279900	0	53	0.0	-72.40	414.58	2.84	-69.56
C[N@H+]1CCCC(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025279900	1	53	0.0	-73.05	412.88	2.61	-70.44
CN1C=C[N+](CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)=C1	REAL300025279901	0	48	0.0	-72.64	407.96	5.25	-67.39
C[N@H+](CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CC1	REAL300025279911	0	50	0.0	-70.92	408.16	2.60	-68.32
C[N@@H+](CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CC1	REAL300025279911	1	50	0.0	-71.27	408.42	2.58	-68.69
CC(CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)C[NH+](C)C	REAL300025279919	0	55	0.0	-79.00	436.12	3.19	-75.81
C[NH+]1CC(CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025279969	0	50	0.0	-75.93	408.33	2.58	-73.35
C[NH+](C)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279976	0	46	0.0	-75.16	376.90	1.74	-73.42
C[N@H+](CCO)CCC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279986	0	53	0.0	-76.07	428.59	-0.70	-76.77
C[N@@H+](CCO)CCC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025279986	1	53	0.0	-75.27	429.31	-0.81	-76.08
C[C@@H](C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025279987	0	49	0.0	-71.84	393.58	1.45	-70.39
CC(C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+]1CC(C)C1	REAL300025280001	0	53	0.0	-65.04	424.91	3.18	-61.86
CC1CC[N@@H+]1CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025280002	1	50	0.0	-71.82	403.96	2.07	-69.75
CC1CC[N@H+]1CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025280002	1	50	0.0	-72.97	410.08	2.27	-70.70
C[NH+](C)CC=CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025280004	0	50	0.0	-78.76	415.47	2.38	-76.38
CC1(C)C[NH+](CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025280008	1	53	0.0	-73.75	425.61	2.91	-70.84
CC[NH+](CC)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025280024	0	52	0.0	-72.84	408.17	2.84	-70.00
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C[NH+]3CCC3)CC21	REAL300025280029	1	47	0.0	-74.29	388.91	1.59	-72.70
CC[NH+](CC)CCC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025280049	0	55	0.0	-76.67	430.50	3.39	-73.28
CC(C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+]1CCC1	REAL300025280078	1	50	0.0	-72.80	406.76	2.16	-70.64
C[NH+](C)CC(C)(C)C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025280082	0	55	0.0	-74.89	418.51	2.32	-72.57
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025280103	0	53	0.0	-74.92	410.99	2.53	-72.39
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025280103	1	53	0.0	-69.37	415.28	2.84	-66.53
C[NH+](C)CC(O)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025280113	0	53	0.0	-81.13	429.72	0.82	-80.31
C=CCC(C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025280125	0	53	0.0	-69.51	419.45	2.66	-66.85
NC(=[NH2+])SCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025280148	0	44	0.0	-77.43	386.92	-1.84	-79.27
CCC1C[NH+](CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025280208	1	53	0.0	-69.84	427.66	3.23	-66.61
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025280212	0	50	0.0	-65.93	401.45	2.38	-63.55
C[N@H+]1CCC[C@H]1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025280212	1	50	0.0	-68.38	395.08	1.93	-66.45
O=C(C[NH+]1CCCCC1)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025280219	0	53	0.0	-75.34	420.60	3.10	-72.24
CC1C(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)CC[N@@H+]1C	REAL300025280223	0	53	0.0	-75.04	419.30	2.56	-72.48
CC1C(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)CC[N@H+]1C	REAL300025280223	1	53	0.0	-76.79	416.31	2.42	-74.37
C[N@@H+]1CCCC1C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280376	0	53	0.0	-72.60	431.43	2.68	-69.92
C[N@H+]1CCCC1C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280376	1	53	0.0	-67.38	431.67	2.69	-64.69
CCC(C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025280479	0	55	0.0	-73.58	436.41	2.57	-71.01
CCC[N@H+](C)CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280484	0	55	0.0	-76.41	444.92	3.10	-73.31
CCC[N@@H+](C)CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280484	1	55	0.0	-76.41	444.92	3.09	-73.32
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280492	0	53	0.0	-71.95	424.38	2.18	-69.77
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280492	1	53	0.0	-73.20	431.92	2.77	-70.43
CC[NH+](CC)CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280497	0	55	0.0	-74.31	441.79	2.99	-71.32
CC[N@H+](C)CCC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280555	0	55	0.0	-77.73	445.78	2.90	-74.83
CC[N@@H+](C)CCC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280555	1	55	0.0	-77.32	445.78	2.85	-74.47
CC[C@@H](C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025280558	0	55	0.0	-72.66	435.73	2.73	-69.93
C[NH+](C)CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280576	0	49	0.0	-76.53	405.69	1.68	-74.85
CC(C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025280580	1	53	0.0	-68.65	434.14	2.61	-66.04
C[N@H+](CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025280587	0	53	0.0	-73.09	434.95	3.04	-70.05
C[N@@H+](CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025280587	1	53	0.0	-73.74	435.09	3.05	-70.69
C[NH+]1CC(CC(=O)NCC2CCC23CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025280593	0	53	0.0	-76.79	437.14	2.51	-74.28
C[C@@H](C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025280600	0	52	0.0	-70.81	422.25	2.07	-68.74
[N-]=[N+]=NCC(=O)NCC1CCC12CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025280603	0	43	0.0	-25.30	382.65	-2.77	-28.07
C[C@@H](C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025280622	0	52	0.0	-70.81	422.25	2.07	-68.74
O=C(C[NH+]1CCC1)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280640	1	50	0.0	-71.28	414.24	2.10	-69.18
C[C@H](C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025280651	0	52	0.0	-74.35	423.68	2.11	-72.24
CC1C[NH+](CC(=O)NCC2CCC23CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025280658	1	53	0.0	-76.66	435.63	2.85	-73.81
C[N@H+](CCO)CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280669	1	53	0.0	-70.88	432.49	-0.94	-71.82
C[N@@H+](CCO)CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280669	1	53	0.0	-76.80	433.55	-0.89	-77.69
CC[N@H+](C)CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280676	0	52	0.0	-70.55	422.14	2.30	-68.25
CC[N@@H+](C)CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280676	1	52	0.0	-76.01	423.42	2.35	-73.66
C[NH+](C)CC=CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280694	0	53	0.0	-80.17	441.65	2.90	-77.27
CC[N@@H+]1CCC1C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280700	1	53	0.0	-74.84	429.52	2.55	-72.29
CC[N@H+]1CCC1C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280700	1	53	0.0	-70.88	436.73	2.70	-68.18
C[NH+](C)C(C)(C)C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280714	0	55	0.0	-80.69	432.93	2.88	-77.81
C[NH+](C)C1(C(=O)NCC2CCC23CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025280737	0	53	0.0	-81.32	428.84	2.90	-78.42
CC(C[NH+](C)C)C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280759	0	55	0.0	-77.33	444.10	2.96	-74.37
CC1CC[N@@H+]1CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280770	1	53	0.0	-74.23	431.61	2.53	-71.70
CC1CC[N@H+]1CC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025280770	1	53	0.0	-75.20	437.05	2.76	-72.44
C[N@@H+]1CCCC1C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025280885	0	53	0.0	-71.46	429.35	2.57	-68.89
C[N@H+]1CCCC1C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025280885	1	53	0.0	-69.50	424.58	2.16	-67.34
CCC(C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025280959	0	55	0.0	-71.14	436.55	2.77	-68.37
CCC[N@H+](C)CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025280963	0	55	0.0	-66.69	443.51	3.07	-63.62
CCC[N@@H+](C)CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025280963	1	55	0.0	-72.93	444.91	3.08	-69.85
CC[N@H+](C)CCC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025280980	0	55	0.0	-75.81	445.79	2.88	-72.93
CC[N@@H+](C)CCC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025280980	1	55	0.0	-75.74	445.79	2.88	-72.86
CC[C@@H](C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025281021	0	55	0.0	-73.27	437.16	2.79	-70.48
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281067	0	53	0.0	-73.92	425.24	2.15	-71.77
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281067	1	53	0.0	-70.21	427.05	2.55	-67.66
C[C@@H](C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025281122	0	52	0.0	-72.34	423.11	2.03	-70.31
C[N@H+](CCO)CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281132	1	53	0.0	-66.82	432.36	-0.91	-67.73
C[N@@H+](CCO)CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281132	1	53	0.0	-73.98	432.25	-0.93	-74.91
CC1C[NH+](CC(=O)N2CC3(CCC3CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025281148	1	53	0.0	-74.02	435.76	2.81	-71.21
CC[N@H+](C)CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281166	0	52	0.0	-72.71	423.42	2.33	-70.38
CC[N@@H+](C)CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281166	1	52	0.0	-66.33	422.01	2.32	-64.01
CC(C[NH+](C)C)C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281199	0	55	0.0	-76.01	441.46	2.70	-73.31
C[NH+](C)C1(C(=O)N2CC3(CCC3CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025281202	0	53	0.0	-79.05	429.82	2.59	-76.46
C[C@H](C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025281206	0	52	0.0	-71.12	423.81	2.05	-69.07
CC[N@@H+]1CCC1C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281209	1	53	0.0	-74.60	437.44	2.67	-71.93
CC[N@H+]1CCC1C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281209	1	53	0.0	-71.69	428.46	2.23	-69.46
C[NH+](C)C(C)(C)C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281218	0	55	0.0	-76.97	428.05	2.71	-74.26
[N-]=[N+]=NCC(=O)N1CC2(CCC2CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025281267	0	43	0.0	-27.37	381.94	-2.75	-30.12
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281280	0	53	0.0	-66.90	428.79	2.51	-64.39
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281280	1	53	0.0	-67.76	424.87	2.10	-65.66
C[N@H+](CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025281317	0	53	0.0	-71.41	435.44	3.08	-68.33
C[N@@H+](CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025281317	1	53	0.0	-70.60	435.11	3.07	-67.53
C[NH+]1CC(CC(=O)N2CC3(CCC3CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025281345	0	53	0.0	-64.86	436.51	2.48	-62.38
C[NH+](C)CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281348	0	49	0.0	-73.53	405.69	1.66	-71.87
C[C@@H](C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025281351	0	52	0.0	-72.34	423.11	2.03	-70.31
CC1CC[N@@H+]1CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281360	1	53	0.0	-72.51	435.73	2.71	-69.80
CC1CC[N@H+]1CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281360	1	53	0.0	-68.41	436.87	2.75	-65.66
C[NH+](C)CC=CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281361	0	53	0.0	-79.82	441.40	2.86	-76.96
CC[NH+](CC)CC(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025281367	0	55	0.0	-71.36	437.28	2.73	-68.63
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC12CN(C(=O)C[NH+]1CCC1)C2	REAL300025281368	1	50	0.0	-73.56	415.98	2.13	-71.43
CC(C(=O)N1CC2(CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025281391	1	53	0.0	-68.67	435.95	2.64	-66.03
NC(=[NH2+])SCC(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025281431	0	47	0.0	-78.24	413.61	-1.41	-79.65
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025281463	0	53	0.0	-72.20	431.51	2.68	-69.52
C[N@H+]1CCC[C@H]1C(=O)NCC1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025281463	1	53	0.0	-75.32	425.55	2.25	-73.07
COCC1(CNC(=O)C[NH+](C)C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025281569	0	52	0.0	-69.99	414.38	2.66	-67.33
COCC1(CNC(=O)CN=[N+]=[N-])CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025281575	0	46	0.0	-26.03	388.73	-1.81	-27.84
COCC1(CNC(=O)CSC2=NC(=O)NN2)CCCN1C(=O)CN=[N+]=[N-]	REAL300025281746	0	46	0.0	-25.31	388.69	-1.81	-27.12
COCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+](C)C	REAL300025281764	0	52	0.0	-72.23	416.56	1.04	-71.19
COCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CCC1	REAL300025281772	1	53	0.0	-72.32	426.70	1.49	-70.83
CC1CN(C(=O)C2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025281948	0	49	0.0	-69.67	382.72	3.07	-66.60
CC1CN(C(=O)C2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025281948	1	49	0.0	-69.28	383.17	3.03	-66.25
CC1CN(C(=O)C2C[N@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025281972	1	50	0.0	-73.97	387.34	2.33	-71.64
CC1CN(C(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025281972	1	50	0.0	-74.63	383.06	2.05	-72.58
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282116	0	55	0.0	-68.65	404.50	4.02	-64.63
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282116	1	55	0.0	-66.59	416.46	3.88	-62.71
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282139	1	47	0.0	-69.47	390.80	3.88	-65.59
CC1CN(C(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282159	0	53	0.0	-76.26	394.74	3.47	-72.79
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@@H+]1C	REAL300025282187	0	52	0.0	-76.08	392.52	3.01	-73.07
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@H+]1C	REAL300025282187	1	52	0.0	-75.10	398.71	3.37	-71.73
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@@H+]1C	REAL300025282189	0	55	0.0	-73.64	413.21	3.55	-70.09
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@H+]1C	REAL300025282189	1	55	0.0	-70.84	414.46	3.98	-66.86
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025282194	1	53	0.0	-72.38	401.13	2.70	-69.68
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025282194	1	53	0.0	-74.82	402.65	2.96	-71.86
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282239	0	55	0.0	-68.82	415.01	4.02	-64.80
CC1CN(C(=O)CCC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282241	0	55	0.0	-73.37	430.44	4.77	-68.60
CC1CN(C(=O)CC[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282244	0	55	0.0	-73.65	421.36	4.46	-69.19
CC[N@@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282247	0	55	0.0	-69.37	407.56	3.88	-65.49
CC[N@H+]1CCCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282247	1	55	0.0	-68.72	404.57	3.67	-65.05
CC1CN(C(=O)C2([NH+](C)C)CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282257	0	52	0.0	-72.62	383.60	2.93	-69.69
CC(C)[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025282263	0	54	0.0	-69.16	399.11	3.42	-65.74
CC1CN(C(=O)C[N@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282281	0	52	0.0	-70.86	403.51	3.94	-66.92
CC1CN(C(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282281	1	52	0.0	-70.85	403.57	3.93	-66.92
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282335	1	51	0.0	-69.21	402.48	3.75	-65.46
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282335	1	51	0.0	-70.24	410.05	4.38	-65.86
CC1CN(C(=O)CCC2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282340	0	55	0.0	-72.32	423.38	4.33	-67.99
CC1CN(C(=O)CCC2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282340	1	55	0.0	-75.25	424.82	4.51	-70.74
CC1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282356	0	52	0.0	-76.04	405.83	3.86	-72.18
CC1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282383	0	52	0.0	-70.83	390.04	3.23	-67.60
CC1CN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282383	1	52	0.0	-71.08	390.79	3.31	-67.77
CC1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282436	1	53	0.0	-77.01	412.65	2.02	-74.99
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282448	1	47	0.0	-71.84	386.11	4.27	-67.57
CC1CN(C(=O)C23CCC[NH+]2CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282464	0	53	0.0	-69.76	386.67	3.25	-66.51
CC1CN(C(=O)CC2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282469	0	52	0.0	-73.86	404.12	3.64	-70.22
CC1CN(C(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282469	1	52	0.0	-74.44	403.77	3.63	-70.81
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025282475	0	51	0.0	-69.10	384.33	2.86	-66.24
CC1CN(C(=O)CCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282522	0	54	0.0	-74.46	426.71	4.44	-70.02
CC(C)C(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025282533	0	54	0.0	-69.07	399.05	3.40	-65.67
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282534	0	54	0.0	-74.96	418.95	3.98	-70.98
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282534	1	54	0.0	-74.92	418.95	3.98	-70.94
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282537	0	51	0.0	-72.94	396.62	3.37	-69.57
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282537	1	51	0.0	-72.93	396.61	3.38	-69.55
CC1CN(C(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282550	0	53	0.0	-72.96	390.95	2.85	-70.11
CC1CN(C(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282550	1	53	0.0	-78.25	387.78	2.92	-75.33
CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282572	0	49	0.0	-68.43	379.81	2.79	-65.64
CC1CN(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282572	1	49	0.0	-72.79	377.62	2.70	-70.09
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282599	0	51	0.0	-71.77	392.94	3.32	-68.45
CC1CC[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC1	REAL300025282652	0	55	0.0	-73.21	419.94	4.46	-68.75
CC1CN(C(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282670	0	52	0.0	-71.25	409.33	3.82	-67.43
CC1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282716	0	52	0.0	-76.04	405.83	3.86	-72.18
CC(C)[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025282731	0	54	0.0	-70.55	399.21	3.74	-66.81
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](CC)CC	REAL300025282758	0	57	0.0	-66.23	421.47	4.42	-61.81
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282788	0	51	0.0	-74.22	397.45	3.23	-70.99
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282788	1	51	0.0	-74.95	401.50	3.54	-71.41
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282811	0	52	0.0	-70.02	400.01	3.64	-66.38
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025282811	1	52	0.0	-70.88	406.51	4.03	-66.85
CC1CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025282812	0	52	0.0	-72.82	406.71	3.93	-68.89
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025282812	1	52	0.0	-72.05	403.46	3.69	-68.36
CC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282814	0	55	0.0	-72.82	426.42	4.51	-68.31
CC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282814	1	55	0.0	-73.13	426.93	4.51	-68.62
CC1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282815	0	57	0.0	-72.43	427.73	4.55	-67.88
CC1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282815	1	57	0.0	-72.79	425.19	4.36	-68.43
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025282822	0	51	0.0	-68.24	381.75	2.79	-65.45
CC1CN(C(=O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282894	0	45	0.0	-73.41	357.39	1.96	-71.45
CC1CN(C(=O)C[NH+]2CCCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282897	0	55	0.0	-72.15	408.54	4.01	-68.14
CC1CN(C(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282900	0	47	0.0	-71.07	392.64	5.79	-65.28
CC1CN(C(=O)C2CCC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282904	0	52	0.0	-66.38	392.08	3.55	-62.83
CC1CN(C(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282904	1	52	0.0	-73.73	405.51	3.80	-69.93
CC1CN(C(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282909	0	53	0.0	-70.56	413.18	4.18	-66.38
CC1CN(C(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282909	1	53	0.0	-66.27	407.71	4.14	-62.13
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+]1CCC1	REAL300025282921	1	49	0.0	-70.18	376.58	2.52	-67.66
CCC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C[NH+](C)C	REAL300025282925	0	57	0.0	-77.74	436.29	4.93	-72.81
CC1CN(C(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282930	0	54	0.0	-70.59	396.50	3.38	-67.21
CC1CN(C(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282941	1	53	0.0	-77.21	410.21	0.49	-76.72
CC1CN(C(=O)C[N@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282942	0	49	0.0	-70.35	386.79	3.37	-66.98
CC1CN(C(=O)C[N@@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282942	1	49	0.0	-70.54	390.66	3.68	-66.86
CC1CN(C(=O)CC2C[NH+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282956	0	49	0.0	-73.82	388.64	2.85	-70.97
CC1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282966	0	55	0.0	-69.32	395.73	3.01	-66.31
CC1CN(C(=O)C2CC[N@H+]2C(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282966	1	55	0.0	-68.83	399.67	2.93	-65.90
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025282976	0	48	0.0	-70.03	372.84	2.30	-67.73
CC1CN(C(=O)CN=[N+]=[N-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300025282983	0	39	0.0	-23.85	338.31	-2.15	-26.00
CC1CN(C(=O)CN2C=CSC2=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283025	0	45	0.0	-69.45	388.46	2.45	-67.00
CC1CN(C(=O)CC[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283030	0	52	0.0	-73.81	407.80	0.03	-73.78
CC1CN(C(=O)CC[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283030	1	52	0.0	-73.68	407.80	0.01	-73.67
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025283031	0	48	0.0	-70.03	372.84	2.30	-67.73
CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283034	0	52	0.0	-69.51	400.67	3.78	-65.73
CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283034	1	52	0.0	-71.24	394.03	3.50	-67.74
CC1CN(C(=O)C[NH+]2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283079	1	46	0.0	-72.98	367.70	2.42	-70.56
CC1CN(C(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283093	0	50	0.0	-75.53	394.18	3.58	-71.95
CC1CN(C(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283093	1	50	0.0	-76.09	398.05	3.84	-72.25
CC1CN(C(=O)COCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283113	0	52	0.0	-71.93	413.26	3.09	-68.84
C=CCC(C)(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025283124	0	55	0.0	-65.88	402.48	3.43	-62.45
CC1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283141	0	53	0.0	-69.62	398.28	-0.63	-70.25
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025283158	1	49	0.0	-73.78	392.70	3.37	-70.41
CC1CN(C(=O)C[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283175	1	49	0.0	-73.31	385.47	-0.60	-73.91
CC1CN(C(=O)C[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283175	1	49	0.0	-73.11	385.30	-0.62	-73.73
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025283194	0	55	0.0	-71.05	411.66	4.24	-66.81
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025283194	1	55	0.0	-76.06	418.96	4.18	-71.88
CC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C[NH+](C)C	REAL300025283196	0	54	0.0	-73.95	414.57	4.02	-69.93
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025283199	0	48	0.0	-72.61	375.12	2.63	-69.98
CC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025283199	1	48	0.0	-72.66	375.09	2.65	-70.01
CC[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C1CC1	REAL300025283223	0	52	0.0	-68.90	405.95	4.00	-64.90
CC[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)C1CC1	REAL300025283223	1	52	0.0	-69.73	403.24	3.96	-65.77
CC[NH+](CC)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025283231	0	54	0.0	-74.28	414.95	3.96	-70.32
CC1CN(C(=O)C=C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283238	0	53	0.0	-73.22	410.26	4.32	-68.90
CC1CN(C(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283245	1	52	0.0	-72.96	407.77	3.53	-69.43
CC1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283261	0	53	0.0	-74.12	417.90	0.67	-73.45
CC1CN(C(=O)C[N@H+]2CCC(C)(O)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283261	1	53	0.0	-71.86	413.46	0.38	-71.48
CC1CN(C(=O)C=CC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283264	0	49	0.0	-76.51	393.50	3.24	-73.27
COCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025283277	1	52	0.0	-73.01	407.55	1.78	-71.23
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025283277	1	52	0.0	-73.52	407.72	1.80	-71.72
CC1CN(C(=O)C2([NH+](C)C)CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283294	0	55	0.0	-69.96	387.06	3.13	-66.83
CC(CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025283296	0	54	0.0	-75.10	410.18	3.75	-71.35
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025283302	1	49	0.0	-70.92	383.01	2.83	-68.09
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025283302	1	49	0.0	-70.41	384.64	2.88	-67.53
CC1CN(C(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283312	0	53	0.0	-69.81	407.21	0.81	-69.00
CC1CN(C(=O)C[N@H+]2CCCC2CO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283312	1	53	0.0	-71.79	407.01	0.06	-71.73
CC1CN(C(=O)C2(C)CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283328	0	55	0.0	-70.88	405.52	3.50	-67.38
C=CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025283344	0	52	0.0	-68.14	396.84	3.33	-64.81
CC1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283351	0	55	0.0	-69.73	419.58	3.90	-65.83
CC1CN(C(=O)C2CC(C)(C)C[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283351	1	55	0.0	-69.33	427.56	4.36	-64.97
CC1CN(C(=O)CCCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283353	0	57	0.0	-72.87	444.25	4.93	-67.94
CC1CN(C(=O)C[NH+]2CC3CC3C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283358	0	50	0.0	-73.69	396.87	4.17	-69.52
CCCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025283370	0	54	0.0	-70.00	405.83	3.64	-66.36
CC1CN(C(=O)C(C)(C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283373	0	51	0.0	-70.44	376.32	2.36	-68.08
CC1CN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283396	0	52	0.0	-70.83	390.04	3.23	-67.60
CC1CN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283396	1	52	0.0	-71.08	390.79	3.31	-67.77
CC1CN(C(=O)CC2=CC[N@H+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283415	0	53	0.0	-71.71	420.52	4.64	-67.07
CC1CN(C(=O)CC2=CC[N@@H+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283415	1	53	0.0	-70.26	420.53	4.65	-65.61
CC1CN(C(=O)C=CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283445	0	53	0.0	-75.36	418.58	4.41	-70.95
CC1CN(C(=O)C2([NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283471	0	49	0.0	-72.64	382.92	2.71	-69.93
CC1CN(C(=O)CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283472	0	52	0.0	-73.65	405.69	3.75	-69.90
CC1CN(C(=O)C2C[NH+]3CCN2CC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283493	0	52	0.0	-77.98	389.56	0.04	-77.94
CC1CN(C(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283497	0	50	0.0	-71.43	388.06	3.19	-68.24
CC1CN(C(=O)C23CC(C2)C[N@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283497	1	50	0.0	-71.28	388.25	3.30	-67.98
CC1CN(C(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283502	0	53	0.0	-71.42	407.95	4.36	-67.06
CC1CN(C(=O)C[N@H+]2CC3CCC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283502	1	53	0.0	-70.48	405.50	4.17	-66.31
CC1CN(C(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283537	1	51	0.0	-69.83	400.57	4.12	-65.71
CC1CN(C(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283537	1	51	0.0	-68.89	396.75	3.86	-65.03
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025283567	0	51	0.0	-73.67	396.10	3.15	-70.52
CC1CN(C(=O)CC2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283606	0	55	0.0	-65.88	409.11	4.08	-61.80
CC1CN(C(=O)CC2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283606	1	55	0.0	-67.59	413.13	4.36	-63.23
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+]1CC(C)C1	REAL300025283615	0	52	0.0	-69.49	403.63	3.38	-66.11
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025283617	1	49	0.0	-71.13	387.15	3.07	-68.06
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025283617	1	49	0.0	-71.31	387.12	3.06	-68.25
CC1CN(C(=O)CC(O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283619	0	52	0.0	-77.01	409.93	1.06	-75.95
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)O1	REAL300025283636	1	53	0.0	-83.50	407.79	2.81	-80.69
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)O1	REAL300025283636	1	53	0.0	-74.26	408.48	3.06	-71.20
CC1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283674	0	52	0.0	-72.86	410.61	3.98	-68.88
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025283678	0	54	0.0	-73.47	420.53	4.00	-69.47
CC1CN(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283693	1	54	0.0	-71.80	416.41	1.46	-70.34
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300025283863	0	49	0.0	-70.42	375.93	2.48	-67.94
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C	REAL300025283863	1	49	0.0	-71.59	376.21	2.49	-69.10
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300025284036	1	53	0.0	-77.07	412.70	2.04	-75.03
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300025284062	0	52	0.0	-74.02	407.61	3.92	-70.10
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300025284062	1	52	0.0	-74.86	407.78	3.91	-70.95
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025284068	0	51	0.0	-69.59	389.60	3.19	-66.40
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCC[NH+](C)C	REAL300025284098	0	54	0.0	-74.21	426.77	4.46	-69.75
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284110	0	54	0.0	-75.31	423.00	4.29	-71.02
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284110	1	54	0.0	-74.89	418.98	3.97	-70.92
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284112	0	51	0.0	-73.02	396.63	3.38	-69.64
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284112	1	51	0.0	-73.34	400.63	3.69	-69.65
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300025284122	0	53	0.0	-77.45	391.58	2.96	-74.49
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300025284122	1	53	0.0	-73.09	394.98	3.10	-69.99
CC1CC[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC1	REAL300025284145	0	55	0.0	-73.45	423.96	4.75	-68.70
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300025284173	0	52	0.0	-71.43	402.19	3.39	-68.04
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284187	0	51	0.0	-73.82	397.45	3.27	-70.55
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284187	1	51	0.0	-74.14	397.49	3.24	-70.90
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300025284198	0	53	0.0	-76.59	398.82	3.78	-72.81
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025284228	0	52	0.0	-75.56	398.18	3.43	-72.13
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](CC)CC	REAL300025284305	0	57	0.0	-65.80	424.05	4.47	-61.33
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284313	0	52	0.0	-69.54	400.11	3.66	-65.88
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284313	1	52	0.0	-70.27	406.57	4.05	-66.22
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284339	0	55	0.0	-68.03	407.47	4.09	-63.94
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284339	1	55	0.0	-67.10	412.33	3.84	-63.26
CC1CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025284353	0	52	0.0	-72.41	407.42	3.99	-68.42
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025284353	1	52	0.0	-72.40	407.37	3.97	-68.43
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025284355	0	55	0.0	-72.00	422.63	4.21	-67.79
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300025284355	1	55	0.0	-72.28	426.37	4.51	-67.77
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300025284356	0	57	0.0	-72.54	427.37	4.51	-68.03
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300025284356	1	57	0.0	-72.43	425.95	4.40	-68.03
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025284362	0	51	0.0	-68.57	386.22	3.09	-65.48
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284434	1	47	0.0	-68.98	385.79	3.53	-65.45
CC[N@@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025284472	1	53	0.0	-73.98	399.71	2.49	-71.49
CC[N@H+]1CCOC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025284472	1	53	0.0	-79.80	413.01	3.20	-76.60
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284486	1	47	0.0	-71.16	387.16	4.30	-66.86
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@@H+]1C	REAL300025284490	0	52	0.0	-73.76	397.50	3.53	-70.23
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@H+]1C	REAL300025284490	1	52	0.0	-74.35	399.49	3.25	-71.10
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@@H+]1C	REAL300025284492	0	55	0.0	-72.97	414.57	3.64	-69.33
CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@H+]1C	REAL300025284492	1	55	0.0	-71.26	413.06	3.94	-67.32
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284496	0	55	0.0	-67.98	414.22	3.85	-64.13
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300025284498	0	55	0.0	-72.53	427.22	4.55	-67.98
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300025284501	0	55	0.0	-74.03	425.41	4.76	-69.27
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300025284567	0	52	0.0	-70.78	403.47	3.96	-66.82
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300025284567	1	52	0.0	-70.91	407.58	4.23	-66.68
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025284589	0	52	0.0	-75.56	398.18	3.43	-72.13
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300025284606	0	49	0.0	-68.99	378.60	2.73	-66.26
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300025284606	1	49	0.0	-71.21	380.30	2.77	-68.44
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1CCC[N@@H+]1C	REAL300025284624	0	55	0.0	-71.88	423.40	4.34	-67.54
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1CCC[N@H+]1C	REAL300025284624	1	55	0.0	-74.70	424.75	4.53	-70.17
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@@H+]1C	REAL300025284714	0	52	0.0	-73.77	398.58	3.74	-70.03
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@H+]1C	REAL300025284714	1	52	0.0	-75.10	402.87	3.51	-71.59
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025284753	0	55	0.0	-69.03	403.50	3.17	-65.86
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300025284753	1	55	0.0	-69.68	401.44	3.34	-66.34
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025284766	0	48	0.0	-70.74	377.47	2.65	-68.09
C=CCC(C)(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025284778	0	55	0.0	-65.96	405.63	3.67	-62.29
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCC1	REAL300025284790	0	52	0.0	-73.33	405.69	3.77	-69.56
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CCO	REAL300025284798	1	49	0.0	-73.80	389.48	-0.30	-74.10
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CCO	REAL300025284798	1	49	0.0	-72.88	385.42	-0.58	-73.46
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300025284839	0	53	0.0	-71.35	420.50	4.63	-66.72
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300025284839	1	53	0.0	-69.56	416.63	4.34	-65.22
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025284878	1	49	0.0	-72.74	388.62	3.09	-69.65
CC[N@@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025284882	0	55	0.0	-65.65	409.35	4.28	-61.37
CC[N@H+]1CCCC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025284882	1	55	0.0	-71.56	418.16	4.10	-67.46
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300025284892	0	53	0.0	-66.82	410.52	4.27	-62.55
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300025284892	1	53	0.0	-67.04	410.48	4.41	-62.63
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300025284909	0	53	0.0	-75.22	422.63	4.71	-70.51
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025284937	0	48	0.0	-72.35	375.08	2.63	-69.72
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC2C=CC1C2	REAL300025284963	0	51	0.0	-70.59	396.78	3.96	-66.63
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025284963	1	51	0.0	-71.15	400.48	4.23	-66.92
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300025284963	1	51	0.0	-71.15	400.48	4.23	-66.92
COCCN(C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285028	0	52	0.0	-72.93	411.51	2.10	-70.83
COCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285028	1	52	0.0	-73.49	407.73	1.80	-71.69
COCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285028	1	52	0.0	-73.49	407.73	1.80	-71.69
CC(CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025285031	0	54	0.0	-71.59	414.44	3.75	-67.84
CC[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300025285043	0	52	0.0	-69.74	403.41	3.92	-65.82
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300025285071	0	53	0.0	-69.88	406.00	4.20	-65.68
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300025285071	1	53	0.0	-69.88	406.00	4.20	-65.68
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285083	0	51	0.0	-74.57	398.18	3.35	-71.22
CCN1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285106	0	49	0.0	-70.48	383.02	2.80	-67.68
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285106	1	49	0.0	-71.40	387.87	2.86	-68.54
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285106	1	49	0.0	-71.40	387.87	2.86	-68.54
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285111	0	57	0.0	-70.03	425.72	2.90	-67.13
CCCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025285139	0	54	0.0	-70.51	411.09	3.94	-66.57
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285154	0	54	0.0	-74.27	419.82	3.97	-70.30
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025285198	0	55	0.0	-69.63	416.31	3.54	-66.09
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300025285198	1	55	0.0	-70.64	416.34	3.64	-67.00
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCCC[NH+](C)C	REAL300025285200	0	57	0.0	-73.16	448.26	5.24	-67.92
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC[NH+](C)CC1	REAL300025285207	1	54	0.0	-72.28	420.73	1.77	-70.51
CC1C[N@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)O1	REAL300025285243	1	53	0.0	-81.64	404.42	2.40	-79.24
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)O1	REAL300025285243	1	53	0.0	-81.66	415.47	3.22	-78.44
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300025285269	0	50	0.0	-73.19	395.92	4.10	-69.09
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300025285282	0	52	0.0	-68.32	401.74	3.87	-64.45
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300025285282	1	52	0.0	-70.97	394.04	3.47	-67.50
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300025285328	0	50	0.0	-74.75	394.26	3.57	-71.18
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300025285328	1	50	0.0	-75.00	394.31	3.55	-71.45
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300025285330	0	48	0.0	-71.58	397.11	1.54	-70.04
CC1CN(C(=O)CSC2=NC(=O)NN2)CCN1C(=O)CN=[N+]=[N-]	REAL300025285349	0	39	0.0	-24.14	338.37	-2.13	-26.27
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025285381	0	49	0.0	-70.32	379.96	2.80	-67.52
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300025285381	1	49	0.0	-68.25	379.72	2.76	-65.49
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025285448	0	52	0.0	-71.76	406.65	3.71	-68.05
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300025285455	0	53	0.0	-66.70	403.66	4.02	-62.68
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC=CC[N@H+]1C	REAL300025285455	1	53	0.0	-67.36	403.56	4.04	-63.32
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)COCC[NH+](C)C	REAL300025285482	0	52	0.0	-71.79	417.27	3.41	-68.38
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300025285499	0	45	0.0	-68.45	384.45	2.14	-66.31
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300025285543	0	52	0.0	-72.53	398.54	3.37	-69.16
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300025285543	1	52	0.0	-72.53	398.54	3.37	-69.16
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300025285544	0	55	0.0	-72.60	410.59	4.36	-68.24
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300025285547	0	47	0.0	-70.23	392.62	5.78	-64.45
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300025285564	0	49	0.0	-70.14	386.76	3.39	-66.75
CC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300025285581	0	54	0.0	-73.61	414.62	4.02	-69.59
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCCN1C	REAL300025285598	0	53	0.0	-69.24	400.57	1.69	-67.55
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCC[N@@H+]1C	REAL300025285598	1	53	0.0	-77.78	407.75	1.84	-75.94
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCC[N@H+]1C	REAL300025285598	1	53	0.0	-77.78	407.75	1.84	-75.94
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300025285645	0	53	0.0	-73.35	417.75	0.64	-72.71
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1C[NH+](C)C1	REAL300025285666	0	49	0.0	-73.46	388.81	2.85	-70.61
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[N@H+](C)CCO	REAL300025285688	0	52	0.0	-73.24	407.64	0.04	-73.20
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[N@@H+](C)CCO	REAL300025285688	1	52	0.0	-73.24	407.64	0.04	-73.20
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CCCC[N@@H+]1C	REAL300025285699	0	55	0.0	-66.15	413.13	4.38	-61.77
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CCCC[N@H+]1C	REAL300025285699	1	55	0.0	-66.15	413.13	4.38	-61.77
CC1CCN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285710	0	49	0.0	-70.75	387.17	3.07	-67.68
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285710	1	49	0.0	-72.04	392.69	3.32	-68.72
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285710	1	49	0.0	-72.04	392.69	3.32	-68.72
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+](C)C	REAL300025285714	0	49	0.0	-75.31	392.19	3.19	-72.12
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC(C)(C)C1	REAL300025285718	0	52	0.0	-73.30	411.78	3.83	-69.47
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300025285718	1	52	0.0	-73.30	411.78	3.83	-69.47
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCCC1CO	REAL300025285749	0	53	0.0	-68.54	403.12	0.49	-68.05
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285751	0	51	0.0	-71.06	388.92	3.04	-68.02
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CCC1	REAL300025285760	0	46	0.0	-72.83	367.65	2.46	-70.37
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC1	REAL300025285760	1	46	0.0	-72.83	367.65	2.46	-70.37
CC[NH+](CC)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025285782	0	54	0.0	-73.82	415.00	3.97	-69.85
CCC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300025285825	0	57	0.0	-78.11	436.33	4.95	-73.16
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025285850	0	52	0.0	-70.85	389.69	3.23	-67.62
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC(O)C[NH+](C)C	REAL300025285866	0	52	0.0	-77.41	413.88	1.35	-76.06
C=CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025285886	0	52	0.0	-68.76	402.85	3.66	-65.10
CC1CN(C(=O)CSC(N)=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025285912	0	43	0.0	-74.06	365.31	-1.00	-75.06
CC1CN(C(=O)C2(CC[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025285935	0	55	0.0	-72.67	432.67	4.59	-68.08
CC1CN(C(=O)CC2CC=CC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025285936	0	53	0.0	-66.48	403.65	4.01	-62.47
CC1CN(C(=O)CC2CC=CC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025285936	1	53	0.0	-66.48	403.65	4.01	-62.47
CCC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025286017	0	52	0.0	-73.84	410.05	3.81	-70.03
CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025286022	1	49	0.0	-68.58	381.77	2.82	-65.76
CC1CN(C(=O)C[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025286039	0	52	0.0	-72.30	399.12	3.83	-68.47
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@@H+]1C	REAL300025286044	0	52	0.0	-71.31	403.95	3.58	-67.73
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)CC[N@H+]1C	REAL300025286044	1	52	0.0	-72.98	397.84	3.24	-69.74
CC1CN(C(=O)CC2COCCN2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025286072	0	53	0.0	-70.82	404.62	1.98	-68.84
CC1CN(C(=O)CC2COCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025286072	1	53	0.0	-70.90	404.54	1.96	-68.94
CC1CN(C(=O)CC2COCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025286072	1	53	0.0	-70.82	404.62	1.98	-68.84
CCOCC(N=[N+]=[N-])C(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)C(C)C1	REAL300025286079	0	49	0.0	-22.80	411.67	-1.56	-24.36
C[N@@H+]1CCCC1C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286292	0	52	0.0	-57.24	403.91	2.64	-54.60
C[N@H+]1CCCC1C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286292	1	52	0.0	-59.59	402.89	2.66	-56.93
CC1=[NH+]C=CN1CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286452	1	50	0.0	-59.54	406.22	3.18	-56.36
C[C@@H]1[C@H](C(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025286468	0	55	0.0	-73.94	409.47	3.37	-70.57
C[C@@H]1[C@H](C(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025286468	1	55	0.0	-67.50	420.63	2.85	-64.65
C[N@H+](CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025286491	0	55	0.0	-57.44	424.04	3.58	-53.86
C[N@@H+](CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025286491	1	55	0.0	-59.35	423.95	3.57	-55.78
C[NH+]1CCC(C(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025286514	0	55	0.0	-69.59	422.41	3.25	-66.34
CC1=C[NH+]=CN1CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286529	1	50	0.0	-57.57	407.58	3.94	-53.63
C[N@@H+]1CCC(CC(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025286536	0	55	0.0	-62.43	424.40	3.21	-59.22
C[N@H+]1CCC(CC(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025286536	1	55	0.0	-61.99	424.21	3.21	-58.78
CCC(C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025286539	0	54	0.0	-61.06	408.24	2.61	-58.45
C[NH+](C)CCCCC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286550	0	57	0.0	-66.47	443.19	3.72	-62.75
CCC[N@H+](C)CCC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286553	0	57	0.0	-63.48	439.42	3.54	-59.94
CCC[N@@H+](C)CCC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286553	1	57	0.0	-63.43	439.42	3.54	-59.89
CCC[N@H+](C)CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286554	0	54	0.0	-60.41	417.05	3.01	-57.40
CCC[N@@H+](C)CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286554	1	54	0.0	-59.95	417.05	3.01	-56.94
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286566	0	52	0.0	-64.55	397.78	2.14	-62.41
C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286566	1	52	0.0	-57.38	402.88	2.66	-54.72
CC[NH+](CC)CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286574	0	54	0.0	-58.33	409.41	2.68	-55.65
C[NH+](C)CC1(C(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025286619	0	55	0.0	-64.62	424.69	3.70	-60.92
C[NH+]1CCC(C(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025286633	0	55	0.0	-69.59	422.41	3.25	-66.34
CC[N@H+](C)CCC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286658	0	54	0.0	-62.54	417.92	2.80	-59.74
CC[N@@H+](C)CCC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286658	1	54	0.0	-62.59	417.92	2.80	-59.79
CC1CCC[N@@H+]1CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286666	0	55	0.0	-57.09	416.50	2.98	-54.11
CC1CCC[N@H+]1CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286666	1	55	0.0	-57.88	416.55	2.99	-54.89
CC1CC[N@H+](CC(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025286667	0	55	0.0	-58.64	424.11	3.26	-55.38
CC1CC[N@@H+](CC(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025286667	1	55	0.0	-59.90	423.15	3.28	-56.62
CC[C@@H](C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025286669	0	54	0.0	-61.85	410.35	3.13	-58.72
C[NH+](C)CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286697	0	48	0.0	-60.55	377.82	1.60	-58.95
CN1C=C[N+](CC(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025286698	0	50	0.0	-56.92	409.06	5.11	-51.81
C[N@@H+]1CCCC(C(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025286701	0	55	0.0	-52.00	408.96	3.25	-48.75
C[N@H+]1CCCC(C(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025286701	1	55	0.0	-58.37	416.15	3.43	-54.94
CC(C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025286707	1	52	0.0	-61.92	408.16	2.60	-59.32
C[N@H+](CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025286716	0	52	0.0	-58.66	407.24	3.01	-55.65
C[N@@H+](CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025286716	1	52	0.0	-57.59	407.23	3.01	-54.58
C[NH+]1CC(CC(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025286725	0	52	0.0	-64.95	409.27	2.41	-62.54
C[C@@H](C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025286737	0	51	0.0	-61.96	395.94	2.00	-59.96
CC1(NC(=O)CN=[N+]=[N-])CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025286744	0	42	0.0	-24.03	354.79	-2.81	-26.84
C[C@@H](C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025286770	0	51	0.0	-61.96	395.94	2.00	-59.96
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286773	0	55	0.0	-59.88	402.81	2.78	-57.10
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286773	1	55	0.0	-53.53	416.92	3.20	-50.33
CC1(NC(=O)C[NH+]2CCC2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286797	1	49	0.0	-60.21	387.93	2.01	-58.20
C[N@@H+]1CCC(=CC(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025286804	0	53	0.0	-66.14	415.73	3.16	-62.98
C[N@H+]1CCC(=CC(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025286804	1	53	0.0	-64.96	416.66	3.14	-61.82
C[C@H](C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025286819	0	51	0.0	-56.22	392.88	2.02	-54.20
CC1C[NH+](CC(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025286834	1	52	0.0	-60.25	407.90	2.76	-57.49
C[N@H+](CCO)CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286846	1	52	0.0	-59.51	405.91	-0.97	-60.48
C[N@@H+](CCO)CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286846	1	52	0.0	-61.50	405.68	-0.97	-62.47
CC(CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025286856	0	57	0.0	-62.99	435.01	3.60	-59.39
CC[N@H+](C)CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286858	0	51	0.0	-60.00	395.55	2.27	-57.73
CC[N@@H+](C)CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286858	1	51	0.0	-59.66	395.55	2.27	-57.39
CC[N@H+](CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025286867	0	55	0.0	-57.64	426.42	3.63	-54.01
CC[N@@H+](CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025286867	1	55	0.0	-58.05	424.19	3.58	-54.47
CC[NH+](CC)CCC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286872	0	57	0.0	-61.76	431.43	3.23	-58.53
CC1(C)C[NH+](CC(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025286880	1	55	0.0	-60.54	428.63	3.27	-57.27
C[NH+](C)CC=CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286885	0	52	0.0	-68.41	413.78	2.81	-65.60
CC(CCC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025286898	0	57	0.0	-63.60	435.11	3.32	-60.28
CC[N@@H+]1CCC1C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286902	1	52	0.0	-61.81	401.67	2.44	-59.37
CC[N@H+]1CCC1C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286902	1	52	0.0	-60.27	409.47	2.62	-57.65
C=CCC(C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025286920	0	55	0.0	-60.38	421.50	3.09	-57.29
CC1(NC(=O)C[NH+]2CC3CC3C2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286927	0	53	0.0	-59.84	413.29	3.50	-56.34
CCCC(C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025286931	0	57	0.0	-56.46	429.90	3.51	-52.95
C[N@@H+]1CCCCC1C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286941	0	55	0.0	-59.98	402.77	2.78	-57.20
C[N@H+]1CCCCC1C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286941	1	55	0.0	-59.91	402.72	2.79	-57.12
CC1(NC(=O)CC[NH+]2CCCC2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286973	0	55	0.0	-63.53	424.56	3.21	-60.32
CC(C[NH+](C)C)C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287007	0	54	0.0	-62.21	416.23	2.86	-59.35
CC(C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025287026	1	55	0.0	-59.02	426.58	3.26	-55.76
CC1CC[N@@H+]1CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287027	1	52	0.0	-59.02	403.65	2.42	-56.60
CC1CC[N@H+]1CC(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287027	1	52	0.0	-60.54	409.20	2.68	-57.86
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025287054	0	55	0.0	-56.67	427.37	3.32	-53.35
CC(CC[NH+](C)C)C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287055	0	57	0.0	-63.40	437.87	3.48	-59.92
C[N@@H+]1CCCC1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287220	0	52	0.0	-65.81	400.83	2.43	-63.38
C[N@H+]1CCCC1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287220	1	52	0.0	-69.30	397.77	2.20	-67.10
C[N@@H+]1CCOC(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025287246	1	53	0.0	-81.16	412.20	1.91	-79.25
C[N@H+]1CCOC(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025287246	1	53	0.0	-76.35	405.35	1.74	-74.61
C[N@@H+]1CCC(CC(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025287396	0	55	0.0	-69.78	425.63	3.33	-66.45
C[N@H+]1CCC(CC(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025287396	1	55	0.0	-69.77	425.66	3.33	-66.44
CCC(C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025287399	0	54	0.0	-67.76	405.96	2.66	-65.10
C[NH+](C)CCCCC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287409	0	57	0.0	-70.62	444.71	3.85	-66.77
CC(C)C(C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025287412	0	57	0.0	-66.02	421.82	3.32	-62.70
CCC[N@H+](C)CCC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287413	0	57	0.0	-71.33	440.90	3.66	-67.67
CCC[N@@H+](C)CCC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287413	1	57	0.0	-71.49	440.89	3.67	-67.82
CCC[N@H+](C)CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287414	0	54	0.0	-69.95	418.57	3.08	-66.87
CCC[N@@H+](C)CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287414	1	54	0.0	-69.65	418.64	3.09	-66.56
C[NH+](C)CC1(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025287453	0	55	0.0	-73.48	426.43	3.14	-70.34
CC[N@H+](C)CCC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287459	0	54	0.0	-70.56	419.40	2.92	-67.64
CC[N@@H+](C)CCC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287459	1	54	0.0	-70.76	419.40	2.93	-67.83
C[NH+]1CCC(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025287481	0	55	0.0	-71.75	423.70	3.24	-68.51
CC(C)[C@H](C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025287496	0	57	0.0	-65.60	422.21	3.21	-62.39
C[NH+](C)C1(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025287518	0	55	0.0	-66.49	401.62	2.77	-63.72
CC1CCC[N@@H+]1CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287542	0	55	0.0	-66.55	418.04	3.06	-63.49
CC1CCC[N@H+]1CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287542	1	55	0.0	-67.24	424.73	3.47	-63.77
CC(C)[C@@H](C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025287553	0	57	0.0	-68.76	416.50	3.29	-65.47
CC1CC[N@H+](CC(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025287561	0	55	0.0	-68.64	424.64	3.35	-65.29
CC1CC[N@@H+](CC(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025287561	1	55	0.0	-68.92	425.40	3.39	-65.53
CC[C@@H](C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025287563	0	54	0.0	-66.19	403.68	2.48	-63.71
CC1=[NH+]C=CN1CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287600	1	50	0.0	-64.71	407.22	3.10	-61.61
CC1=C[NH+]=CN1CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287618	1	50	0.0	-65.00	407.58	3.84	-61.16
C[C@@H]1[C@H](C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025287619	0	55	0.0	-71.53	415.42	2.93	-68.60
C[C@@H]1[C@H](C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025287619	1	55	0.0	-66.88	411.43	3.62	-63.26
C[N@H+](CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025287649	0	55	0.0	-68.01	425.56	3.65	-64.36
C[N@@H+](CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025287649	1	55	0.0	-67.56	425.46	3.64	-63.92
C[NH+]1CCC(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025287655	0	55	0.0	-71.75	423.70	3.24	-68.51
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287668	0	52	0.0	-65.65	396.59	2.24	-63.41
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287668	1	52	0.0	-66.74	401.16	2.51	-64.23
C[N@@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287711	0	55	0.0	-66.44	408.77	2.79	-63.65
C[N@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287711	1	55	0.0	-67.51	419.11	3.21	-64.30
CC1C(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025287740	0	55	0.0	-69.74	421.49	3.03	-66.71
CC1C(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025287740	1	55	0.0	-65.95	419.63	2.97	-62.98
C[C@@H](C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025287781	0	51	0.0	-67.94	395.30	2.02	-65.92
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300025287799	0	55	0.0	-70.48	426.04	3.33	-67.15
C[N@H+](CCO)CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287804	1	52	0.0	-69.49	407.49	-0.90	-70.39
C[N@@H+](CCO)CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287804	1	52	0.0	-70.09	407.22	-0.89	-70.98
CC1C[NH+](CC(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025287847	1	52	0.0	-70.19	409.63	2.86	-67.33
CC[N@H+](C)CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287879	0	51	0.0	-69.44	397.07	2.33	-67.11
CC[N@@H+](C)CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287879	1	51	0.0	-69.28	397.14	2.34	-66.94
CC(CCC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025287932	0	57	0.0	-68.99	436.70	3.46	-65.53
CC[N@H+](CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025287937	0	55	0.0	-66.52	428.48	3.70	-62.82
CC[N@@H+](CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025287937	1	55	0.0	-67.03	425.77	3.67	-63.36
C[N@@H+]1CC2CC1(C(=O)N1CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025287950	0	53	0.0	-75.40	405.79	2.70	-72.70
C[N@H+]1CC2CC1(C(=O)N1CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025287950	1	53	0.0	-67.07	406.40	2.58	-64.49
CC(C[NH+](C)C)C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287959	0	54	0.0	-69.88	415.30	2.70	-67.18
C[NH+](C)C1(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025287965	0	52	0.0	-72.91	402.02	2.35	-70.56
C[C@H](C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025287975	0	51	0.0	-66.20	395.34	2.00	-64.20
CC[N@@H+]1CCC1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287978	1	52	0.0	-68.28	409.93	2.64	-65.64
CC[N@H+]1CCC1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287978	1	52	0.0	-67.38	402.50	2.31	-65.07
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300025287989	0	48	0.0	-72.89	388.70	-0.58	-73.47
CCCC(C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025287993	0	57	0.0	-66.81	431.58	3.49	-63.32
C[NH+](C)C(C)(C)C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287996	0	54	0.0	-65.71	397.81	2.22	-63.49
CC(CC[NH+](C)C)C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288005	0	57	0.0	-69.26	438.19	3.37	-65.89
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025288064	0	53	0.0	-69.88	414.85	3.57	-66.31
C[N@@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288072	0	55	0.0	-66.44	408.77	2.79	-63.65
C[N@H+]1CCCCC1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288072	1	55	0.0	-67.51	419.11	3.21	-64.30
C[N@@H+]1CCC(=CC(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025288097	0	53	0.0	-73.32	414.47	3.09	-70.23
C[N@H+]1CCC(=CC(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025288097	1	53	0.0	-72.24	414.53	3.12	-69.12
CC1(NC(=O)CSC2=NC(=O)NN2)CCCN(C(=O)CN=[N+]=[N-])C1	REAL300025288104	0	42	0.0	-24.52	354.80	-2.90	-27.42
CCC1C[NH+](CC(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025288120	1	55	0.0	-70.68	432.00	3.53	-67.15
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288125	0	52	0.0	-67.85	404.40	2.55	-65.30
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288125	1	52	0.0	-69.29	397.84	2.20	-67.09
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025288165	0	55	0.0	-71.59	428.47	3.41	-68.18
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C[NH+]2CCCCC2)C1	REAL300025288206	0	55	0.0	-69.21	421.12	3.56	-65.65
C[N@@H+]1CCCC(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025288207	0	55	0.0	-70.85	423.54	3.22	-67.63
C[N@H+]1CCCC(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025288207	1	55	0.0	-65.88	414.18	3.31	-62.57
CN1C=C[N+](CC(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025288208	0	50	0.0	-66.37	409.09	5.01	-61.36
C[N@H+](CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025288218	0	52	0.0	-66.45	408.57	3.08	-63.37
C[N@@H+](CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025288218	1	52	0.0	-67.07	408.70	3.06	-64.01
CC(CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025288226	0	57	0.0	-69.76	436.36	3.74	-66.02
C[NH+]1CC(CC(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025288275	0	52	0.0	-70.85	410.63	2.54	-68.31
C[NH+](C)CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288282	0	48	0.0	-70.10	379.33	1.67	-68.43
C[C@@H](C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025288290	0	51	0.0	-67.94	395.30	2.02	-65.92
CC(C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025288304	0	55	0.0	-70.01	427.63	3.16	-66.85
CC1CC[N@@H+]1CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288305	1	52	0.0	-67.73	410.66	2.74	-64.99
CC1CC[N@H+]1CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288305	1	52	0.0	-67.05	405.06	2.48	-64.57
C[NH+](C)CC=CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288307	0	52	0.0	-74.61	412.71	2.73	-71.88
CC1(C)C[NH+](CC(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025288311	1	55	0.0	-69.67	429.91	3.27	-66.40
CC[NH+](CC)CC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288324	0	54	0.0	-68.12	410.92	2.74	-65.38
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C[NH+]2CCC2)C1	REAL300025288329	1	49	0.0	-69.89	389.66	2.14	-67.75
CC[NH+](CC)CCC(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288347	0	57	0.0	-69.63	437.29	3.65	-65.98
CC(C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025288375	1	52	0.0	-64.88	392.44	2.38	-62.50
C[NH+](C)CC(C)(C)C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288379	0	57	0.0	-73.38	420.21	2.93	-70.45
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288399	0	55	0.0	-70.94	411.97	2.89	-68.05
C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288399	1	55	0.0	-66.89	419.69	3.28	-63.61
C=CCC(C(=O)N1CCCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025288418	0	55	0.0	-64.52	419.76	3.02	-61.50
CC1(NC(=O)CSC(N)=[NH2+])CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288441	0	46	0.0	-63.99	385.75	-1.45	-65.44
C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288491	0	52	0.0	-57.60	403.61	2.64	-54.96
C[N@H+]1CCC[C@H]1C(=O)NC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288491	1	52	0.0	-54.56	390.99	2.09	-52.47
CC1(NC(=O)C[NH+]2CCCCC2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288498	0	55	0.0	-59.58	419.55	3.47	-56.11
CC1C(C(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025288501	0	55	0.0	-73.80	409.48	3.37	-70.43
CC1C(C(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025288501	1	55	0.0	-73.84	409.28	3.35	-70.49
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288682	0	49	0.0	-76.79	392.88	1.53	-75.26
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288682	1	49	0.0	-78.14	392.98	1.53	-76.61
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288811	1	47	0.0	-74.23	402.38	2.58	-71.65
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288877	1	47	0.0	-77.44	402.74	3.31	-74.13
CCC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025288886	0	51	0.0	-74.66	403.77	1.91	-72.75
CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288899	0	51	0.0	-77.79	412.21	2.39	-75.40
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288899	1	51	0.0	-77.81	412.21	2.38	-75.43
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288910	0	49	0.0	-76.86	392.95	1.52	-75.34
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288910	1	49	0.0	-74.60	399.30	2.05	-72.55
CC[NH+](CC)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288920	0	51	0.0	-76.09	409.11	2.34	-73.75
CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289016	0	51	0.0	-80.18	413.08	2.18	-78.00
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289016	1	51	0.0	-80.19	413.11	2.18	-78.01
CC[C@@H](C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025289022	0	51	0.0	-74.34	403.21	1.98	-72.36
C[NH+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289051	0	45	0.0	-78.11	372.97	0.97	-77.14
CN1C=C[N+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025289052	0	47	0.0	-75.36	404.22	4.48	-70.88
CC(C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025289060	1	49	0.0	-76.56	402.95	1.90	-74.66
C[N@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025289068	0	49	0.0	-74.50	402.26	2.37	-72.13
C[N@@H+](CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025289068	1	49	0.0	-74.75	402.26	2.38	-72.37
C[NH+]1CC(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025289077	0	49	0.0	-79.68	404.27	1.79	-77.89
C[C@@H](C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025289086	0	48	0.0	-76.75	391.08	1.37	-75.38
[N-]=[N+]=NCC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025289092	0	39	0.0	-30.58	349.94	-3.43	-34.01
C[C@@H](C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025289117	0	48	0.0	-76.75	391.08	1.37	-75.38
O=C(C[NH+]1CCC1)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289143	1	46	0.0	-78.40	383.31	1.45	-76.95
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025289150	0	50	0.0	-81.97	410.87	2.55	-79.42
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025289150	1	50	0.0	-81.93	411.86	2.52	-79.41
C[C@H](C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025289164	0	48	0.0	-76.12	391.14	1.37	-74.75
CC1C[NH+](CC(=O)N[C@H]2C[C@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025289176	1	49	0.0	-78.16	403.94	2.05	-76.11
C[N@H+](CCO)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289187	1	49	0.0	-78.92	401.07	-1.60	-80.52
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289187	1	49	0.0	-78.42	400.86	-1.60	-80.02
CC[N@H+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289199	0	48	0.0	-77.44	390.74	1.65	-75.79
CC[N@@H+](C)CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289199	1	48	0.0	-77.56	390.72	1.63	-75.93
C[NH+](C)CC=CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289223	0	49	0.0	-83.98	410.20	2.22	-81.76
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289236	1	49	0.0	-77.91	404.56	1.94	-75.97
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289236	1	49	0.0	-77.72	404.58	1.98	-75.74
O=C(C[NH+]1CC2CC2C1)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289256	0	50	0.0	-78.25	408.56	2.85	-75.40
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289261	0	51	0.0	-84.41	400.48	2.14	-82.27
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025289296	0	49	0.0	-82.90	398.53	2.04	-80.86
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025289305	0	50	0.0	-84.18	403.69	2.20	-81.98
C[N@H+]1CC2CC1(C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025289305	1	50	0.0	-84.42	405.35	2.15	-82.27
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289336	0	51	0.0	-79.96	411.38	2.24	-77.72
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289352	1	49	0.0	-75.50	399.38	1.85	-73.65
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289352	1	49	0.0	-77.13	404.34	2.06	-75.07
C[N@@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289517	0	49	0.0	-71.38	391.33	1.41	-69.97
C[N@H+]1CCCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289517	1	49	0.0	-72.97	395.67	1.70	-71.27
CCC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025289661	0	51	0.0	-72.44	402.94	1.87	-70.57
CCC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289670	0	51	0.0	-76.45	412.20	2.26	-74.19
CCC[N@@H+](C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289670	1	51	0.0	-76.50	412.20	2.26	-74.24
CC[N@H+](C)CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289702	0	51	0.0	-78.71	413.07	2.13	-76.58
CC[N@@H+](C)CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289702	1	51	0.0	-78.54	413.07	2.13	-76.41
CC[C@@H](C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025289779	0	51	0.0	-72.91	395.51	1.60	-71.31
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289810	1	47	0.0	-72.53	402.40	2.49	-70.04
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289826	1	47	0.0	-77.25	402.77	3.22	-74.03
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289861	0	49	0.0	-71.39	391.35	1.42	-69.97
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289861	1	49	0.0	-72.92	394.50	1.65	-71.27
C[C@@H](C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025289955	0	48	0.0	-75.20	386.61	1.16	-74.04
C[N@H+](CCO)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289973	1	49	0.0	-77.95	401.05	-1.71	-79.66
C[N@@H+](CCO)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025289973	1	49	0.0	-76.38	400.84	-1.72	-78.10
CC1C[NH+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025290007	1	49	0.0	-76.87	404.27	1.96	-74.91
CC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290035	0	48	0.0	-76.16	390.70	1.52	-74.64
CC[N@@H+](C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290035	1	48	0.0	-76.26	390.70	1.52	-74.74
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025290086	0	50	0.0	-76.50	399.55	2.01	-74.49
C[N@H+]1CC2CC1(C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025290086	1	50	0.0	-79.66	399.82	1.81	-77.85
CC(C[NH+](C)C)C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290094	0	51	0.0	-79.49	408.00	1.91	-77.58
C[NH+](C)C1(C(=O)N2C[C@@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025290099	0	49	0.0	-79.92	391.71	1.20	-78.72
C[C@H](C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025290108	0	48	0.0	-72.48	388.98	1.18	-71.30
CC[N@@H+]1CCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290111	1	49	0.0	-76.04	403.52	1.74	-74.30
CC[N@H+]1CCC1C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290111	1	49	0.0	-75.16	396.97	1.54	-73.62
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290121	0	45	0.0	-82.39	383.98	-1.19	-83.58
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290126	0	51	0.0	-79.67	390.80	1.26	-78.41
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](F)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025290179	0	50	0.0	-76.54	408.30	2.73	-73.81
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025290201	0	50	0.0	-68.30	410.77	2.43	-65.87
C[N@H+]1CCC(=CC(=O)N2C[C@@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025290201	1	50	0.0	-68.99	409.97	2.48	-66.51
[N-]=[N+]=NCC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300025290207	0	39	0.0	-30.77	349.94	-3.54	-34.31
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290222	0	49	0.0	-70.83	398.70	1.79	-69.04
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290222	1	49	0.0	-77.17	391.51	1.41	-75.76
CN1C=C[N+](CC(=O)N2C[C@@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025290282	0	47	0.0	-75.23	404.20	4.37	-70.86
C[N@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025290290	0	49	0.0	-73.14	402.27	2.26	-70.88
C[N@@H+](CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025290290	1	49	0.0	-74.32	402.40	2.27	-72.05
C[NH+]1CC(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025290333	0	49	0.0	-79.19	404.26	1.72	-77.47
C[NH+](C)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290338	0	45	0.0	-76.92	372.98	0.86	-76.06
C[C@@H](C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025290344	0	48	0.0	-75.20	386.61	1.16	-74.04
CC1CC[N@@H+]1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290357	1	49	0.0	-74.80	404.30	1.93	-72.87
CC1CC[N@H+]1CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290357	1	49	0.0	-75.99	404.26	1.93	-74.06
C[NH+](C)CC=CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290358	0	49	0.0	-68.23	409.13	2.13	-66.10
CC[NH+](CC)CC(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290371	0	51	0.0	-75.05	404.56	1.93	-73.12
CC(C(=O)N1C[C@@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025290411	1	49	0.0	-75.20	397.91	1.67	-73.53
NC(=[NH2+])SCC(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290462	0	43	0.0	-81.81	380.93	-2.08	-83.89
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290509	0	49	0.0	-74.49	399.03	2.00	-72.49
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290509	1	49	0.0	-78.03	392.97	1.52	-76.51
C[N@@H+]1CCCC1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290701	0	50	0.0	-78.70	408.84	-1.91	-80.61
C[N@H+]1CCCC1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290701	1	50	0.0	-79.32	408.54	-1.95	-81.27
CC1=[NH+]C=CN1CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290852	1	48	0.0	-75.92	418.25	-0.85	-76.77
C[C@@H]1[C@H](C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025290870	0	53	0.0	-82.67	425.37	-1.50	-84.17
C[C@@H]1[C@H](C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025290870	1	53	0.0	-79.67	430.90	-0.96	-80.63
C[NH+](C)C1(C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025290887	0	53	0.0	-84.00	424.77	-1.10	-85.10
C[N@H+](CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025290897	0	53	0.0	-77.40	435.04	-0.48	-77.88
C[N@@H+](CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025290897	1	53	0.0	-77.78	434.94	-0.49	-78.27
C[NH+]1CCC(C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025290918	0	53	0.0	-83.18	433.40	-0.80	-83.98
C[N@@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290924	0	53	0.0	-76.76	430.80	-0.94	-77.70
C[N@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290924	1	53	0.0	-77.07	421.46	-1.03	-78.10
CC1=C[NH+]=CN1CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290941	1	48	0.0	-78.81	417.54	-0.17	-78.98
C[N@@H+]1CCC(CC(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025290950	0	53	0.0	-80.44	435.62	-0.91	-81.35
C[N@H+]1CCC(CC(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025290950	1	53	0.0	-81.49	434.99	-0.84	-82.33
CCC(C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025290953	0	52	0.0	-77.03	419.54	-1.54	-78.57
CCC[N@H+](C)CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290969	0	52	0.0	-79.65	428.05	-1.05	-80.70
CCC[N@@H+](C)CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290969	1	52	0.0	-79.61	428.05	-1.06	-80.67
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290983	0	50	0.0	-79.31	408.55	-1.95	-81.26
C[N@H+]1CCC[C@@H]1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290983	1	50	0.0	-76.70	415.13	-1.46	-78.16
CC[NH+](CC)CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025290995	0	52	0.0	-77.81	424.92	-1.10	-78.91
C[NH+](C)CC1(C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025291047	0	53	0.0	-82.78	440.69	-0.76	-83.54
C[NH+]1CCC(C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025291068	0	53	0.0	-83.18	433.40	-0.80	-83.98
CC[N@H+](C)CCC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291105	0	52	0.0	-80.57	428.92	-1.26	-81.83
CC[N@@H+](C)CCC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291105	1	52	0.0	-80.61	428.92	-1.24	-81.85
CC1CCC[N@@H+]1CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291113	0	53	0.0	-77.00	434.59	-0.84	-77.84
CC1CCC[N@H+]1CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291113	1	53	0.0	-76.94	433.98	-0.69	-77.63
CC1CC[N@H+](CC(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025291114	0	53	0.0	-78.65	435.08	-0.81	-79.46
CC1CC[N@@H+](CC(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025291114	1	53	0.0	-79.19	434.23	-0.85	-80.04
CC[C@@H](C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025291116	0	52	0.0	-76.54	419.47	-1.48	-78.02
C[NH+](C)CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291147	0	46	0.0	-79.70	388.82	-2.47	-82.17
CN1C=C[N+](CC(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025291148	0	48	0.0	-77.06	420.05	1.04	-76.02
C[N@@H+]1CCCC(C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025291151	0	53	0.0	-79.47	433.42	-0.84	-80.31
C[N@H+]1CCCC(C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025291151	1	53	0.0	-73.30	427.18	-0.71	-74.01
CC(C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025291158	1	50	0.0	-76.87	417.04	-1.40	-78.27
C[N@H+](CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025291166	0	50	0.0	-76.63	418.10	-1.06	-77.69
C[N@@H+](CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025291166	1	50	0.0	-76.63	418.08	-1.06	-77.69
C[NH+]1CC(CC(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025291176	0	50	0.0	-79.77	420.01	-1.63	-81.40
C[C@@H](C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025291187	0	49	0.0	-77.91	406.93	-2.07	-79.98
[N-]=[N+]=NCC(=O)NCCC1(O)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025291194	0	40	0.0	-28.55	365.79	-6.87	-35.42
C[C@@H](C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025291225	0	49	0.0	-77.91	406.93	-2.07	-79.98
C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291228	0	53	0.0	-76.86	421.46	-1.04	-77.90
C[N@H+]1CCCC[C@@H]1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291228	1	53	0.0	-76.18	430.77	-0.87	-77.05
O=C(C[NH+]1CCC1)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291253	1	47	0.0	-79.62	398.92	-2.04	-81.66
C[N@@H+]1CCC(=CC(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025291260	0	51	0.0	-81.80	427.67	-0.92	-82.72
C[N@H+]1CCC(=CC(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025291260	1	51	0.0	-81.88	426.71	-0.88	-82.76
C[C@H](C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025291277	0	49	0.0	-77.84	406.85	-2.06	-79.90
CC1C[NH+](CC(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025291291	1	50	0.0	-79.63	420.09	-1.37	-81.00
C[N@H+](CCO)CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291304	1	50	0.0	-80.11	416.90	-5.03	-85.14
C[N@@H+](CCO)CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291304	1	50	0.0	-79.86	416.69	-5.04	-84.90
CC[N@H+](C)CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291316	0	49	0.0	-79.15	406.55	-1.79	-80.94
CC[N@@H+](C)CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291316	1	49	0.0	-79.13	406.55	-1.80	-80.93
CC[N@H+](CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025291326	0	53	0.0	-75.82	434.06	-0.66	-76.48
CC[N@@H+](CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025291326	1	53	0.0	-76.72	435.18	-0.48	-77.20
CC1(C)C[NH+](CC(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025291338	1	53	0.0	-79.88	439.44	-0.84	-80.72
C[NH+](C)CC=CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291345	0	50	0.0	-83.07	424.78	-1.25	-84.32
CC[N@@H+]1CCC1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291362	1	50	0.0	-77.98	412.66	-1.60	-79.58
CC[N@H+]1CCC1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291362	1	50	0.0	-78.64	420.40	-1.43	-80.07
C=CCC(C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025291381	0	53	0.0	-78.25	435.44	-0.79	-79.04
O=C(C[NH+]1CC2CC2C1)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291388	0	51	0.0	-79.72	424.15	-0.59	-80.31
C[NH+](C)C(C)(C)C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291393	0	52	0.0	-83.35	416.09	-1.28	-84.63
C[N@@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291403	0	53	0.0	-76.76	430.80	-0.94	-77.70
C[N@H+]1CCCCC1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291403	1	53	0.0	-77.07	421.46	-1.03	-78.10
C[NH+](C)C1(C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025291435	0	50	0.0	-82.41	415.43	-1.79	-84.20
O=C(CC[NH+]1CCCC1)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291436	0	53	0.0	-80.15	437.15	-0.73	-80.88
C[N@@H+]1CC2CC1(C(=O)NCCC1(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025291446	0	51	0.0	-82.71	421.26	-1.31	-84.02
C[N@H+]1CC2CC1(C(=O)NCCC1(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025291446	1	51	0.0	-83.44	419.36	-1.38	-84.82
CC(C[NH+](C)C)C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291480	0	52	0.0	-80.17	427.22	-1.19	-81.36
CC(C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025291499	0	53	0.0	-76.76	437.58	-0.79	-77.55
CC1CC[N@@H+]1CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291500	1	50	0.0	-77.81	414.69	-1.72	-79.53
CC1CC[N@H+]1CC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291500	1	50	0.0	-78.38	420.15	-1.38	-79.76
C[NH+](C)[C@H]1C[C@H](C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025291528	0	53	0.0	-80.03	438.45	-0.82	-80.85
C[N@@H+]1CCCC1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291688	0	50	0.0	-69.06	413.61	-1.60	-70.66
C[N@H+]1CCCC1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291688	1	50	0.0	-70.42	407.80	-1.99	-72.41
C[N@@H+]1CCC(CC(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025291855	0	53	0.0	-76.16	435.82	-0.90	-77.06
C[N@H+]1CCC(CC(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025291855	1	53	0.0	-77.25	435.30	-0.95	-78.20
CCC(C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025291858	0	52	0.0	-71.65	420.17	-1.40	-73.05
CCC[N@H+](C)CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291870	0	52	0.0	-72.34	427.76	-1.09	-73.43
CCC[N@@H+](C)CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291870	1	52	0.0	-72.10	428.05	-1.07	-73.17
C[NH+](C)CC1(C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025291906	0	53	0.0	-71.35	437.93	-0.86	-72.21
CC[N@H+](C)CCC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291911	0	52	0.0	-74.62	428.92	-1.26	-75.88
CC[N@@H+](C)CCC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291911	1	52	0.0	-74.64	428.92	-1.26	-75.90
C[NH+]1CCC(C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025291933	0	53	0.0	-78.63	430.79	-1.05	-79.68
C[NH+](C)C1(C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025291965	0	53	0.0	-75.78	419.04	-1.27	-77.05
CC1CCC[N@@H+]1CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291987	0	53	0.0	-69.40	434.28	-0.75	-70.15
CC1CCC[N@H+]1CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025291987	1	53	0.0	-68.92	427.42	-1.10	-70.02
CC1CC[N@H+](CC(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025292004	0	53	0.0	-71.12	435.01	-0.82	-71.94
CC1CC[N@@H+](CC(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025292004	1	53	0.0	-70.90	434.16	-0.81	-71.71
CC[C@@H](C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025292006	0	52	0.0	-70.51	422.41	-1.34	-71.85
CC1=[NH+]C=CN1CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292041	1	48	0.0	-70.26	418.22	-0.87	-71.13
CC1=C[NH+]=CN1CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292059	1	48	0.0	-72.04	418.58	-0.14	-72.18
C[C@@H]1[C@H](C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025292060	0	53	0.0	-75.99	425.12	-1.53	-77.52
C[C@@H]1[C@H](C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025292060	1	53	0.0	-74.85	431.47	-1.27	-76.12
C[N@H+](CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025292087	0	53	0.0	-70.07	434.92	-0.50	-70.57
C[N@@H+](CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025292087	1	53	0.0	-70.13	435.06	-0.50	-70.63
C[NH+]1CCC(C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025292092	0	53	0.0	-78.63	430.79	-1.05	-79.68
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292104	0	50	0.0	-72.59	408.04	-2.06	-74.65
C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292104	1	50	0.0	-69.86	410.19	-1.61	-71.47
C[N@@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292144	0	53	0.0	-68.40	430.07	-0.92	-69.32
C[N@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292144	1	53	0.0	-69.60	418.93	-1.31	-70.91
CC1C(C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025292172	0	53	0.0	-73.98	429.14	-1.34	-75.32
CC1C(C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025292172	1	53	0.0	-73.28	430.63	-0.95	-74.23
C[C@@H](C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025292209	0	49	0.0	-70.67	406.40	-2.16	-72.83
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025292226	0	53	0.0	-74.06	437.15	-0.75	-74.81
C[N@H+](CCO)CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292231	1	50	0.0	-72.53	416.90	-5.06	-77.59
C[N@@H+](CCO)CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292231	1	50	0.0	-72.72	416.70	-5.05	-77.77
CC1C[NH+](CC(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025292269	1	50	0.0	-72.27	420.12	-1.40	-73.67
CC[N@H+](C)CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292298	0	49	0.0	-71.79	406.55	-1.82	-73.61
CC[N@@H+](C)CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292298	1	49	0.0	-71.74	406.55	-1.81	-73.55
CC[N@H+](CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025292351	0	53	0.0	-68.57	437.41	-0.46	-69.03
CC[N@@H+](CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025292351	1	53	0.0	-69.18	434.88	-0.47	-69.65
C[N@@H+]1CC2CC1(C(=O)N1CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025292363	0	51	0.0	-79.81	417.66	-1.39	-81.20
C[N@H+]1CC2CC1(C(=O)N1CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025292363	1	51	0.0	-73.79	416.61	-1.33	-75.12
CC(C[NH+](C)C)C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292372	0	52	0.0	-74.67	424.60	-1.45	-76.12
C[NH+](C)C1(C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025292378	0	50	0.0	-76.91	412.93	-1.59	-78.50
C[C@H](C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025292387	0	49	0.0	-71.93	406.95	-2.10	-74.03
CC[N@@H+]1CCC1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292390	1	50	0.0	-71.90	420.45	-1.51	-73.41
CC[N@H+]1CCC1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292390	1	50	0.0	-69.56	412.47	-1.88	-71.44
NC1=CC=[NH+]C=C1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292400	0	46	0.0	-75.17	395.17	-4.45	-79.62
C[NH+](C)C(C)(C)C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292406	0	52	0.0	-73.90	410.17	-1.46	-75.36
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025292467	0	51	0.0	-71.81	424.28	-0.61	-72.42
C[N@@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292473	0	53	0.0	-68.40	430.07	-0.92	-69.32
C[N@H+]1CCCCC1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292473	1	53	0.0	-69.60	418.93	-1.31	-70.91
C[N@@H+]1CCC(=CC(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025292494	0	51	0.0	-78.84	426.31	-0.95	-79.79
C[N@H+]1CCC(=CC(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025292494	1	51	0.0	-78.50	427.25	-0.97	-79.47
[N-]=[N+]=NCC(=O)N1CC(O)(CCNC(=O)CSC2=NC(=O)NN2)C1	REAL300025292501	0	40	0.0	-29.20	365.53	-6.86	-36.06
CCC1C[NH+](CC(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025292515	1	53	0.0	-73.22	441.28	-0.67	-73.89
C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292520	0	50	0.0	-69.92	413.87	-1.57	-71.49
C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292520	1	50	0.0	-70.27	407.82	-2.00	-72.27
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025292553	0	53	0.0	-75.95	438.57	-0.76	-76.71
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300025292591	0	53	0.0	-71.33	430.55	-0.62	-71.95
C[N@@H+]1CCCC(C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025292592	0	53	0.0	-74.51	430.82	-1.10	-75.61
C[N@H+]1CCCC(C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025292592	1	53	0.0	-77.41	424.16	-1.06	-78.47
CN1C=C[N+](CC(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025292593	0	48	0.0	-70.50	420.05	1.02	-69.48
C[N@H+](CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025292603	0	50	0.0	-69.38	418.11	-1.08	-70.46
C[N@@H+](CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025292603	1	50	0.0	-69.62	418.24	-1.08	-70.70
C[NH+]1CC(CC(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025292652	0	50	0.0	-74.49	420.11	-1.66	-76.15
C[NH+](C)CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292658	0	46	0.0	-72.63	388.82	-2.49	-75.12
C[C@@H](C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025292666	0	49	0.0	-70.67	406.40	-2.16	-72.83
CC(C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025292680	1	53	0.0	-71.38	439.98	-0.91	-72.29
CC1CC[N@@H+]1CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292681	1	50	0.0	-70.45	414.93	-1.63	-72.08
CC1CC[N@H+]1CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292681	1	50	0.0	-70.15	415.18	-1.66	-71.81
C[NH+](C)CC=CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292683	0	50	0.0	-78.40	425.81	-1.25	-79.65
CC1(C)C[NH+](CC(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025292687	1	53	0.0	-72.20	439.40	-0.88	-73.08
CC[NH+](CC)CC(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292699	0	52	0.0	-70.28	420.41	-1.41	-71.69
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)C[NH+]2CCC2)C1	REAL300025292704	1	47	0.0	-72.63	398.92	-2.06	-74.69
CC(C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025292743	1	50	0.0	-71.69	419.05	-1.51	-73.20
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292764	0	53	0.0	-70.04	418.92	-1.32	-71.36
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292764	1	53	0.0	-70.16	430.48	-0.90	-71.06
C=CCC(C(=O)N1CC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025292783	0	53	0.0	-71.77	434.17	-0.88	-72.65
NC(=[NH2+])SCC(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292804	0	44	0.0	-81.44	397.35	-5.59	-87.03
CCC1C[NH+](CC(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025292853	1	53	0.0	-80.65	441.48	-0.61	-81.26
C[N@@H+]1CCC[C@H]1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292857	0	50	0.0	-76.38	415.12	-1.38	-77.76
C[N@H+]1CCC[C@H]1C(=O)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292857	1	50	0.0	-78.81	408.86	-1.91	-80.72
O=C(C[NH+]1CCCCC1)NCCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025292863	0	53	0.0	-79.28	430.54	-0.60	-79.88
CC1C(C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025292867	0	53	0.0	-78.38	434.84	-0.98	-79.36
CC1C(C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025292867	1	53	0.0	-79.42	435.32	-1.06	-80.48
C[N@@H+]1CCCC1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293060	0	50	0.0	-72.03	394.71	0.05	-71.98
C[N@H+]1CCCC1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293060	1	50	0.0	-69.64	393.04	0.49	-69.15
CC1=[NH+]C=CN1CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293211	1	48	0.0	-66.80	402.48	1.56	-65.24
C[C@@H]1[C@H](C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025293229	0	53	0.0	-71.89	410.60	1.15	-70.74
C[C@@H]1[C@H](C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025293229	1	53	0.0	-72.41	415.94	1.18	-71.23
C[NH+](C)C1(C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025293246	0	53	0.0	-65.92	406.65	1.55	-64.37
C[N@H+](CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025293256	0	53	0.0	-68.18	419.15	1.93	-66.25
C[N@@H+](CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025293256	1	53	0.0	-72.46	420.92	1.51	-70.95
C[NH+]1CCC(C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025293277	0	53	0.0	-73.49	417.63	1.60	-71.89
C[N@@H+]1CCCCC1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293283	0	53	0.0	-73.50	407.32	0.93	-72.57
C[N@H+]1CCCCC1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293283	1	53	0.0	-69.75	416.65	1.10	-68.65
CC1=C[NH+]=CN1CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293300	1	48	0.0	-70.01	401.75	2.26	-67.75
C[N@@H+]1CCC(CC(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025293309	0	53	0.0	-72.23	420.04	1.52	-70.71
C[N@H+]1CCC(CC(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025293309	1	53	0.0	-78.27	421.05	1.11	-77.16
CCC(C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025293312	0	52	0.0	-67.27	403.47	0.95	-66.32
CCC[N@H+](C)CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293328	0	52	0.0	-70.46	412.28	1.37	-69.09
CCC[N@@H+](C)CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293328	1	52	0.0	-70.51	412.27	1.37	-69.14
C[N@@H+]1CCC[C@@H]1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293342	0	50	0.0	-68.60	392.58	0.49	-68.11
C[N@H+]1CCC[C@@H]1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293342	1	50	0.0	-70.76	401.23	0.51	-70.25
CC[NH+](CC)CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293354	0	52	0.0	-72.64	410.77	0.87	-71.77
C[NH+](C)CC1(C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025293406	0	53	0.0	-81.89	426.04	1.26	-80.63
C[NH+]1CCC(C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025293427	0	53	0.0	-73.49	417.63	1.60	-71.89
CC[N@H+](C)CCC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293464	0	52	0.0	-71.69	413.15	1.15	-70.54
CC[N@@H+](C)CCC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293464	1	52	0.0	-77.16	414.78	0.72	-76.44
CC1CCC[N@@H+]1CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293472	0	53	0.0	-66.92	411.72	1.32	-65.60
CC1CCC[N@H+]1CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293472	1	53	0.0	-71.31	413.34	0.87	-70.44
CC1CC[N@H+](CC(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025293473	0	53	0.0	-69.80	418.46	1.71	-68.09
CC1CC[N@@H+](CC(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025293473	1	53	0.0	-74.34	420.08	1.27	-73.07
CC[C@@H](C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025293475	0	52	0.0	-67.73	403.31	0.99	-66.74
C[NH+](C)CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293506	0	46	0.0	-75.12	374.68	-0.49	-75.61
CN1C=C[N+](CC(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025293507	0	48	0.0	-67.89	404.29	3.46	-64.43
C[N@@H+]1CCCC(C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025293510	0	53	0.0	-75.97	419.34	1.13	-74.84
C[N@H+]1CCCC(C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025293510	1	53	0.0	-75.93	419.25	1.13	-74.80
CC(C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025293517	1	50	0.0	-67.92	401.24	1.01	-66.91
C[N@H+](CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025293525	0	50	0.0	-67.43	402.32	1.36	-66.07
C[N@@H+](CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025293525	1	50	0.0	-68.11	402.46	1.36	-66.75
C[NH+]1CC(CC(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025293535	0	50	0.0	-77.47	406.12	0.33	-77.14
C[C@@H](C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025293546	0	49	0.0	-68.90	390.95	0.36	-68.54
[N-]=[N+]=NCC(=O)NC1COCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025293553	0	40	0.0	-24.01	350.01	-4.45	-28.46
C[C@@H](C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025293584	0	49	0.0	-68.90	390.95	0.36	-68.54
C[N@@H+]1CCCC[C@@H]1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293587	0	53	0.0	-71.37	407.33	0.93	-70.44
C[N@H+]1CCCC[C@@H]1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293587	1	53	0.0	-66.44	415.05	1.55	-64.89
C[N@@H+]1CCC(=CC(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025293619	0	51	0.0	-74.00	411.92	1.48	-72.52
C[N@H+]1CCC(=CC(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025293619	1	51	0.0	-79.18	413.57	1.04	-78.14
C[C@H](C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025293636	0	49	0.0	-68.41	391.22	0.34	-68.07
CC1C[NH+](CC(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025293650	1	50	0.0	-70.40	404.02	1.03	-69.37
C[N@H+](CCO)CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293663	1	50	0.0	-71.11	401.13	-2.62	-73.73
C[N@@H+](CCO)CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293663	1	50	0.0	-70.68	400.92	-2.63	-73.31
CC[N@H+](C)CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293675	0	49	0.0	-70.03	390.78	0.62	-69.41
CC[N@@H+](C)CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293675	1	49	0.0	-70.08	390.78	0.62	-69.46
CC[N@H+](CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025293685	0	53	0.0	-66.76	421.65	1.98	-64.78
CC[N@@H+](CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025293685	1	53	0.0	-67.05	422.16	1.98	-65.07
C[NH+](C)CC=CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293704	0	50	0.0	-81.35	410.64	0.72	-80.63
CC[N@@H+]1CCC1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293721	1	50	0.0	-69.22	404.68	0.89	-68.33
CC[N@H+]1CCC1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293721	1	50	0.0	-74.73	406.38	0.48	-74.25
C=CCC(C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025293740	0	53	0.0	-66.48	416.72	1.43	-65.05
O=C(C[NH+]1CC2CC2C1)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293747	0	51	0.0	-70.29	408.38	1.83	-68.46
C[NH+](C)C(C)(C)C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293752	0	52	0.0	-78.09	402.15	0.67	-77.42
C[N@@H+]1CCCCC1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293762	0	53	0.0	-73.50	407.32	0.93	-72.57
C[N@H+]1CCCCC1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293762	1	53	0.0	-69.75	416.65	1.10	-68.65
C[NH+](C)C1(C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025293794	0	50	0.0	-79.67	396.92	0.77	-78.90
O=C(CC[NH+]1CCCC1)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293795	0	53	0.0	-71.27	421.39	1.67	-69.60
C[N@@H+]1CC2CC1(C(=O)NC1COCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025293805	0	51	0.0	-78.31	405.36	0.74	-77.57
C[N@H+]1CC2CC1(C(=O)NC1COCCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025293805	1	51	0.0	-71.02	403.80	1.07	-69.95
CC(C[NH+](C)C)C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293839	0	52	0.0	-67.24	412.37	0.88	-66.36
CC(C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025293858	1	53	0.0	-67.60	422.20	1.63	-65.97
CC1CC[N@@H+]1CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293859	1	50	0.0	-68.11	398.82	0.75	-67.36
CC1CC[N@H+]1CC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025293859	1	50	0.0	-69.21	404.32	1.02	-68.19
C[NH+](C)[C@H]1C[C@H](C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025293887	0	53	0.0	-70.57	422.73	1.68	-68.89
C[N@@H+]1CCCC1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294047	0	50	0.0	-74.38	393.13	-0.07	-74.45
C[N@H+]1CCCC1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294047	1	50	0.0	-73.67	399.74	0.29	-73.38
C[N@@H+]1CCC(CC(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025294214	0	53	0.0	-76.77	420.99	1.06	-75.71
C[N@H+]1CCC(CC(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025294214	1	53	0.0	-76.55	421.42	1.07	-75.48
CCC(C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025294217	0	52	0.0	-68.99	399.37	0.22	-68.77
CCC[N@H+](C)CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294229	0	52	0.0	-75.71	412.28	1.26	-74.45
CCC[N@@H+](C)CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294229	1	52	0.0	-75.76	412.28	1.26	-74.50
C[NH+](C)CC1(C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025294265	0	53	0.0	-75.48	414.63	1.21	-74.27
CC[N@H+](C)CCC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294270	0	52	0.0	-77.09	413.15	1.14	-75.95
CC[N@@H+](C)CCC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294270	1	52	0.0	-77.10	413.16	1.13	-75.97
C[NH+]1CCC(C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025294292	0	53	0.0	-79.71	417.93	1.43	-78.28
C[NH+](C)C1(C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025294324	0	53	0.0	-74.93	400.52	0.69	-74.24
CC1CCC[N@@H+]1CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294346	0	53	0.0	-70.84	419.67	1.10	-69.74
CC1CCC[N@H+]1CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294346	1	53	0.0	-72.74	418.35	1.63	-71.11
CC1CC[N@H+](CC(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025294363	0	53	0.0	-74.58	418.44	1.54	-73.04
CC1CC[N@@H+](CC(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025294363	1	53	0.0	-72.83	420.74	1.13	-71.70
CC[C@@H](C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025294365	0	52	0.0	-74.31	402.93	0.85	-73.46
CC1=[NH+]C=CN1CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294400	1	48	0.0	-71.38	402.46	1.48	-69.90
CC1=C[NH+]=CN1CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294418	1	48	0.0	-73.72	402.81	2.20	-71.52
C[C@@H]1[C@H](C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025294419	0	53	0.0	-78.65	408.58	0.66	-77.99
C[C@@H]1[C@H](C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025294419	1	53	0.0	-73.34	412.90	1.08	-72.26
C[N@H+](CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025294446	0	53	0.0	-73.34	419.27	1.85	-71.49
C[N@@H+](CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025294446	1	53	0.0	-72.02	420.82	1.39	-70.63
C[NH+]1CCC(C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025294451	0	53	0.0	-79.71	417.93	1.43	-78.28
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294463	0	50	0.0	-69.57	392.95	-0.09	-69.66
C[N@H+]1CCC[C@@H]1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294463	1	50	0.0	-73.85	399.79	0.77	-73.08
C[N@@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294503	0	53	0.0	-70.20	403.45	0.48	-69.72
C[N@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294503	1	53	0.0	-74.05	404.86	0.37	-73.68
CC1C(C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025294531	0	53	0.0	-75.60	416.67	0.73	-74.87
CC1C(C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025294531	1	53	0.0	-73.35	412.56	1.09	-72.26
C[C@@H](C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025294568	0	49	0.0	-72.65	390.38	-0.25	-72.90
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)CC[NH+]2CCCC2)C1	REAL300025294585	0	53	0.0	-76.70	421.38	1.62	-75.08
C[N@H+](CCO)CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294590	1	50	0.0	-76.21	401.13	-2.71	-78.92
C[N@@H+](CCO)CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294590	1	50	0.0	-75.89	400.93	-2.71	-78.60
CC1C[NH+](CC(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025294628	1	50	0.0	-74.06	406.03	0.50	-73.56
CC[N@H+](C)CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294657	0	49	0.0	-75.37	390.79	0.52	-74.85
CC[N@@H+](C)CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294657	1	49	0.0	-75.41	390.78	0.52	-74.89
CC[N@H+](CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025294710	0	53	0.0	-71.78	415.83	1.00	-70.78
CC[N@@H+](CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025294710	1	53	0.0	-72.47	419.39	1.86	-70.61
C[N@@H+]1CC2CC1(C(=O)N1CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025294722	0	51	0.0	-73.64	392.44	0.93	-72.71
C[N@H+]1CC2CC1(C(=O)N1CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025294722	1	51	0.0	-78.52	400.86	0.36	-78.16
CC(C[NH+](C)C)C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294731	0	52	0.0	-77.82	411.85	1.01	-76.81
C[NH+](C)C1(C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025294737	0	50	0.0	-74.76	393.72	0.31	-74.45
C[C@H](C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025294746	0	49	0.0	-70.79	389.45	-0.26	-71.05
CC[N@@H+]1CCC1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294749	1	50	0.0	-72.64	399.12	0.10	-72.54
CC[N@H+]1CCC1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294749	1	50	0.0	-73.94	405.88	0.34	-73.60
NC1=CC=[NH+]C=C1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294759	0	46	0.0	-77.51	385.33	-2.67	-80.18
C[NH+](C)C(C)(C)C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294765	0	52	0.0	-74.74	388.37	0.19	-74.55
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025294826	0	51	0.0	-75.71	408.52	1.75	-73.96
C[N@@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294832	0	53	0.0	-70.20	403.45	0.48	-69.72
C[N@H+]1CCCCC1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294832	1	53	0.0	-74.05	404.86	0.37	-73.68
C[N@@H+]1CCC(=CC(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025294853	0	51	0.0	-78.38	412.77	1.44	-76.94
C[N@H+]1CCC(=CC(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025294853	1	51	0.0	-78.30	412.79	1.47	-76.83
[N-]=[N+]=NCC(=O)N1CCOCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025294860	0	40	0.0	-27.80	351.68	-4.98	-32.78
CCC1C[NH+](CC(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025294874	1	53	0.0	-74.91	427.19	1.22	-73.69
C[N@@H+]1CCC[C@H]1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294879	0	50	0.0	-72.69	399.08	0.77	-71.92
C[N@H+]1CCC[C@H]1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025294879	1	50	0.0	-75.42	393.68	-0.06	-75.48
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025294912	0	53	0.0	-76.59	423.62	1.62	-74.97
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)C[NH+]2CCCCC2)C1	REAL300025294950	0	53	0.0	-75.22	414.79	1.72	-73.50
C[N@@H+]1CCCC(C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025294951	0	53	0.0	-77.06	417.61	1.38	-75.68
C[N@H+]1CCCC(C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025294951	1	53	0.0	-75.04	414.50	0.76	-74.28
CN1C=C[N+](CC(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025294952	0	48	0.0	-72.67	404.28	3.37	-69.30
C[N@H+](CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025294962	0	50	0.0	-72.43	402.32	1.28	-71.15
C[N@@H+](CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025294962	1	50	0.0	-71.52	404.11	0.82	-70.70
C[NH+]1CC(CC(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295011	0	50	0.0	-76.59	404.34	0.72	-75.87
C[NH+](C)CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025295017	0	46	0.0	-76.21	373.05	-0.14	-76.35
C[C@@H](C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025295025	0	49	0.0	-72.65	390.38	-0.25	-72.90
CC(C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025295039	1	53	0.0	-70.82	418.59	0.71	-70.11
CC1CC[N@@H+]1CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025295040	1	50	0.0	-74.32	404.40	0.95	-73.37
CC1CC[N@H+]1CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025295040	1	50	0.0	-73.26	406.02	0.48	-72.78
C[NH+](C)CC=CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025295042	0	50	0.0	-79.28	409.90	1.15	-78.13
CC[NH+](CC)CC(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025295058	0	52	0.0	-73.81	404.64	0.94	-72.87
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)C[NH+]2CCC2)C1	REAL300025295063	1	47	0.0	-75.78	383.32	0.32	-75.46
CC(C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025295102	1	50	0.0	-74.02	393.41	0.41	-73.61
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025295123	0	53	0.0	-72.76	403.66	0.88	-71.88
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025295123	1	53	0.0	-68.00	413.94	0.97	-67.03
C=CCC(C(=O)N1CCOCC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025295142	0	53	0.0	-75.73	415.79	1.34	-74.39
NC(=[NH2+])SCC(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025295163	0	44	0.0	-71.85	380.98	-3.11	-74.96
CCC1C[NH+](CC(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295212	1	53	0.0	-71.25	425.68	1.84	-69.41
C[N@@H+]1CCC[C@H]1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025295216	0	50	0.0	-71.40	400.46	0.52	-70.88
C[N@H+]1CCC[C@H]1C(=O)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025295216	1	50	0.0	-69.62	393.02	0.49	-69.13
O=C(C[NH+]1CCCCC1)NC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025295222	0	53	0.0	-69.89	414.78	1.82	-68.07
CC1C(C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025295226	0	53	0.0	-68.77	414.35	1.16	-67.61
CC1C(C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025295226	1	53	0.0	-68.73	418.90	1.52	-67.21
C[N@@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295426	0	50	0.0	-73.56	405.16	2.90	-70.66
C[N@H+]1CCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295426	1	50	0.0	-71.98	401.72	2.46	-69.52
C[N@@H+]1CCOC(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025295450	1	51	0.0	-83.96	414.72	2.27	-81.69
C[N@H+]1CCOC(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025295450	1	51	0.0	-91.37	415.40	2.27	-89.10
CC1=[NH+]C=CN1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295589	1	48	0.0	-73.53	411.34	3.62	-69.91
C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025295608	0	53	0.0	-83.35	418.02	2.91	-80.44
C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025295608	1	53	0.0	-79.76	423.29	3.55	-76.21
C[NH+](C)C1(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CCC1	REAL300025295629	0	53	0.0	-81.97	414.42	3.17	-78.80
CC(C)[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025295631	0	55	0.0	-71.22	425.09	3.68	-67.54
C[N@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300025295641	0	53	0.0	-74.14	429.05	4.03	-70.11
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300025295641	1	53	0.0	-70.91	429.31	3.99	-66.92
C[NH+]1CCC(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025295667	0	53	0.0	-81.48	426.43	3.55	-77.93
C[N@@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295673	0	53	0.0	-71.39	410.62	3.09	-68.30
C[N@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295673	1	53	0.0	-70.26	422.42	3.55	-66.71
CC1=C[NH+]=CN1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295690	1	48	0.0	-75.42	412.71	4.38	-71.04
C[N@@H+]1CCC(CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025295700	0	53	0.0	-76.14	428.44	3.62	-72.52
C[N@H+]1CCC(CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025295700	1	53	0.0	-75.66	428.60	3.64	-72.02
CCC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025295703	0	52	0.0	-74.74	411.62	3.09	-71.65
C[NH+](C)CCCCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295717	0	55	0.0	-79.65	448.28	4.21	-75.44
CC(C)C(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025295721	0	55	0.0	-74.85	426.27	3.68	-71.17
CCC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295722	0	55	0.0	-79.80	444.54	4.04	-75.76
CCC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295722	1	55	0.0	-78.91	444.50	4.02	-74.89
CCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295723	0	52	0.0	-73.37	422.19	3.47	-69.90
CCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295723	1	52	0.0	-76.32	422.18	3.47	-72.85
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295738	0	50	0.0	-76.45	401.58	2.53	-73.92
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295738	1	50	0.0	-70.13	405.31	2.81	-67.32
CC[NH+](CC)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295750	0	52	0.0	-74.10	414.49	3.11	-70.99
C[NH+](C)CC1(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025295804	0	53	0.0	-75.18	431.07	3.56	-71.62
C[NH+]1CCC(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025295828	0	53	0.0	-81.48	426.43	3.55	-77.93
CC(C)[C@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025295843	0	55	0.0	-75.18	425.95	3.52	-71.66
CC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295871	0	52	0.0	-78.14	423.01	3.28	-74.86
CC[N@@H+](C)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295871	1	52	0.0	-78.14	423.01	3.27	-74.87
CC1CCC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295882	0	53	0.0	-70.82	427.08	3.78	-67.04
CC1CCC[N@H+]1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295882	1	53	0.0	-70.79	427.05	3.78	-67.01
CC1CC[N@H+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025295883	0	53	0.0	-72.84	427.92	3.73	-69.11
CC1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025295883	1	53	0.0	-75.66	429.07	3.79	-71.87
CC[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025295885	0	52	0.0	-73.72	408.78	2.80	-70.92
C[NH+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295922	0	46	0.0	-75.97	382.91	2.04	-73.93
CN1C=C[N+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=C1	REAL300025295923	0	48	0.0	-70.63	414.30	5.50	-65.13
C[N@@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025295926	0	53	0.0	-71.20	418.96	3.64	-67.56
C[N@H+]1CCCC(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025295926	1	53	0.0	-75.38	418.82	3.70	-71.68
CC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025295934	1	50	0.0	-74.89	410.14	2.88	-72.01
C[NH+](C)CC(C)(C)C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025295937	0	55	0.0	-75.96	420.90	3.60	-72.36
C[N@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025295944	0	50	0.0	-73.41	410.87	3.41	-70.00
C[N@@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025295944	1	50	0.0	-73.31	412.32	3.45	-69.86
C[NH+]1CC(CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025295955	0	50	0.0	-77.98	414.24	2.89	-75.09
C[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025295967	0	49	0.0	-71.14	399.78	2.32	-68.82
[N-]=[N+]=NCC(=O)N1CCC2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025295974	0	40	0.0	-27.33	359.87	-2.37	-29.70
C[N@H+](CCO)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296006	0	53	0.0	-78.87	433.39	0.07	-78.80
C[N@@H+](CCO)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296006	1	53	0.0	-77.44	433.35	0.04	-77.40
C[C@@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025296007	0	49	0.0	-71.14	399.78	2.32	-68.82
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296010	0	53	0.0	-71.32	410.65	3.08	-68.24
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296010	1	53	0.0	-70.22	422.41	3.55	-66.67
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C[NH+]1CCC1)C2	REAL300025296037	1	47	0.0	-77.60	392.17	2.42	-75.18
C[N@@H+]1CCC(=CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025296047	0	51	0.0	-81.74	419.85	3.50	-78.24
C[N@H+]1CCC(=CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025296047	1	51	0.0	-80.88	419.53	3.53	-77.35
C[NH+](C)CCOCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296057	0	53	0.0	-76.99	437.47	3.12	-73.87
C[C@H](C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025296068	0	49	0.0	-74.84	398.13	2.23	-72.61
CC1C[NH+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025296085	1	50	0.0	-77.37	413.16	3.03	-74.34
C[N@H+](CCO)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296098	1	50	0.0	-76.95	411.03	-0.52	-77.47
C[N@@H+](CCO)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296098	1	50	0.0	-73.47	410.83	-0.51	-73.98
CC(CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C[NH+](C)C	REAL300025296110	0	55	0.0	-79.34	438.78	4.02	-75.32
CC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296112	0	49	0.0	-72.89	400.69	2.72	-70.17
CC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296112	1	49	0.0	-76.05	400.68	2.72	-73.33
CC[N@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025296122	0	53	0.0	-73.05	431.12	4.05	-69.00
CC[N@@H+](CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025296122	1	53	0.0	-74.12	426.29	3.78	-70.34
CC[NH+](CC)CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296128	0	55	0.0	-77.28	440.86	3.97	-73.31
CC1(C)C[NH+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025296136	1	53	0.0	-73.82	432.47	3.61	-70.21
C[NH+](C)CC=CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296143	0	50	0.0	-82.91	417.90	3.23	-79.68
COCC[N@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296152	1	53	0.0	-73.27	433.09	1.89	-71.38
COCC[N@@H+](C)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296152	1	53	0.0	-77.22	433.28	1.88	-75.34
CC(CCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025296161	0	55	0.0	-82.42	436.55	3.79	-78.63
CC[N@@H+]1CCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296165	1	50	0.0	-75.44	402.80	2.57	-72.87
CC[N@H+]1CCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296165	1	50	0.0	-72.99	413.09	2.93	-70.06
C=CCC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025296190	0	53	0.0	-70.17	423.92	3.40	-66.77
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C[NH+]1CC3CC3C1)C2	REAL300025296198	0	51	0.0	-72.47	418.53	3.88	-68.59
CCCC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025296204	0	55	0.0	-71.79	432.02	3.71	-68.08
C[NH+](C)C(C)(C)C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296206	0	52	0.0	-80.48	401.52	2.60	-77.88
C[N@@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296216	0	53	0.0	-71.39	410.62	3.09	-68.30
C[N@H+]1CCCCC1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296216	1	53	0.0	-70.26	422.42	3.55	-66.71
C[NH+](C)C1(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025296253	0	50	0.0	-74.30	403.50	2.31	-71.99
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)CC[NH+]1CCCC1)C2	REAL300025296254	0	53	0.0	-78.72	429.93	3.75	-74.97
C[N@@H+]1CC2CC1(C(=O)N1CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C1)C2	REAL300025296264	0	51	0.0	-68.54	404.58	3.30	-65.24
C[N@H+]1CC2CC1(C(=O)N1CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C1)C2	REAL300025296264	1	51	0.0	-74.60	409.24	3.14	-71.46
CC(C[NH+](C)C)C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296300	0	52	0.0	-70.79	419.71	3.12	-67.67
CC(C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CC(C)C1	REAL300025296323	0	53	0.0	-71.28	431.06	3.52	-67.76
CC1CC[N@@H+]1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296324	1	50	0.0	-71.10	414.36	3.06	-68.04
CC1CC[N@H+]1CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296324	1	50	0.0	-75.10	414.27	3.17	-71.93
C[NH+](C)CC(O)CC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296326	0	53	0.0	-83.05	435.42	1.12	-81.93
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025296356	0	53	0.0	-74.28	431.24	3.72	-70.56
CC(CC[NH+](C)C)C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025296357	0	55	0.0	-78.04	443.44	3.80	-74.24
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296527	0	50	0.0	-70.27	406.65	2.92	-67.35
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296527	1	50	0.0	-72.76	401.97	2.55	-70.21
C[N@@H+]1CCOC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025296553	1	51	0.0	-85.51	416.76	2.37	-83.14
C[N@H+]1CCOC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025296553	1	51	0.0	-76.15	409.11	2.19	-73.96
C[N@@H+]1CCC(CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025296703	0	53	0.0	-76.00	428.90	3.57	-72.43
C[N@H+]1CCC(CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025296703	1	53	0.0	-76.47	428.30	3.58	-72.89
CCC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025296706	0	52	0.0	-68.92	416.11	3.19	-65.73
C[NH+](C)CCCCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296716	0	55	0.0	-73.25	448.31	4.19	-69.06
CC(C)C(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025296721	0	55	0.0	-66.29	428.47	3.95	-62.34
CCC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296722	0	55	0.0	-72.96	444.67	3.99	-68.97
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296722	1	55	0.0	-71.61	444.51	4.03	-67.58
CCC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296723	0	52	0.0	-70.69	422.30	3.43	-67.26
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296723	1	52	0.0	-70.75	422.30	3.43	-67.32
C[NH+](C)CC1(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025296762	0	53	0.0	-85.06	424.48	3.45	-81.61
CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296768	0	52	0.0	-72.27	423.17	3.26	-69.01
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296768	1	52	0.0	-72.35	423.17	3.26	-69.09
C[NH+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025296792	0	53	0.0	-74.54	425.29	3.48	-71.06
CC(C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025296807	0	55	0.0	-70.55	424.87	3.66	-66.89
C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CCC1	REAL300025296831	0	53	0.0	-77.10	413.12	3.29	-73.81
CC1CCC[N@@H+]1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296856	0	53	0.0	-67.29	421.74	3.39	-63.90
CC1CCC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296856	1	53	0.0	-72.58	427.85	3.73	-68.85
CC(C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025296867	0	55	0.0	-68.56	423.92	3.60	-64.96
CC1CC[N@H+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025296875	0	53	0.0	-72.42	428.06	3.64	-68.78
CC1CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025296875	1	53	0.0	-69.59	428.41	3.70	-65.89
CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025296877	0	52	0.0	-66.69	416.53	3.21	-63.48
CC1=[NH+]C=CN1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296916	1	48	0.0	-68.22	412.47	3.62	-64.60
CC1=C[NH+]=CN1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296934	1	48	0.0	-70.38	411.77	4.33	-66.05
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025296935	0	53	0.0	-76.25	418.31	3.30	-72.95
C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025296935	1	53	0.0	-76.74	424.48	3.25	-73.49
C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025296967	0	53	0.0	-68.61	429.22	4.01	-64.60
C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025296967	1	53	0.0	-68.86	429.19	4.00	-64.86
C[NH+]1CCC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025296974	0	53	0.0	-74.54	425.29	3.48	-71.06
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296987	0	50	0.0	-70.95	401.00	2.48	-68.47
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025296987	1	50	0.0	-70.34	405.18	2.96	-67.38
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297030	0	53	0.0	-70.74	423.19	3.59	-67.15
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297030	1	53	0.0	-69.93	423.64	3.61	-66.32
CC1C(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025297059	0	53	0.0	-71.99	420.15	3.38	-68.61
CC1C(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025297059	1	53	0.0	-71.19	424.61	3.64	-67.55
C[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025297100	0	49	0.0	-72.95	400.35	2.43	-70.52
O=C(CC[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297118	0	53	0.0	-70.29	431.24	3.80	-66.49
C[N@H+](CCO)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297123	1	50	0.0	-71.08	411.15	-0.54	-71.62
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297123	1	50	0.0	-71.04	410.91	-0.52	-71.56
CC1C[NH+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025297169	1	50	0.0	-75.28	414.21	3.15	-72.13
CC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297203	0	49	0.0	-70.38	400.80	2.70	-67.68
CC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297203	1	49	0.0	-70.41	400.80	2.69	-67.72
COCC[N@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297256	1	53	0.0	-70.82	433.16	1.88	-68.94
COCC[N@@H+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297256	1	53	0.0	-71.21	433.41	1.86	-69.35
CC(CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025297258	0	55	0.0	-73.31	438.89	3.77	-69.54
CC[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025297263	0	53	0.0	-65.64	431.53	4.08	-61.56
CC[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025297263	1	53	0.0	-66.17	428.97	4.08	-62.09
C[N@@H+]1CC2CC1(C(=O)N1CC3(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025297276	0	51	0.0	-71.85	408.94	3.19	-68.66
C[N@H+]1CC2CC1(C(=O)N1CC3(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025297276	1	51	0.0	-79.62	408.10	3.17	-76.45
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297285	0	52	0.0	-70.68	418.66	3.08	-67.60
C[NH+](C)C1(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025297291	0	50	0.0	-74.68	407.35	2.80	-71.88
C[C@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025297301	0	49	0.0	-69.77	400.76	2.41	-67.36
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297304	1	50	0.0	-73.09	413.54	2.99	-70.10
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297304	1	50	0.0	-69.92	414.73	3.00	-66.92
NC1=CC=[NH+]C=C1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297319	0	46	0.0	-70.49	391.73	0.10	-70.39
CCCC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025297323	0	55	0.0	-69.42	436.33	3.90	-65.52
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297326	0	52	0.0	-73.34	405.23	3.12	-70.22
CC(CC[NH+](C)C)C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297335	0	55	0.0	-71.77	440.26	3.72	-68.05
O=C(C[NH+]1CC2CC2C1)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297395	0	51	0.0	-70.41	418.54	3.91	-66.50
C[N@@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297405	0	53	0.0	-70.74	423.19	3.59	-67.15
C[N@H+]1CCCCC1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297405	1	53	0.0	-69.93	423.64	3.61	-66.32
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025297433	0	51	0.0	-77.14	420.51	3.56	-73.58
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025297433	1	51	0.0	-74.91	420.82	3.59	-71.32
[N-]=[N+]=NCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025297440	0	40	0.0	-25.80	359.91	-2.36	-28.16
CCC1C[NH+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025297456	1	53	0.0	-76.20	435.58	3.91	-72.29
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297461	0	50	0.0	-71.34	405.02	2.90	-68.44
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297461	1	50	0.0	-73.54	400.85	2.51	-71.03
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025297504	0	53	0.0	-73.60	432.64	3.78	-69.82
C[NH+](C)CCOCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297521	0	53	0.0	-72.30	438.81	3.16	-69.14
O=C(C[NH+]1CCCCC1)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297555	0	53	0.0	-68.00	424.68	3.92	-64.08
C[N@@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025297556	0	53	0.0	-69.58	427.82	3.58	-66.00
C[N@H+]1CCCC(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025297556	1	53	0.0	-76.95	418.25	3.50	-73.45
CN1C=C[N+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300025297557	0	48	0.0	-66.82	414.15	5.57	-61.25
C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025297567	0	50	0.0	-66.54	412.23	3.45	-63.09
C[N@@H+](CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025297567	1	50	0.0	-69.83	411.02	3.43	-66.40
CC(CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025297575	0	55	0.0	-75.70	438.79	4.04	-71.66
C[NH+]1CC(CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025297625	0	50	0.0	-70.23	414.20	2.89	-67.34
C[NH+](C)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297632	0	46	0.0	-69.52	382.92	2.06	-67.46
C[N@H+](CCO)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297642	0	53	0.0	-71.48	433.36	0.08	-71.40
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297642	1	53	0.0	-71.79	433.50	0.01	-71.78
C[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025297643	0	49	0.0	-72.95	400.35	2.43	-70.52
CC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300025297657	0	53	0.0	-68.35	428.11	3.50	-64.85
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297658	1	50	0.0	-71.22	408.28	2.88	-68.34
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297658	1	50	0.0	-72.75	413.20	3.06	-69.69
C[NH+](C)CC=CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297660	0	50	0.0	-73.66	418.62	3.26	-70.40
CC1(C)C[NH+](CC(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025297664	1	53	0.0	-75.98	433.53	3.67	-72.31
CC[NH+](CC)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297680	0	52	0.0	-67.63	419.02	3.41	-64.22
O=C(C[NH+]1CCC1)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297685	1	47	0.0	-75.42	393.21	2.53	-72.89
CC[NH+](CC)CCC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297705	0	55	0.0	-69.81	440.89	3.97	-65.84
CC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025297734	1	50	0.0	-73.32	404.98	2.70	-70.62
C[NH+](C)CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297738	0	55	0.0	-71.15	425.73	3.28	-67.87
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297759	0	53	0.0	-74.20	411.34	3.18	-71.02
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297759	1	53	0.0	-71.38	424.68	3.64	-67.74
C[NH+](C)CC(O)CC(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025297769	0	53	0.0	-75.16	435.64	1.07	-74.09
C=CCC(C(=O)N1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025297781	0	53	0.0	-67.09	424.99	3.48	-63.61
NC(=[NH2+])SCC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025297804	0	44	0.0	-79.32	391.44	-1.05	-80.37
CCC1C[NH+](CC(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025297864	0	53	0.0	-78.46	434.54	3.80	-74.66
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025297868	0	50	0.0	-70.53	404.28	2.88	-67.65
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025297868	1	50	0.0	-72.09	400.58	2.51	-69.58
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C[NH+]1CCCCC1)C2	REAL300025297875	0	53	0.0	-76.07	424.66	3.91	-72.16
CC1C(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025297879	0	53	0.0	-74.38	419.31	3.27	-71.11
CC1C(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025297879	1	53	0.0	-76.70	421.20	3.05	-73.65
C[N@@H+]1CCCC1C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298027	0	51	0.0	-65.01	416.74	0.63	-64.38
C[N@H+]1CCCC1C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298027	1	51	0.0	-65.69	417.45	0.75	-64.94
CCC(C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025298127	0	53	0.0	-66.75	422.94	0.88	-65.87
CCC[N@H+](C)CC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298132	0	53	0.0	-68.20	429.87	1.11	-67.09
CCC[N@@H+](C)CC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298132	1	53	0.0	-68.12	429.87	1.11	-67.01
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298140	0	51	0.0	-74.26	410.24	0.27	-73.99
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298140	1	51	0.0	-65.29	416.85	0.76	-64.53
CC[NH+](CC)CC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298145	0	53	0.0	-66.44	426.44	1.09	-65.35
CC[N@H+](C)CCC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298201	0	53	0.0	-68.97	430.43	0.94	-68.03
CC[N@@H+](C)CCC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298201	1	53	0.0	-69.07	430.73	0.91	-68.16
CC[C@@H](C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025298204	0	53	0.0	-65.42	421.86	0.66	-64.76
C[NH+](C)CC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298222	0	47	0.0	-68.58	390.34	-0.28	-68.86
CC(C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025298226	1	51	0.0	-66.35	420.64	0.63	-65.72
C[N@H+](CC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025298232	0	51	0.0	-66.02	420.04	1.10	-64.92
C[N@@H+](CC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025298232	1	51	0.0	-65.40	419.91	1.10	-64.30
C[NH+]1CC(CC(=O)NCC23CC(CO2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025298238	0	51	0.0	-68.62	421.78	0.55	-68.07
C[C@@H](C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025298245	0	50	0.0	-66.33	409.31	0.05	-66.28
[N-]=[N+]=NCC(=O)NCC12CC(CO1)N(C(=O)CSC1=NC(=O)NN1)C2	REAL300025298248	0	41	0.0	-23.06	368.18	-4.74	-27.80
C[C@@H](C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025298266	0	50	0.0	-66.33	409.31	0.05	-66.28
C[C@H](C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025298295	0	50	0.0	-66.86	408.77	0.11	-66.75
CC1C[NH+](CC(=O)NCC23CC(CO2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025298301	1	51	0.0	-68.28	421.29	0.82	-67.46
CC[N@H+](C)CC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298318	0	50	0.0	-67.79	408.37	0.36	-67.43
CC[N@@H+](C)CC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298318	1	50	0.0	-67.70	408.37	0.37	-67.33
C[NH+](C)CC=CC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298334	0	51	0.0	-71.29	426.30	0.93	-70.36
CC[N@@H+]1CCC1C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298340	1	51	0.0	-65.93	414.17	0.58	-65.35
CC[N@H+]1CCC1C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298340	1	51	0.0	-66.92	422.79	0.70	-66.22
C[NH+](C)C(C)(C)C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298353	0	53	0.0	-67.60	417.58	0.92	-66.68
C[NH+](C)C1(C(=O)NCC23CC(CO2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025298375	0	51	0.0	-68.95	413.04	1.40	-67.55
CC(C[NH+](C)C)C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298397	0	53	0.0	-68.70	428.80	1.01	-67.69
CC1CC[N@@H+]1CC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298406	1	51	0.0	-66.05	416.13	0.54	-65.51
CC1CC[N@H+]1CC(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025298406	1	51	0.0	-67.46	422.50	0.77	-66.69
C[N@@H+]1CCCC1C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298515	0	51	0.0	-66.63	413.42	0.48	-66.15
C[N@H+]1CCCC1C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298515	1	51	0.0	-66.76	413.85	0.54	-66.22
CCC(C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2)[NH+](C)C	REAL300025298586	0	53	0.0	-68.58	419.74	0.67	-67.91
CCC[N@H+](C)CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298590	0	53	0.0	-70.00	430.44	1.04	-68.96
CCC[N@@H+](C)CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298590	1	53	0.0	-70.00	430.44	1.05	-68.95
CC[N@H+](C)CCC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298607	0	53	0.0	-70.90	430.73	0.89	-70.01
CC[N@@H+](C)CCC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298607	1	53	0.0	-71.01	430.73	0.90	-70.11
CC[C@@H](C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2)[NH+](C)C	REAL300025298647	0	53	0.0	-67.62	419.33	0.55	-67.07
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298693	0	51	0.0	-68.99	409.16	0.16	-68.83
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298693	1	51	0.0	-66.94	410.93	0.50	-66.44
C[C@@H](C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2)[NH+](C)C	REAL300025298747	0	50	0.0	-68.20	407.49	-0.01	-68.21
CC1C[NH+](CC(=O)N2CC3(CNC(=O)CSC4=NNC(=O)[N-]4)CC2CO3)C1	REAL300025298771	1	51	0.0	-69.70	421.91	0.76	-68.94
CC[N@H+](C)CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298789	0	50	0.0	-69.55	408.94	0.29	-69.26
CC[N@@H+](C)CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298789	1	50	0.0	-69.55	408.95	0.29	-69.26
CC(C[NH+](C)C)C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298819	0	53	0.0	-71.59	428.97	0.77	-70.82
C[NH+](C)C1(C(=O)N2CC3(CNC(=O)CSC4=NNC(=O)[N-]4)CC2CO3)CC1	REAL300025298822	0	51	0.0	-69.10	411.03	0.26	-68.84
C[C@H](C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2)[NH+](C)C	REAL300025298826	0	50	0.0	-68.81	407.21	-0.00	-68.81
CC[N@@H+]1CCC1C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298829	1	51	0.0	-67.18	415.18	0.34	-66.84
CC[N@H+]1CCC1C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298829	1	51	0.0	-67.42	414.30	0.26	-67.16
C[NH+](C)C(C)(C)C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298837	0	53	0.0	-70.11	410.11	0.22	-69.89
[N-]=[N+]=NCC(=O)N1CC2(CNC(=O)CSC3=NC(=O)NN3)CC1CO2	REAL300025298883	0	41	0.0	-24.28	367.30	-4.71	-28.99
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298896	0	51	0.0	-67.08	412.10	0.44	-66.64
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298896	1	51	0.0	-69.16	409.91	0.14	-69.02
C[N@H+](CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2)C1CC1	REAL300025298933	0	51	0.0	-67.27	419.90	1.07	-66.20
C[N@@H+](CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2)C1CC1	REAL300025298933	1	51	0.0	-67.60	420.04	1.07	-66.53
C[NH+]1CC(CC(=O)N2CC3(CNC(=O)CSC4=NNC(=O)[N-]4)CC2CO3)C1	REAL300025298961	0	51	0.0	-70.47	422.08	0.49	-69.98
C[NH+](C)CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298964	0	47	0.0	-70.46	390.64	-0.34	-70.80
C[C@@H](C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2)[NH+](C)C	REAL300025298967	0	50	0.0	-68.20	407.49	-0.01	-68.21
CC1CC[N@@H+]1CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298974	1	51	0.0	-68.32	422.30	0.75	-67.57
CC1CC[N@H+]1CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298974	1	51	0.0	-68.39	421.66	0.77	-67.62
C[NH+](C)CC=CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298975	0	51	0.0	-73.03	425.93	0.87	-72.16
CC[NH+](CC)CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2	REAL300025298981	0	53	0.0	-68.15	426.73	1.02	-67.13
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(CO1)N(C(=O)C[NH+]1CCC1)C2	REAL300025298982	1	48	0.0	-69.86	401.42	0.13	-69.73
CC(C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC1CO2)[NH+]1CCC1	REAL300025299004	1	51	0.0	-67.26	419.71	0.54	-66.72
C[N@@H+]1CCC[C@H]1C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299072	0	51	0.0	-65.31	417.03	0.64	-64.67
C[N@H+]1CCC[C@H]1C(=O)NCC12CC(CO1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299072	1	51	0.0	-68.14	408.24	0.36	-67.78
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299199	0	53	0.0	-75.62	399.98	3.92	-71.70
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299199	1	53	0.0	-75.64	400.15	3.92	-71.72
CCC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025299302	0	55	0.0	-72.61	407.15	4.35	-68.26
CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299307	0	55	0.0	-77.04	419.20	4.79	-72.25
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299307	1	55	0.0	-77.10	419.20	4.79	-72.31
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299315	0	53	0.0	-75.84	399.98	3.92	-71.92
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299315	1	53	0.0	-72.80	402.63	4.37	-68.43
CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299320	0	55	0.0	-75.04	415.72	4.73	-70.31
CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299378	0	55	0.0	-77.68	420.08	4.60	-73.08
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299378	1	55	0.0	-77.68	420.12	4.59	-73.09
CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025299381	0	55	0.0	-74.70	413.45	4.53	-70.17
C[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299399	0	49	0.0	-77.30	380.00	3.38	-73.92
CC(C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025299403	1	53	0.0	-73.69	406.34	4.37	-69.32
C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025299410	0	53	0.0	-73.80	409.27	4.79	-69.01
C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025299410	1	53	0.0	-74.44	409.39	4.79	-69.65
C[NH+]1CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025299416	0	53	0.0	-76.55	411.45	4.21	-72.34
C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025299423	0	52	0.0	-74.71	397.75	3.79	-70.92
[N-]=[N+]=NCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NC(=O)NN1	REAL300025299426	0	43	0.0	-24.19	356.97	-1.02	-25.21
C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025299445	0	52	0.0	-74.71	397.75	3.79	-70.92
O=C(C[NH+]1CCC1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299463	1	50	0.0	-77.00	390.07	3.82	-73.18
C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025299474	0	52	0.0	-74.16	395.80	3.76	-70.40
CC1C[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025299481	1	53	0.0	-77.40	410.05	4.54	-72.86
C[N@H+](CCO)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299492	1	53	0.0	-77.45	408.05	0.81	-76.64
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299492	1	53	0.0	-77.06	407.89	0.82	-76.24
CC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299499	0	52	0.0	-76.66	397.70	4.05	-72.61
CC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299499	1	52	0.0	-76.59	397.70	4.05	-72.54
C[NH+](C)CC=CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299517	0	53	0.0	-79.20	416.06	4.62	-74.58
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299523	1	53	0.0	-74.08	405.08	4.11	-69.97
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299523	1	53	0.0	-75.45	411.60	4.41	-71.04
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299537	0	55	0.0	-77.98	403.38	4.33	-73.65
C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025299560	0	53	0.0	-77.96	402.17	4.04	-73.92
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299582	0	55	0.0	-76.80	416.40	4.57	-72.23
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299593	1	53	0.0	-74.39	405.79	4.19	-70.20
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025299593	1	53	0.0	-75.60	411.57	4.44	-71.16
C[N@@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299708	0	53	0.0	-69.52	400.68	4.01	-65.51
C[N@H+]1CCCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299708	1	53	0.0	-69.99	402.79	4.20	-65.79
CCC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025299782	0	55	0.0	-71.00	408.60	4.37	-66.63
CCC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299786	0	55	0.0	-73.62	419.26	4.73	-68.89
CCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299786	1	55	0.0	-73.59	419.20	4.73	-68.86
CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299803	0	55	0.0	-75.13	420.08	4.55	-70.58
CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299803	1	55	0.0	-75.17	420.11	4.55	-70.62
CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025299844	0	55	0.0	-69.96	408.79	4.30	-65.66
C[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299890	0	53	0.0	-72.25	398.37	3.81	-68.44
C[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299890	1	53	0.0	-69.75	401.00	4.15	-65.60
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025299945	0	52	0.0	-71.36	397.26	3.66	-67.70
C[N@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299955	1	53	0.0	-73.98	408.12	0.74	-73.24
C[N@@H+](CCO)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299955	1	53	0.0	-73.78	408.12	0.77	-73.01
CC1C[NH+](CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025299971	1	53	0.0	-74.09	410.04	4.46	-69.63
CC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299989	0	52	0.0	-73.23	397.76	3.98	-69.25
CC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025299989	1	52	0.0	-73.25	397.77	3.99	-69.26
CC(C[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025300022	0	55	0.0	-74.49	415.08	4.37	-70.12
C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025300025	0	53	0.0	-73.93	403.03	3.76	-70.17
C[C@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025300029	0	52	0.0	-71.84	394.90	3.63	-68.21
CC[N@@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025300032	0	53	0.0	-70.68	403.62	4.00	-66.68
CC[N@H+]1CCC1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025300032	1	53	0.0	-70.50	402.94	3.92	-66.58
C[NH+](C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025300041	0	55	0.0	-73.95	399.48	3.61	-70.34
[N-]=[N+]=NCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NC(=O)NN1)C2	REAL300025300090	0	43	0.0	-24.39	356.98	-1.08	-25.47
C[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025300103	0	53	0.0	-69.49	400.62	4.01	-65.48
C[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025300103	1	53	0.0	-72.17	398.36	3.82	-68.35
C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025300140	0	53	0.0	-70.27	409.25	4.72	-65.55
C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025300140	1	53	0.0	-71.05	409.42	4.73	-66.32
C[NH+]1CC(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025300168	0	53	0.0	-74.30	411.33	4.17	-70.13
C[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025300171	0	49	0.0	-74.07	379.99	3.31	-70.76
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025300174	0	52	0.0	-71.36	397.26	3.66	-67.70
CC1CC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025300183	0	53	0.0	-71.20	405.85	4.13	-67.07
CC1CC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025300183	1	53	0.0	-72.26	411.60	4.41	-67.85
C[NH+](C)CC=CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025300184	0	53	0.0	-77.14	414.62	4.51	-72.63
CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025300190	0	55	0.0	-71.44	415.50	4.68	-66.76
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC1	REAL300025300191	1	50	0.0	-73.61	390.33	3.79	-69.82
CC(C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025300214	0	53	0.0	-70.50	398.22	3.85	-66.65
NC(=[NH2+])SCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025300254	0	47	0.0	-77.89	387.94	0.33	-77.56
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025300286	0	53	0.0	-72.97	405.78	4.41	-68.56
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025300286	1	53	0.0	-75.74	400.02	3.93	-71.81
C[NH+](C)CC(=O)N1CCCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025300338	0	53	0.0	-71.09	410.31	2.30	-68.79
[N-]=[N+]=NCC(=O)N1CCCC2(C1)CN(C(=O)CSC1=NC(=O)NN1)CCO2	REAL300025300343	0	47	0.0	-24.33	388.62	-2.00	-26.33
[N-]=[N+]=NCC(=O)N1CCOC2(CCCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025300402	0	47	0.0	-23.58	388.63	-1.99	-25.57
C[NH+](C)CC(=O)N1CCOC2(CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025300409	0	53	0.0	-76.62	411.67	2.40	-74.22
C[NH+](C)CC(=O)NCC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025300555	0	52	0.0	-73.44	418.31	2.80	-70.64
C[C@@H](C(=O)NCC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025300560	0	55	0.0	-72.04	436.40	3.19	-68.85
[N-]=[N+]=NCC(=O)NCC1CC12CCN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300025300563	0	46	0.0	-24.15	395.33	-1.60	-25.75
C[C@@H](C(=O)NCC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025300573	0	55	0.0	-72.04	436.40	3.19	-68.85
O=C(C[NH+]1CCC1)NCC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025300581	1	53	0.0	-73.69	428.47	3.23	-70.46
C[C@H](C(=O)NCC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025300586	0	55	0.0	-71.35	436.32	3.20	-68.15
CC[N@H+](C)CC(=O)NCC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025300598	0	55	0.0	-72.79	436.03	3.47	-69.32
CC[N@@H+](C)CC(=O)NCC1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025300598	1	55	0.0	-72.86	436.03	3.46	-69.40
C[C@@H](C(=O)N1CCC2(CC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025300744	0	55	0.0	-69.00	434.29	3.08	-65.92
CC[N@H+](C)CC(=O)N1CCC2(CC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025300763	0	55	0.0	-70.34	436.02	3.39	-66.95
CC[N@@H+](C)CC(=O)N1CCC2(CC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025300763	1	55	0.0	-70.39	436.02	3.38	-67.01
C[C@H](C(=O)N1CCC2(CC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025300776	0	55	0.0	-68.45	434.26	3.05	-65.40
[N-]=[N+]=NCC(=O)N1CCC2(CC2CNC(=O)CSC2=NC(=O)NN2)CC1	REAL300025300801	0	46	0.0	-24.29	395.29	-1.69	-25.98
C[NH+](C)CC(=O)N1CCC2(CC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025300832	0	52	0.0	-71.21	418.30	2.71	-68.50
C[C@@H](C(=O)N1CCC2(CC2CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025300835	0	55	0.0	-69.00	434.29	3.08	-65.92
O=C(CSC1=NNC(=O)[N-]1)NCC1CC12CCN(C(=O)C[NH+]1CCC1)CC2	REAL300025300842	1	53	0.0	-70.93	428.40	3.13	-67.80
C[N@@H+]1CCCC1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301034	0	50	0.0	-71.44	403.99	-2.03	-73.47
C[N@H+]1CCCC1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301034	1	50	0.0	-74.68	404.07	-2.02	-76.70
CC1=[NH+]C=CN1CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301185	1	48	0.0	-68.57	413.96	-0.85	-69.42
C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC[N@@H+]1C	REAL300025301203	0	53	0.0	-76.64	421.29	-1.33	-77.97
C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC[N@H+]1C	REAL300025301203	1	53	0.0	-77.79	426.93	-1.26	-79.05
C[NH+](C)C1(C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CCC1	REAL300025301220	0	53	0.0	-70.13	418.18	-1.09	-71.22
C[N@H+](CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CCC1	REAL300025301230	0	53	0.0	-71.12	429.93	-0.54	-71.66
C[N@@H+](CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CCC1	REAL300025301230	1	53	0.0	-71.80	429.94	-0.53	-72.33
C[NH+]1CCC(C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300025301251	0	53	0.0	-75.36	429.56	-0.86	-76.22
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301257	0	53	0.0	-69.26	426.52	-0.87	-70.13
C[N@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301257	1	53	0.0	-67.52	426.52	-0.87	-68.39
CC1=C[NH+]=CN1CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301274	1	48	0.0	-74.01	413.42	-0.17	-74.18
C[N@@H+]1CCC(CC(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025301283	0	53	0.0	-75.44	430.98	-0.86	-76.30
C[N@H+]1CCC(CC(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025301283	1	53	0.0	-77.02	430.75	-0.98	-78.00
CCC(C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300025301286	0	52	0.0	-71.36	413.90	-1.50	-72.86
CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301302	0	52	0.0	-72.04	424.25	-1.12	-73.16
CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301302	1	52	0.0	-73.51	422.94	-1.11	-74.62
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301316	0	50	0.0	-71.42	403.98	-2.03	-73.45
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301316	1	50	0.0	-68.35	409.62	-1.39	-69.74
CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301328	0	52	0.0	-71.35	419.81	-1.16	-72.51
C[NH+](C)CC1(C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300025301380	0	53	0.0	-68.60	436.83	-0.84	-69.44
C[NH+]1CCC(C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300025301401	0	53	0.0	-75.36	429.56	-0.86	-76.22
CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301438	0	52	0.0	-75.44	423.81	-1.30	-76.74
CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301438	1	52	0.0	-75.29	423.80	-1.31	-76.60
CC1CCC[N@@H+]1CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301446	0	53	0.0	-70.85	430.07	-0.92	-71.77
CC1CCC[N@H+]1CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301446	1	53	0.0	-68.51	423.69	-1.13	-69.64
CC1CC[N@H+](CC(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025301447	0	53	0.0	-70.91	431.26	-0.90	-71.81
CC1CC[N@@H+](CC(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025301447	1	53	0.0	-73.32	429.89	-0.81	-74.13
CC[C@@H](C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300025301449	0	52	0.0	-71.88	414.07	-1.52	-73.40
C[NH+](C)CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301480	0	46	0.0	-73.94	383.71	-2.52	-76.46
CN1C=C[N+](CC(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)=C1	REAL300025301481	0	48	0.0	-72.14	414.89	1.00	-71.14
C[N@@H+]1CCCC(C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025301484	0	53	0.0	-72.68	429.39	-0.88	-73.56
C[N@H+]1CCCC(C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025301484	1	53	0.0	-68.99	421.98	-0.70	-69.69
CC(C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+]1CCC1	REAL300025301491	1	50	0.0	-68.83	412.31	-1.43	-70.26
C[N@H+](CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CC1	REAL300025301499	0	50	0.0	-70.28	412.92	-1.11	-71.39
C[N@@H+](CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CC1	REAL300025301499	1	50	0.0	-71.09	413.08	-1.10	-72.19
C[NH+]1CC(CC(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025301509	0	50	0.0	-76.13	415.00	-1.70	-77.83
C[C@@H](C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300025301520	0	49	0.0	-73.35	402.17	-2.19	-75.54
[N-]=[N+]=NCC(=O)NC[C@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1O	REAL300025301527	0	40	0.0	-27.92	360.64	-6.93	-34.85
C[C@@H](C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300025301558	0	49	0.0	-73.35	402.17	-2.19	-75.54
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301561	0	53	0.0	-69.23	417.64	-1.09	-70.32
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301561	1	53	0.0	-67.34	426.52	-0.85	-68.19
O=C(C[NH+]1CCC1)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301586	1	47	0.0	-74.02	394.11	-2.02	-76.04
C[N@@H+]1CCC(=CC(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025301593	0	51	0.0	-78.60	422.76	-1.01	-79.61
C[N@H+]1CCC(=CC(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025301593	1	51	0.0	-76.17	423.67	-0.96	-77.13
C[C@H](C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300025301610	0	49	0.0	-71.18	401.80	-2.11	-73.29
CC1C[NH+](CC(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025301624	1	50	0.0	-74.05	415.14	-1.45	-75.50
C[N@H+](CCO)CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301637	1	50	0.0	-74.59	411.79	-5.09	-79.68
C[N@@H+](CCO)CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301637	1	50	0.0	-72.05	412.88	-5.10	-77.15
CC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301649	0	49	0.0	-71.68	402.74	-1.87	-73.55
CC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301649	1	49	0.0	-73.18	401.44	-1.85	-75.03
CC[N@H+](CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CC1	REAL300025301659	0	53	0.0	-69.60	432.25	-0.48	-70.08
CC[N@@H+](CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)C1CC1	REAL300025301659	1	53	0.0	-70.36	430.02	-0.54	-70.90
CC1(C)C[NH+](CC(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025301671	1	53	0.0	-73.71	434.27	-0.96	-74.67
C[NH+](C)CC=CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301678	0	50	0.0	-79.22	419.62	-1.32	-80.54
CC[N@@H+]1CCC1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301695	1	50	0.0	-70.90	408.45	-1.80	-72.70
CC[N@H+]1CCC1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301695	1	50	0.0	-70.01	409.53	-1.86	-71.87
C=CCC(C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+](C)C	REAL300025301714	0	53	0.0	-70.07	427.37	-1.01	-71.08
O=C(C[NH+]1CC2CC2C1)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301721	0	51	0.0	-73.21	418.48	-0.68	-73.89
C[NH+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301726	0	52	0.0	-74.10	411.15	-1.36	-75.46
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301736	0	53	0.0	-69.26	426.52	-0.87	-70.13
C[N@H+]1CCCCC1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301736	1	53	0.0	-67.52	426.52	-0.87	-68.39
C[NH+](C)C1(C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC1	REAL300025301768	0	50	0.0	-74.55	409.48	-1.50	-76.05
O=C(CC[NH+]1CCCC1)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301769	0	53	0.0	-75.44	431.97	-0.84	-76.28
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1O)C2	REAL300025301779	0	51	0.0	-72.12	415.63	-1.28	-73.40
C[N@H+]1CC2CC1(C(=O)NC[C@H]1CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1O)C2	REAL300025301779	1	51	0.0	-76.34	416.44	-1.45	-77.79
CC(C[NH+](C)C)C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301813	0	52	0.0	-73.74	423.38	-1.24	-74.98
CC(C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O)[NH+]1CC(C)C1	REAL300025301832	1	53	0.0	-68.98	432.43	-0.81	-69.79
CC1CC[N@@H+]1CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301833	1	50	0.0	-70.36	416.11	-1.42	-71.78
CC1CC[N@H+]1CC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025301833	1	50	0.0	-71.58	409.44	-1.72	-73.30
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025301861	0	53	0.0	-77.15	433.58	-0.85	-78.00
C[N@@H+]1CCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302021	0	50	0.0	-75.70	403.20	-2.04	-77.74
C[N@H+]1CCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302021	1	50	0.0	-78.03	402.30	-2.08	-80.11
C[N@@H+]1CCC(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025302188	0	53	0.0	-82.59	430.58	-1.01	-83.60
C[N@H+]1CCC(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025302188	1	53	0.0	-80.48	431.10	-0.95	-81.43
CCC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025302191	0	52	0.0	-76.28	413.80	-1.48	-77.76
CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302203	0	52	0.0	-77.87	422.89	-1.16	-79.03
CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302203	1	52	0.0	-77.36	423.78	-1.08	-78.44
C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025302239	0	53	0.0	-79.40	428.82	-1.14	-80.54
CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302244	0	52	0.0	-80.44	423.75	-1.34	-81.78
CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302244	1	52	0.0	-79.59	424.93	-1.30	-80.89
C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025302266	0	53	0.0	-83.18	427.56	-1.07	-84.25
C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025302298	0	53	0.0	-84.48	416.08	-1.30	-85.78
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302320	0	53	0.0	-74.41	422.74	-1.25	-75.66
CC1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302320	1	53	0.0	-74.30	422.39	-1.20	-75.50
CC1CC[N@H+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025302337	0	53	0.0	-77.17	429.76	-0.85	-78.02
CC1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025302337	1	53	0.0	-76.64	430.58	-0.78	-77.42
CC[C@@H](C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025302339	0	52	0.0	-76.28	411.01	-1.55	-77.83
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302374	1	48	0.0	-74.18	413.27	-0.99	-75.17
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302392	1	48	0.0	-77.67	413.63	-0.26	-77.93
C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025302393	0	53	0.0	-83.15	420.61	-1.64	-84.79
C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025302393	1	53	0.0	-79.69	425.62	-1.02	-80.71
C[N@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025302420	0	53	0.0	-75.38	429.76	-0.59	-75.97
C[N@@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025302420	1	53	0.0	-75.92	429.89	-0.58	-76.50
C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025302425	0	53	0.0	-83.18	427.56	-1.07	-84.25
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302437	0	50	0.0	-76.04	402.34	-2.09	-78.13
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302437	1	50	0.0	-75.15	405.42	-1.86	-77.01
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302477	0	53	0.0	-74.27	425.20	-0.96	-75.23
C[N@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302477	1	53	0.0	-78.69	416.98	-1.26	-79.95
CC1C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025302505	0	53	0.0	-76.83	426.31	-1.25	-78.08
CC1C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025302505	1	53	0.0	-82.11	427.13	-1.35	-83.46
C[C@@H](C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025302542	0	49	0.0	-76.44	400.03	-2.29	-78.73
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@H]1O	REAL300025302559	0	53	0.0	-79.21	433.33	-0.83	-80.04
C[N@H+](CCO)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302564	1	50	0.0	-78.88	411.74	-5.14	-84.02
C[N@@H+](CCO)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302564	1	50	0.0	-78.33	411.52	-5.15	-83.48
CC1C[NH+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025302602	1	50	0.0	-78.32	414.61	-1.35	-79.67
CC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302631	0	49	0.0	-77.51	401.38	-1.90	-79.41
CC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302631	1	49	0.0	-77.60	401.39	-1.90	-79.50
CC[N@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025302684	0	53	0.0	-74.19	432.71	-0.55	-74.74
CC[N@@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025302684	1	53	0.0	-74.91	430.05	-0.57	-75.48
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025302696	0	51	0.0	-80.10	410.65	-1.21	-81.31
C[N@H+]1CC2CC1(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025302696	1	51	0.0	-81.84	408.34	-1.44	-83.28
CC(C[NH+](C)C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302705	0	52	0.0	-80.16	417.72	-1.60	-81.76
C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025302711	0	50	0.0	-81.28	407.16	-2.08	-83.36
C[C@H](C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025302720	0	49	0.0	-75.38	400.86	-2.28	-77.66
CC[N@@H+]1CCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302723	1	50	0.0	-77.27	404.40	-2.03	-79.30
CC[N@H+]1CCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302723	1	50	0.0	-76.10	406.81	-2.08	-78.18
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302733	0	46	0.0	-81.41	391.47	-4.70	-86.11
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302739	0	52	0.0	-80.92	403.71	-2.07	-82.99
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@H]1O	REAL300025302800	0	51	0.0	-78.11	419.33	-0.70	-78.81
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302806	0	53	0.0	-74.27	425.20	-0.96	-75.23
C[N@H+]1CCCCC1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302806	1	53	0.0	-78.69	416.98	-1.26	-79.95
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025302827	0	51	0.0	-81.47	422.63	-0.98	-82.45
C[N@H+]1CCC(=CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025302827	1	51	0.0	-82.73	421.01	-1.05	-83.78
[N-]=[N+]=NCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025302834	0	40	0.0	-28.06	361.97	-6.99	-35.05
CCC1C[NH+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025302848	1	53	0.0	-79.24	436.50	-0.82	-80.06
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302853	0	50	0.0	-75.02	404.85	-1.74	-76.76
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302853	1	50	0.0	-77.39	403.66	-2.09	-79.48
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025302886	0	53	0.0	-78.27	434.02	-0.77	-79.04
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@H]1O	REAL300025302924	0	53	0.0	-77.60	425.60	-0.73	-78.33
C[N@@H+]1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025302925	0	53	0.0	-76.31	420.38	-0.85	-77.16
C[N@H+]1CCCC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025302925	1	53	0.0	-66.86	417.99	-0.99	-67.85
CN1C=C[N+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025302926	0	48	0.0	-76.09	414.89	0.95	-75.14
C[N@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025302936	0	50	0.0	-74.62	413.13	-1.18	-75.80
C[N@@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025302936	1	50	0.0	-75.49	413.27	-1.17	-76.66
C[NH+]1CC(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025302985	0	50	0.0	-79.41	416.29	-1.74	-81.15
C[NH+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025302991	0	46	0.0	-77.92	385.01	-2.58	-80.50
C[C@@H](C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025302999	0	49	0.0	-76.44	400.03	-2.29	-78.73
CC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025303013	0	53	0.0	-77.24	431.82	-1.09	-78.33
CC1CC[N@@H+]1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303014	1	50	0.0	-75.36	410.72	-1.77	-77.13
CC1CC[N@H+]1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303014	1	50	0.0	-76.69	416.37	-1.51	-78.20
C[NH+](C)CC=CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303016	0	50	0.0	-83.14	421.49	-1.35	-84.49
CC1(C)C[NH+](CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025303020	1	53	0.0	-77.66	434.93	-0.93	-78.59
CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303032	0	52	0.0	-75.53	421.07	-1.22	-76.75
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1O	REAL300025303037	1	47	0.0	-77.74	394.85	-2.02	-79.76
CC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025303076	1	50	0.0	-75.95	411.71	-1.75	-77.70
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303097	0	53	0.0	-77.49	417.49	-1.33	-78.82
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303097	1	53	0.0	-73.78	425.46	-1.04	-74.82
C=CCC(C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025303116	0	53	0.0	-73.72	425.17	-1.26	-74.98
NC(=[NH2+])SCC(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025303137	0	44	0.0	-75.58	392.20	-5.65	-81.23
CCC1C[NH+](CC(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)C1	REAL300025303186	1	53	0.0	-72.99	437.64	-0.67	-73.66
C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025303190	0	50	0.0	-71.03	409.46	-1.49	-72.52
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025303190	1	50	0.0	-72.03	404.96	-1.97	-74.00
O=C(C[NH+]1CCCCC1)NC[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300025303196	0	53	0.0	-72.83	425.43	-0.65	-73.48
CC1C(C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC[N@@H+]1C	REAL300025303200	0	53	0.0	-70.27	430.83	-0.95	-71.22
CC1C(C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)CC[N@H+]1C	REAL300025303200	1	53	0.0	-72.14	430.58	-0.93	-73.07
C[NH+](C)CC(=O)NCC1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025303298	0	53	0.0	-62.00	432.71	0.84	-61.16
[N-]=[N+]=NCC(=O)NCC1CCCC2(CN(C(=O)CSC3=NC(=O)NN3)C2)O1	REAL300025303303	0	47	0.0	-24.00	409.68	-3.32	-27.32
[N-]=[N+]=NCC(=O)N1CC2(C1)CCCC(CNC(=O)CSC1=NC(=O)NN1)O2	REAL300025303362	0	47	0.0	-24.33	409.66	-3.33	-27.66
C[NH+](C)CC(=O)N1CC2(C1)CCCC(CNC(=O)CSC1=NNC(=O)[N-]1)O2	REAL300025303369	0	53	0.0	-71.90	432.70	1.08	-70.82
C[N@@H+]1CCCC1C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303481	0	53	0.0	-56.80	404.39	3.58	-53.22
C[N@H+]1CCCC1C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303481	1	53	0.0	-60.41	409.19	3.95	-56.46
CCC(C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025303584	0	55	0.0	-53.13	416.63	4.90	-48.23
CCC[N@H+](C)CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303589	0	55	0.0	-60.25	424.72	4.20	-56.05
CCC[N@@H+](C)CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303589	1	55	0.0	-60.70	424.90	4.48	-56.22
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303597	0	53	0.0	-51.82	402.35	4.27	-47.55
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303597	1	53	0.0	-67.39	411.46	3.93	-63.46
CC[NH+](CC)CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303602	0	55	0.0	-54.33	422.09	5.07	-49.26
CC[N@H+](C)CCC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303660	0	55	0.0	-64.47	425.58	4.13	-60.34
CC[N@@H+](C)CCC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303660	1	55	0.0	-60.90	426.42	5.05	-55.85
CC[C@@H](C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025303663	0	55	0.0	-62.16	415.89	3.92	-58.24
C[NH+](C)CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303681	0	49	0.0	-61.52	385.49	2.87	-58.65
CC(C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025303685	1	53	0.0	-60.12	409.21	3.70	-56.42
C[N@H+](CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025303692	0	53	0.0	-57.82	414.75	4.28	-53.54
C[N@@H+](CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025303692	1	53	0.0	-58.72	414.89	4.28	-54.44
C[NH+]1CC(CC(=O)N2CCC3(CCCN3C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025303698	0	53	0.0	-67.12	416.78	3.72	-63.40
C[C@@H](C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025303705	0	52	0.0	-59.56	398.65	4.08	-55.48
[N-]=[N+]=NCC(=O)N1CCC2(CCCN2C(=O)CSC2=NC(=O)NN2)C1	REAL300025303708	0	43	0.0	-21.92	363.40	-0.68	-22.60
C[C@@H](C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025303727	0	52	0.0	-59.56	398.65	4.08	-55.48
O=C(CSC1=NNC(=O)[N-]1)N1CCCC12CCN(C(=O)C[NH+]1CCC1)C2	REAL300025303745	1	50	0.0	-60.83	395.59	3.29	-57.54
C[C@H](C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025303756	0	52	0.0	-55.11	401.89	4.13	-50.98
CC1C[NH+](CC(=O)N2CCC3(CCCN3C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025303763	1	53	0.0	-61.05	416.78	3.96	-57.09
C[N@H+](CCO)CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303774	1	53	0.0	-60.74	413.75	0.50	-60.24
C[N@@H+](CCO)CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303774	1	53	0.0	-60.06	413.53	0.23	-59.83
CC[N@H+](C)CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303781	0	52	0.0	-60.13	403.22	3.45	-56.68
CC[N@@H+](C)CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303781	1	52	0.0	-60.62	403.40	3.74	-56.88
C[NH+](C)CC=CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303799	0	53	0.0	-70.85	421.78	4.11	-66.74
CC[N@@H+]1CCC1C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303805	1	53	0.0	-56.77	410.10	4.38	-52.39
CC[N@H+]1CCC1C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303805	1	53	0.0	-60.41	417.10	3.91	-56.50
C[NH+](C)C(C)(C)C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303819	0	55	0.0	-58.20	400.99	3.70	-54.50
C[NH+](C)C1(C(=O)N2CCC3(CCCN3C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025303842	0	53	0.0	-57.06	402.64	3.71	-53.35
CC(C[NH+](C)C)C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303864	0	55	0.0	-64.36	423.64	4.00	-60.36
CC1CC[N@@H+]1CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303875	1	53	0.0	-58.83	411.27	3.67	-55.16
CC1CC[N@H+]1CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025303875	1	53	0.0	-58.90	411.52	3.73	-55.17
C[N@@H+]1CCCC1C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025303990	0	53	0.0	-68.07	408.87	3.55	-64.52
C[N@H+]1CCCC1C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025303990	1	53	0.0	-64.41	408.48	4.67	-59.74
CCC(C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025304064	0	55	0.0	-67.60	415.61	4.86	-62.74
CCC[N@H+](C)CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304067	0	55	0.0	-67.69	425.63	5.20	-62.49
CCC[N@@H+](C)CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304067	1	55	0.0	-71.73	424.70	4.28	-67.45
CC[N@H+](C)CCC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304083	0	55	0.0	-72.98	425.58	4.09	-68.89
CC[N@@H+](C)CCC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304083	1	55	0.0	-68.77	426.42	5.02	-63.75
CC[C@@H](C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025304109	0	55	0.0	-62.09	414.01	4.64	-57.45
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304146	0	53	0.0	-72.98	404.06	3.37	-69.61
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304146	1	53	0.0	-68.28	406.65	3.83	-64.45
C[C@@H](C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025304191	0	52	0.0	-64.10	402.92	4.14	-59.96
C[N@H+](CCO)CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304201	1	53	0.0	-67.41	414.48	1.22	-66.19
C[N@@H+](CCO)CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304201	1	53	0.0	-71.58	413.51	0.31	-71.27
CC1C[NH+](CC(=O)N2CCCC23CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025304217	1	53	0.0	-68.25	416.38	4.94	-63.31
CC[N@H+](C)CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304233	0	52	0.0	-67.22	404.13	4.46	-62.76
CC[N@@H+](C)CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304233	1	52	0.0	-71.33	403.22	3.52	-67.81
CC(C[NH+](C)C)C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304260	0	55	0.0	-74.66	422.37	4.14	-70.52
C[C@H](C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025304264	0	52	0.0	-67.16	401.15	4.11	-63.05
CC[N@@H+]1CCC1C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304267	1	53	0.0	-71.96	417.11	3.84	-68.12
CC[N@H+]1CCC1C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304267	1	53	0.0	-65.84	409.69	4.30	-61.54
[N-]=[N+]=NCC(=O)N1CCCC12CCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025304317	0	43	0.0	-22.49	362.44	-1.64	-24.13
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304326	0	53	0.0	-68.30	407.21	3.78	-64.52
C[N@H+]1CCC[C@H]1C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304326	1	53	0.0	-73.17	404.44	3.54	-69.63
C[N@H+](CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025304356	0	53	0.0	-68.91	414.90	4.27	-64.64
C[N@@H+](CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025304356	1	53	0.0	-64.21	415.75	5.20	-59.01
C[NH+]1CC(CC(=O)N2CCCC23CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025304380	0	53	0.0	-67.71	417.88	4.56	-63.15
C[NH+](C)CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304383	0	49	0.0	-71.68	385.47	2.75	-68.93
C[C@@H](C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025304386	0	52	0.0	-64.10	402.92	4.14	-59.96
CC1CC[N@@H+]1CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304393	1	53	0.0	-70.14	416.82	3.94	-66.20
CC1CC[N@H+]1CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304393	1	53	0.0	-65.61	417.65	4.88	-60.73
C[NH+](C)CC=CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304394	0	53	0.0	-75.62	420.45	4.06	-71.56
CC[NH+](CC)CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025304400	0	55	0.0	-65.20	417.91	4.86	-60.34
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCCN2C(=O)C[NH+]2CCC2)C1	REAL300025304401	1	50	0.0	-71.86	395.77	3.24	-68.62
CC(C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025304419	1	53	0.0	-64.42	410.19	4.55	-59.87
NC(=[NH2+])SCC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025304450	0	47	0.0	-64.35	393.41	-0.12	-64.47
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025304482	0	53	0.0	-58.84	406.92	3.78	-55.06
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025304482	1	53	0.0	-51.90	402.31	4.27	-47.63
C[NH+](C)CC(=O)N1CCCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025304605	0	52	0.0	-75.58	416.74	3.64	-71.94
C[C@@H](C(=O)N1CCCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025304610	0	55	0.0	-73.33	433.02	4.01	-69.32
[N-]=[N+]=NCC(=O)N1CCCC(C2CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025304613	0	46	0.0	-25.20	393.71	-0.76	-25.96
C[C@@H](C(=O)N1CCCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025304623	0	55	0.0	-73.33	433.02	4.01	-69.32
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CCCN(C(=O)C[NH+]3CCC3)C2)C1	REAL300025304631	1	53	0.0	-75.38	426.69	4.08	-71.30
C[C@H](C(=O)N1CCCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025304636	0	55	0.0	-73.45	432.90	3.97	-69.48
CC[N@H+](C)CC(=O)N1CCCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025304648	0	55	0.0	-74.94	434.36	4.30	-70.64
CC[N@@H+](C)CC(=O)N1CCCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025304648	1	55	0.0	-74.97	434.39	4.30	-70.67
C[C@@H](C(=O)N1CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025304794	0	55	0.0	-67.87	433.99	4.07	-63.80
CC[N@H+](C)CC(=O)N1CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025304813	0	55	0.0	-73.19	434.47	4.38	-68.81
CC[N@@H+](C)CC(=O)N1CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025304813	1	55	0.0	-68.20	434.21	4.28	-63.92
C[C@H](C(=O)N1CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025304826	0	55	0.0	-66.85	434.68	4.08	-62.77
[N-]=[N+]=NCC(=O)N1CC(C2CCCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025304851	0	46	0.0	-24.17	393.28	-0.71	-24.88
C[NH+](C)CC(=O)N1CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025304882	0	52	0.0	-69.04	416.32	3.69	-65.35
C[C@@H](C(=O)N1CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025304885	0	55	0.0	-67.87	433.99	4.07	-63.80
O=C(C[NH+]1CCC1)N1CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025304892	1	53	0.0	-68.82	426.61	4.16	-64.66
C[N@@H+]1CCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305079	0	49	0.0	-72.06	393.82	1.55	-70.51
C[N@H+]1CCCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305079	1	49	0.0	-73.63	393.85	1.55	-72.08
CC1=[NH+]C=CN1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305208	1	47	0.0	-69.46	403.34	2.62	-66.84
CC1=C[NH+]=CN1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305274	1	47	0.0	-72.95	403.67	3.35	-69.60
CCC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025305283	0	51	0.0	-70.34	404.56	1.99	-68.35
CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305296	0	51	0.0	-73.44	413.14	2.41	-71.03
CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305296	1	51	0.0	-73.56	413.14	2.42	-71.14
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305307	0	49	0.0	-72.09	393.90	1.55	-70.54
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305307	1	49	0.0	-69.79	399.99	2.04	-67.75
CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305317	0	51	0.0	-71.96	405.50	2.08	-69.88
CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305413	0	51	0.0	-75.21	414.01	2.20	-73.01
CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305413	1	51	0.0	-75.26	414.01	2.20	-73.06
CC[C@@H](C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025305419	0	51	0.0	-70.39	404.60	2.00	-68.39
C[NH+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305448	0	45	0.0	-73.76	373.94	1.00	-72.76
CN1C=C[N+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025305449	0	47	0.0	-71.42	405.11	4.51	-66.91
CC(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025305457	1	49	0.0	-70.91	402.12	2.09	-68.82
C[N@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025305465	0	49	0.0	-70.30	403.18	2.41	-67.89
C[N@@H+](CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025305465	1	49	0.0	-71.14	403.34	2.41	-68.73
C[NH+]1CC(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025305474	0	49	0.0	-74.59	405.34	1.82	-72.77
C[C@@H](C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025305483	0	48	0.0	-72.30	392.02	1.40	-70.90
[N-]=[N+]=NCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025305489	0	39	0.0	-25.93	350.84	-3.41	-29.34
C[C@@H](C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025305514	0	48	0.0	-72.30	392.02	1.40	-70.90
O=C(C[NH+]1CCC1)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305540	1	46	0.0	-73.81	384.00	1.42	-72.39
C[N@@H+]1CCC(=CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025305547	0	50	0.0	-76.66	411.81	2.57	-74.09
C[N@H+]1CCC(=CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025305547	1	50	0.0	-76.68	411.81	2.58	-74.10
C[C@H](C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025305561	0	48	0.0	-71.48	392.08	1.43	-70.05
CC1C[NH+](CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025305573	1	49	0.0	-73.68	404.96	2.08	-71.60
C[N@H+](CCO)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305584	1	49	0.0	-74.42	401.99	-1.57	-75.99
C[N@@H+](CCO)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305584	1	49	0.0	-73.86	401.77	-1.58	-75.44
CC[N@H+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305596	0	48	0.0	-73.18	391.64	1.67	-71.51
CC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305596	1	48	0.0	-73.21	391.64	1.67	-71.54
C[NH+](C)CC=CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305620	0	49	0.0	-78.35	409.88	2.23	-76.12
CC[N@@H+]1CCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305633	1	49	0.0	-71.77	397.20	1.56	-70.21
CC[N@H+]1CCC1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305633	1	49	0.0	-72.85	405.58	2.01	-70.84
O=C(C[NH+]1CC2CC2C1)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305653	0	50	0.0	-73.86	409.51	2.88	-70.98
C[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305658	0	51	0.0	-78.88	401.14	2.17	-76.71
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025305693	0	49	0.0	-78.76	396.32	2.70	-76.06
C[N@@H+]1CC2CC1(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025305702	0	50	0.0	-77.99	405.99	2.20	-75.79
C[N@H+]1CC2CC1(C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025305702	1	50	0.0	-78.20	406.72	2.08	-76.12
CC(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305733	0	51	0.0	-74.94	412.33	2.27	-72.67
CC1CC[N@@H+]1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305749	1	49	0.0	-72.11	405.28	2.13	-69.98
CC1CC[N@H+]1CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305749	1	49	0.0	-72.58	405.21	2.08	-70.50
C[N@@H+]1CCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305914	0	49	0.0	-71.07	392.34	1.44	-69.63
C[N@H+]1CCCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025305914	1	49	0.0	-73.99	392.34	1.42	-72.57
CCC(C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025306058	0	51	0.0	-71.88	401.29	1.78	-70.10
CCC[N@H+](C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306067	0	51	0.0	-75.18	413.18	2.30	-72.88
CCC[N@@H+](C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306067	1	51	0.0	-75.24	413.14	2.31	-72.93
CC[N@H+](C)CCC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306099	0	51	0.0	-76.42	414.01	2.15	-74.27
CC[N@@H+](C)CCC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306099	1	51	0.0	-76.28	414.01	2.16	-74.12
CC[C@@H](C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025306176	0	51	0.0	-71.56	399.17	1.73	-69.83
CC1=[NH+]C=CN1CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306207	1	47	0.0	-69.69	403.35	2.49	-67.20
CC1=C[NH+]=CN1CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306223	1	47	0.0	-73.19	403.67	3.25	-69.94
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306258	0	49	0.0	-71.10	392.33	1.44	-69.66
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306258	1	49	0.0	-70.55	395.77	1.66	-68.89
C[C@@H](C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025306352	0	48	0.0	-72.89	389.87	1.24	-71.65
C[N@H+](CCO)CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306370	1	49	0.0	-76.09	401.99	-1.67	-77.76
C[N@@H+](CCO)CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306370	1	49	0.0	-75.00	401.78	-1.67	-76.67
CC1C[NH+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025306404	1	49	0.0	-75.24	405.20	1.97	-73.27
CC[N@H+](C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306432	0	48	0.0	-74.77	391.64	1.57	-73.20
CC[N@@H+](C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306432	1	48	0.0	-74.89	391.67	1.55	-73.34
C[N@@H+]1CC2CC1(C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025306483	0	50	0.0	-75.80	400.97	1.98	-73.82
C[N@H+]1CC2CC1(C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025306483	1	50	0.0	-75.98	400.40	1.96	-74.02
CC(C[NH+](C)C)C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306491	0	51	0.0	-68.58	410.21	2.00	-66.58
C[NH+](C)C1(C(=O)N2C[C@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025306496	0	49	0.0	-73.24	392.98	1.32	-71.92
C[C@H](C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025306505	0	48	0.0	-71.72	389.21	1.19	-70.53
CC[N@@H+]1CCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306508	1	49	0.0	-73.36	395.53	1.44	-71.92
CC[N@H+]1CCC1C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306508	1	49	0.0	-73.90	404.95	1.85	-72.05
NC1=CC=[NH+]C=C1C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306518	0	45	0.0	-75.43	384.79	-1.19	-76.62
C[NH+](C)C(C)(C)C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306523	0	51	0.0	-71.30	394.71	1.38	-69.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](F)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025306576	0	50	0.0	-75.21	408.46	2.72	-72.49
C[N@@H+]1CCC(=CC(=O)N2C[C@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025306598	0	50	0.0	-78.47	411.75	2.45	-76.02
C[N@H+]1CCC(=CC(=O)N2C[C@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025306598	1	50	0.0	-78.38	410.84	2.48	-75.90
[N-]=[N+]=NCC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300025306604	0	39	0.0	-25.97	350.88	-3.51	-29.48
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306619	0	49	0.0	-71.93	399.26	1.81	-70.12
C[N@H+]1CCC[C@H]1C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306619	1	49	0.0	-74.05	392.39	1.42	-72.63
CN1C=C[N+](CC(=O)N2C[C@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025306679	0	47	0.0	-70.87	405.15	4.40	-66.47
C[N@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025306687	0	49	0.0	-71.80	403.18	2.30	-69.50
C[N@@H+](CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025306687	1	49	0.0	-72.78	403.34	2.30	-70.48
C[NH+]1CC(CC(=O)N2C[C@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025306730	0	49	0.0	-76.16	405.19	1.75	-74.41
C[NH+](C)CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306735	0	45	0.0	-75.55	373.91	0.87	-74.68
C[C@@H](C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025306741	0	48	0.0	-72.89	389.87	1.24	-71.65
CC1CC[N@@H+]1CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306754	1	49	0.0	-72.42	399.61	1.70	-70.72
CC1CC[N@H+]1CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306754	1	49	0.0	-72.73	399.74	1.72	-71.01
C[NH+](C)CC=CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306755	0	49	0.0	-79.49	410.04	2.15	-77.34
CC[NH+](CC)CC(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306768	0	51	0.0	-73.35	405.50	1.95	-71.40
CC(C(=O)N1C[C@H](F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025306808	1	49	0.0	-71.92	403.01	1.83	-70.09
NC(=[NH2+])SCC(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306859	0	43	0.0	-76.42	381.83	-2.06	-78.48
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306906	0	49	0.0	-70.28	399.75	2.03	-68.25
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025306906	1	49	0.0	-73.70	393.94	1.55	-72.15
C[NH+](C)CC(=O)NCCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025307042	0	54	0.0	-73.98	428.94	2.95	-71.03
C[C@@H](C(=O)NCCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025307047	0	57	0.0	-72.52	446.98	3.34	-69.18
[N-]=[N+]=NCC(=O)NCCCC1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025307050	0	48	0.0	-24.88	405.90	-1.45	-26.33
C[C@@H](C(=O)NCCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025307060	0	57	0.0	-72.52	446.98	3.34	-69.18
O=C(C[NH+]1CCC1)NCCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025307068	1	55	0.0	-73.94	439.04	3.38	-70.56
C[C@H](C(=O)NCCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025307073	0	57	0.0	-72.39	447.08	3.36	-69.03
CC[N@H+](C)CC(=O)NCCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025307085	0	57	0.0	-73.27	446.67	3.62	-69.65
CC[N@@H+](C)CC(=O)NCCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025307085	1	57	0.0	-73.27	446.67	3.62	-69.65
C[C@@H](C(=O)N1CCC(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025307222	0	57	0.0	-71.76	445.63	3.26	-68.50
CC[N@H+](C)CC(=O)N1CCC(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025307241	0	57	0.0	-73.11	446.67	3.52	-69.59
CC[N@@H+](C)CC(=O)N1CCC(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025307241	1	57	0.0	-73.13	446.67	3.53	-69.60
C[C@H](C(=O)N1CCC(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025307254	0	57	0.0	-71.80	444.84	3.21	-68.59
[N-]=[N+]=NCC(=O)N1CCC(CCCNC(=O)CSC2=NC(=O)NN2)CC1	REAL300025307278	0	48	0.0	-25.14	405.91	-1.56	-26.70
C[NH+](C)CC(=O)N1CCC(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025307305	0	54	0.0	-74.05	428.95	2.85	-71.20
C[C@@H](C(=O)N1CCC(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025307308	0	57	0.0	-71.76	445.63	3.26	-68.50
O=C(CSC1=NNC(=O)[N-]1)NCCCC1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025307315	1	55	0.0	-73.77	438.97	3.26	-70.51
C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307541	0	52	0.0	-70.07	411.71	3.12	-66.95
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307541	1	52	0.0	-72.13	404.20	2.25	-69.88
C[N@@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025307565	1	53	0.0	-80.15	422.55	2.38	-77.77
C[N@H+]1CCOC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025307565	1	53	0.0	-74.11	415.32	2.09	-72.02
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307701	1	50	0.0	-68.35	412.93	3.38	-64.97
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC[N@@H+]1C	REAL300025307717	0	55	0.0	-73.53	419.88	2.77	-70.76
C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC[N@H+]1C	REAL300025307717	1	55	0.0	-72.28	426.23	3.00	-69.28
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CCC1	REAL300025307740	0	55	0.0	-71.11	430.43	3.69	-67.42
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CCC1	REAL300025307740	1	55	0.0	-71.43	430.33	3.70	-67.73
C[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC1	REAL300025307763	0	55	0.0	-75.73	428.80	3.36	-72.37
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307778	1	50	0.0	-70.79	413.23	4.11	-66.68
C[N@@H+]1CCC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025307785	0	55	0.0	-73.73	431.08	3.24	-70.49
C[N@H+]1CCC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025307785	1	55	0.0	-72.96	430.84	3.43	-69.53
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025307788	0	54	0.0	-69.88	418.34	2.97	-66.91
C[NH+](C)CCCCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307799	0	57	0.0	-74.10	449.28	4.00	-70.10
CCC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307802	0	57	0.0	-73.08	446.23	3.75	-69.33
CCC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307802	1	57	0.0	-74.63	445.50	3.81	-70.82
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307803	0	54	0.0	-73.32	423.44	3.13	-70.19
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307803	1	54	0.0	-71.95	423.76	3.21	-68.74
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307815	0	52	0.0	-73.15	405.73	2.61	-70.54
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307815	1	52	0.0	-68.93	410.43	3.00	-65.93
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307823	0	54	0.0	-70.11	416.22	2.87	-67.24
C[NH+](C)CC1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC1	REAL300025307868	0	55	0.0	-74.61	433.89	3.87	-70.74
C[NH+]1CCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC1	REAL300025307882	0	55	0.0	-75.73	428.80	3.36	-72.37
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307907	0	54	0.0	-73.92	424.50	2.89	-71.03
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307907	1	54	0.0	-73.87	424.01	3.07	-70.80
CC1CCC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307915	0	55	0.0	-70.51	431.01	3.82	-66.69
CC1CCC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307915	1	55	0.0	-69.18	429.89	3.62	-65.56
CC1CC[N@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025307916	0	55	0.0	-70.82	430.77	3.45	-67.37
CC1CC[N@@H+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025307916	1	55	0.0	-71.03	430.41	3.49	-67.54
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025307918	0	54	0.0	-68.89	414.71	2.83	-66.06
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025307946	0	48	0.0	-72.31	384.63	1.79	-70.52
CN1C=C[N+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)=C1	REAL300025307947	0	50	0.0	-69.23	415.76	5.31	-63.92
C[N@@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025307950	0	55	0.0	-72.44	428.97	3.48	-68.96
C[N@H+]1CCCC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025307950	1	55	0.0	-72.69	428.88	3.31	-69.38
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+]1CCC1	REAL300025307956	1	52	0.0	-69.07	412.84	2.87	-66.20
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CC1	REAL300025307965	0	52	0.0	-70.34	413.67	3.08	-67.26
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CC1	REAL300025307965	1	52	0.0	-69.60	414.04	3.20	-66.40
C[NH+]1CC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025307974	0	52	0.0	-72.04	415.87	2.65	-69.39
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025307986	0	51	0.0	-69.95	402.63	2.20	-67.75
CC1(C)C(NC(=O)CN=[N+]=[N-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300025307993	0	42	0.0	-22.03	361.60	-2.61	-24.64
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025308019	0	51	0.0	-69.95	402.63	2.20	-67.75
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308022	0	55	0.0	-69.26	417.49	3.22	-66.04
C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308022	1	55	0.0	-69.39	426.22	3.28	-66.11
C[N@@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025308053	0	53	0.0	-73.80	423.39	3.36	-70.44
C[N@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025308053	1	53	0.0	-73.81	423.35	3.37	-70.44
C[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025308068	0	51	0.0	-72.04	403.98	2.56	-69.48
CC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025308083	1	52	0.0	-71.71	415.60	2.87	-68.84
C[N@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308095	1	52	0.0	-72.19	412.61	-0.76	-72.95
C[N@@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308095	1	52	0.0	-73.44	412.07	-0.86	-74.30
CC(CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C[NH+](C)C	REAL300025308105	0	57	0.0	-72.38	441.61	3.82	-68.56
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308107	0	51	0.0	-71.53	402.26	2.47	-69.06
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308107	1	51	0.0	-71.66	402.15	2.50	-69.16
CC[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CC1	REAL300025308116	0	55	0.0	-69.80	432.51	3.89	-65.91
CC[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CC1	REAL300025308116	1	55	0.0	-68.18	429.52	3.55	-64.63
CC[NH+](CC)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308121	0	57	0.0	-72.82	441.84	3.76	-69.06
C[NH+](C)CC=CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308134	0	52	0.0	-74.11	420.60	3.00	-71.11
CC(CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025308147	0	57	0.0	-72.14	443.09	3.85	-68.29
CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308151	1	52	0.0	-69.39	409.33	2.53	-66.86
CC[N@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308151	1	52	0.0	-72.03	416.03	2.83	-69.20
C=CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025308169	0	55	0.0	-68.59	428.53	3.27	-65.32
CC1(C)C(NC(=O)C[NH+]2CC3CC3C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025308176	0	53	0.0	-73.22	419.65	3.55	-69.67
CCCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025308180	0	57	0.0	-70.15	436.95	3.56	-66.59
C[N@@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308190	0	55	0.0	-68.66	426.39	3.42	-65.24
C[N@H+]1CCCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308190	1	55	0.0	-69.37	417.82	3.23	-66.14
CC1(C)C(NC(=O)CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025308222	0	55	0.0	-71.88	432.96	3.52	-68.36
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308256	0	54	0.0	-73.39	422.81	2.95	-70.44
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+]1CC(C)C1	REAL300025308275	1	55	0.0	-70.22	431.86	3.60	-66.62
CC1CC[N@@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308276	1	52	0.0	-70.88	410.02	2.53	-68.35
CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308276	1	52	0.0	-70.50	415.96	2.88	-67.62
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025308303	0	55	0.0	-71.34	434.67	3.52	-67.82
CC(CC[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308304	0	57	0.0	-73.20	444.44	3.56	-69.64
C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308469	0	52	0.0	-68.91	402.90	2.14	-66.77
C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308469	1	52	0.0	-67.52	408.62	2.64	-64.88
C[N@@H+]1CCC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025308643	0	55	0.0	-72.65	431.26	3.23	-69.42
C[N@H+]1CCC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025308643	1	55	0.0	-72.41	430.44	3.26	-69.15
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025308646	0	54	0.0	-67.67	412.91	2.54	-65.13
C[NH+](C)CCCCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308655	0	57	0.0	-73.15	449.66	3.80	-69.35
CCC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308658	0	57	0.0	-76.89	445.50	3.79	-73.10
CCC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308658	1	57	0.0	-72.86	446.03	3.77	-69.09
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308659	0	54	0.0	-74.09	423.13	3.21	-70.88
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308659	1	54	0.0	-70.73	423.67	3.18	-67.55
C[NH+](C)CC1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC1	REAL300025308689	0	55	0.0	-71.26	432.15	3.36	-67.90
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308694	0	54	0.0	-72.46	424.50	2.85	-69.61
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308694	1	54	0.0	-76.08	424.00	3.05	-73.03
C[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC1	REAL300025308709	0	55	0.0	-74.02	429.19	3.32	-70.70
CC1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308747	0	55	0.0	-67.85	429.56	3.41	-64.44
CC1CCC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308747	1	55	0.0	-67.17	423.11	3.13	-64.04
CC1CC[N@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025308762	0	55	0.0	-69.61	430.52	3.27	-66.34
CC1CC[N@@H+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025308762	1	55	0.0	-69.37	430.28	3.41	-65.96
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025308764	0	54	0.0	-68.67	414.41	2.75	-65.92
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308798	1	50	0.0	-70.12	413.34	3.42	-66.70
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308813	1	50	0.0	-69.39	413.15	4.07	-65.32
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC[N@@H+]1C	REAL300025308814	0	55	0.0	-72.37	421.31	2.89	-69.48
C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC[N@H+]1C	REAL300025308814	1	55	0.0	-74.77	424.46	3.41	-71.36
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CCC1	REAL300025308837	0	55	0.0	-68.61	430.50	3.59	-65.02
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CCC1	REAL300025308837	1	55	0.0	-68.84	430.64	3.61	-65.23
C[NH+]1CCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC1	REAL300025308843	0	55	0.0	-74.02	429.19	3.32	-70.70
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308853	0	52	0.0	-69.16	403.15	2.25	-66.91
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308853	1	52	0.0	-68.11	409.77	2.49	-65.62
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC[N@@H+]1C	REAL300025308913	0	55	0.0	-74.23	419.78	2.64	-71.59
CC1C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC[N@H+]1C	REAL300025308913	1	55	0.0	-70.47	425.22	3.30	-67.17
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025308947	0	51	0.0	-68.62	400.41	2.07	-66.55
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCC1	REAL300025308965	0	55	0.0	-76.04	430.62	3.44	-72.60
C[N@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308970	1	52	0.0	-70.99	412.52	-0.81	-71.80
C[N@@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025308970	1	52	0.0	-74.47	411.61	-0.70	-75.17
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025309009	1	52	0.0	-71.22	414.38	2.78	-68.44
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309034	0	51	0.0	-70.59	402.13	2.29	-68.30
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309034	1	51	0.0	-70.32	402.16	2.45	-67.87
CC(CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025309079	0	57	0.0	-73.98	437.64	3.39	-70.59
CC[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CC1	REAL300025309083	0	55	0.0	-67.06	433.00	3.65	-63.41
CC[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CC1	REAL300025309083	1	55	0.0	-72.59	425.18	3.70	-68.89
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309102	0	54	0.0	-67.01	417.72	2.71	-64.30
C[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025309114	0	51	0.0	-72.16	400.86	2.15	-70.01
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309117	0	52	0.0	-70.24	414.95	2.55	-67.69
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309117	1	52	0.0	-73.01	417.54	3.07	-69.94
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[NH+]=CC=C1N	REAL300025309127	0	48	0.0	-70.56	392.04	-0.33	-70.89
CCCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025309131	0	57	0.0	-68.86	434.91	3.36	-65.50
CC(CC[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309141	0	57	0.0	-72.10	441.75	3.33	-68.77
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300025309197	0	53	0.0	-74.28	418.39	3.64	-70.64
C[N@@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309204	0	55	0.0	-66.59	425.46	3.23	-63.36
C[N@H+]1CCCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309204	1	55	0.0	-68.28	413.25	2.86	-65.42
C[N@@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025309223	0	53	0.0	-73.49	422.77	3.28	-70.21
C[N@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025309223	1	53	0.0	-73.41	422.43	3.31	-70.10
CC1(C)C(NC(=O)CSC2=NC(=O)NN2)CCN1C(=O)CN=[N+]=[N-]	REAL300025309228	0	42	0.0	-22.93	361.26	-2.77	-25.70
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309241	0	52	0.0	-67.34	405.59	2.61	-64.73
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309241	1	52	0.0	-68.79	403.06	2.28	-66.51
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025309277	0	55	0.0	-71.55	433.28	3.38	-68.17
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCCCC1	REAL300025309311	0	55	0.0	-70.30	426.12	3.49	-66.81
C[N@@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025309312	0	55	0.0	-72.22	429.05	3.15	-69.07
C[N@H+]1CCCC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025309312	1	55	0.0	-64.65	418.67	3.25	-61.40
CN1C=C[N+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)=C1	REAL300025309313	0	50	0.0	-68.20	415.67	5.29	-62.91
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CC1	REAL300025309322	0	52	0.0	-67.83	413.66	3.03	-64.80
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CC1	REAL300025309322	1	52	0.0	-67.60	413.71	3.18	-64.42
CC(CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C[NH+](C)C	REAL300025309330	0	57	0.0	-72.62	441.58	3.66	-68.96
C[NH+]1CC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025309370	0	52	0.0	-71.74	415.84	2.47	-69.27
C[NH+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309377	0	48	0.0	-71.49	384.29	1.62	-69.87
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025309385	0	51	0.0	-68.62	400.41	2.07	-66.55
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+]1CC(C)C1	REAL300025309395	0	55	0.0	-67.93	433.17	3.25	-64.68
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309396	0	52	0.0	-68.16	410.33	2.56	-65.60
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309396	1	52	0.0	-72.81	415.21	2.88	-69.93
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309397	0	52	0.0	-75.25	420.59	2.87	-72.38
CC1(C)C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025309400	1	55	0.0	-70.61	434.84	3.34	-67.27
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309413	0	54	0.0	-69.11	415.88	2.70	-66.41
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC1	REAL300025309418	1	49	0.0	-70.51	394.62	2.17	-68.34
CC[NH+](CC)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309432	0	57	0.0	-71.47	442.24	3.58	-67.89
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+]1CCC1	REAL300025309453	0	52	0.0	-68.50	412.16	2.65	-65.85
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309471	0	55	0.0	-72.13	412.39	2.88	-69.25
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309471	1	55	0.0	-67.45	424.73	3.22	-64.23
C=CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025309487	0	55	0.0	-67.83	426.25	3.09	-64.74
CC1(C)C(NC(=O)CSC(N)=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025309507	0	46	0.0	-72.29	392.95	-1.30	-73.59
C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309557	0	52	0.0	-68.46	409.62	2.89	-65.57
C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025309557	1	52	0.0	-70.72	404.46	2.36	-68.36
CC1(C)C(NC(=O)C[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025309564	0	55	0.0	-71.30	426.75	3.67	-67.63
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC[N@@H+]1C	REAL300025309567	0	55	0.0	-69.81	430.49	3.38	-66.43
CC1C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC[N@H+]1C	REAL300025309567	1	55	0.0	-73.38	421.64	2.79	-70.59
C[NH+](C)CC(=O)NCCC1CSCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025309674	0	49	0.0	-64.28	401.54	1.96	-62.32
[N-]=[N+]=NCC(=O)NCCC1CSCCN1C(=O)CSC1=NC(=O)NN1	REAL300025309679	0	43	0.0	-22.95	378.50	-2.44	-25.39
[N-]=[N+]=NCC(=O)N1CCSCC1CCNC(=O)CSC1=NC(=O)NN1	REAL300025309818	0	43	0.0	-22.55	378.50	-2.54	-25.09
C[NH+](C)CC(=O)N1CCSCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025309833	0	49	0.0	-77.47	401.33	1.86	-75.61
C[C@@H]1[C@H](NC(=O)C2CCC[N@@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310011	0	52	0.0	-59.42	404.46	3.42	-56.00
C[C@@H]1[C@H](NC(=O)C2CCC[N@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310011	1	52	0.0	-61.10	398.34	2.91	-58.19
C[C@@H]1[C@H](NC(=O)C2C[N@H+](C)CCO2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310035	1	53	0.0	-62.25	408.55	2.65	-59.60
C[C@@H]1[C@H](NC(=O)C2C[N@@H+](C)CCO2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310035	1	53	0.0	-66.16	415.62	2.81	-63.35
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310174	1	50	0.0	-59.80	407.67	3.98	-55.82
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)CC[N@@H+]1C	REAL300025310192	0	55	0.0	-63.26	414.20	3.39	-59.87
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)CC[N@H+]1C	REAL300025310192	1	55	0.0	-62.41	421.00	3.65	-58.76
C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310212	0	55	0.0	-59.39	406.50	3.80	-55.59
CC(C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025310214	0	57	0.0	-58.96	423.02	3.80	-55.16
C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310223	0	55	0.0	-59.83	424.50	4.35	-55.48
C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310223	1	55	0.0	-60.11	424.27	4.37	-55.74
C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310247	0	55	0.0	-64.66	422.85	4.02	-60.64
C[C@@H]1[C@H](NC(=O)C2CCCC[N@@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310253	0	55	0.0	-59.37	420.32	3.95	-55.42
C[C@@H]1[C@H](NC(=O)C2CCCC[N@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310253	1	55	0.0	-60.31	410.79	3.82	-56.49
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310270	1	50	0.0	-61.87	407.95	4.73	-57.14
C[C@@H]1[C@H](NC(=O)CC2CC[N@H+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310280	0	55	0.0	-64.73	424.84	3.97	-60.76
C[C@@H]1[C@H](NC(=O)CC2CC[N@@H+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310280	1	55	0.0	-64.58	424.72	3.97	-60.61
CCC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025310283	0	54	0.0	-59.73	408.88	3.38	-56.35
C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310297	0	57	0.0	-65.78	443.54	4.53	-61.25
CC(C)C(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025310300	0	57	0.0	-60.68	423.05	4.45	-56.23
CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310301	0	57	0.0	-63.53	439.76	4.31	-59.22
CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310301	1	57	0.0	-63.58	439.76	4.31	-59.27
CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310302	0	54	0.0	-61.86	417.40	3.79	-58.07
CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310302	1	54	0.0	-61.64	417.49	3.77	-57.87
C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310317	0	52	0.0	-59.47	403.27	3.45	-56.02
C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310317	1	52	0.0	-61.14	398.30	2.90	-58.24
CC[NH+](CC)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310329	0	54	0.0	-60.08	409.71	3.47	-56.61
C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310383	0	55	0.0	-62.66	430.24	4.14	-58.52
C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310405	0	55	0.0	-64.66	422.85	4.02	-60.64
CC(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025310420	0	57	0.0	-60.72	424.18	4.34	-56.38
CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310447	0	54	0.0	-62.97	418.26	3.57	-59.40
CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310447	1	54	0.0	-63.00	418.26	3.57	-59.43
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310457	0	55	0.0	-58.76	423.21	4.05	-54.71
CC1CCC[N@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310457	1	55	0.0	-58.53	417.03	3.77	-54.76
CC1CC[N@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025310458	0	55	0.0	-60.67	423.70	4.06	-56.61
CC1CC[N@@H+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025310458	1	55	0.0	-60.71	423.51	4.07	-56.64
CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025310460	0	54	0.0	-59.71	408.62	3.41	-56.30
C[C@@H]1[C@H](NC(=O)C[NH+](C)C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310496	0	48	0.0	-62.49	378.19	2.39	-60.10
C[C@@H]1[C@H](NC(=O)C[N+]2=CN(C)C=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310497	0	50	0.0	-60.47	409.53	5.89	-54.58
C[C@@H]1[C@H](NC(=O)C2CCC[N@H+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310500	0	55	0.0	-62.91	422.87	3.97	-58.94
C[C@@H]1[C@H](NC(=O)C2CCC[N@@H+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310500	1	55	0.0	-59.34	416.63	4.19	-55.15
CC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+]1CCC1	REAL300025310507	1	52	0.0	-59.42	406.35	3.43	-55.99
C[C@@H]1[C@H](NC(=O)C(C)(C)C[NH+](C)C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310510	0	57	0.0	-62.54	428.82	4.13	-58.41
C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310517	0	52	0.0	-59.61	407.56	3.81	-55.80
C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310517	1	52	0.0	-59.45	407.40	3.80	-55.65
C[C@@H]1[C@H](NC(=O)CC2C[NH+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310528	0	52	0.0	-63.62	409.59	3.18	-60.44
C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025310540	0	51	0.0	-60.21	396.30	2.81	-57.40
C[C@@H]1[C@H](NC(=O)CN=[N+]=[N-])CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025310547	0	42	0.0	-20.80	355.15	-2.01	-22.81
C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025310578	0	51	0.0	-60.21	396.30	2.81	-57.40
C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310581	0	55	0.0	-59.29	419.91	3.98	-55.31
C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310581	1	55	0.0	-60.11	410.87	3.78	-56.33
C[C@@H]1[C@H](NC(=O)C=C2CC[N@H+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310617	0	53	0.0	-67.17	416.17	3.95	-63.22
C[C@@H]1[C@H](NC(=O)C=C2CC[N@@H+](C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310617	1	53	0.0	-67.20	416.05	3.93	-63.27
C[C@H](C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025310635	0	51	0.0	-60.89	396.28	2.81	-58.08
CC1C[NH+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025310651	1	52	0.0	-61.68	408.22	3.56	-58.12
C[C@@H]1[C@H](NC(=O)C[N@H+](C)CCO)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310664	1	52	0.0	-62.12	406.26	-0.19	-62.31
C[C@@H]1[C@H](NC(=O)C[N@@H+](C)CCO)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310664	1	52	0.0	-61.87	406.00	-0.18	-62.05
CC(CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)C[NH+](C)C	REAL300025310676	0	57	0.0	-64.62	435.47	4.37	-60.25
CC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310678	0	51	0.0	-61.53	395.90	3.05	-58.48
CC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310678	1	51	0.0	-61.42	395.90	3.06	-58.36
CC[N@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)C1CC1	REAL300025310688	0	55	0.0	-58.39	426.89	4.41	-53.98
CC[N@@H+](CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)C1CC1	REAL300025310688	1	55	0.0	-58.98	424.26	4.37	-54.61
CC[NH+](CC)CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310694	0	57	0.0	-62.19	435.66	4.28	-57.91
C[C@@H]1[C@H](NC(=O)C=CC[NH+](C)C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310709	0	52	0.0	-66.32	415.40	3.62	-62.70
CC(CCC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025310726	0	57	0.0	-64.14	431.68	4.06	-60.08
CC[N@@H+]1CCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310730	1	52	0.0	-59.89	402.96	3.12	-56.77
CC[N@H+]1CCC1C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310730	1	52	0.0	-60.30	409.77	3.42	-56.88
C=CCC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025310751	0	55	0.0	-58.59	421.52	3.88	-54.71
C[C@@H]1[C@H](NC(=O)C[NH+]2CC3CC3C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310759	0	53	0.0	-60.98	413.50	4.24	-56.74
CCCC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025310764	0	57	0.0	-60.20	432.67	4.30	-55.90
C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310766	0	54	0.0	-59.97	401.58	3.38	-56.59
C[C@@H]1[C@H](NC(=O)C2CCCC[N@@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310776	0	55	0.0	-59.37	420.32	3.95	-55.42
C[C@@H]1[C@H](NC(=O)C2CCCC[N@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310776	1	55	0.0	-60.31	410.79	3.82	-56.49
C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310812	0	52	0.0	-59.51	402.17	3.31	-56.20
C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310813	0	55	0.0	-62.72	425.49	4.04	-58.68
C[C@@H]1[C@H](NC(=O)C23CC(C2)C[N@@H+]3C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310823	0	53	0.0	-58.33	409.12	3.48	-54.85
C[C@@H]1[C@H](NC(=O)C23CC(C2)C[N@H+]3C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310823	1	53	0.0	-59.85	408.97	3.50	-56.35
CC(C[NH+](C)C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310858	0	54	0.0	-63.48	416.54	3.65	-59.83
CC(C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+]1CC(C)C1	REAL300025310878	1	55	0.0	-59.26	426.15	4.09	-55.17
CC1CC[N@@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310879	1	52	0.0	-60.29	409.56	3.48	-56.81
CC1CC[N@H+]1CC(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310879	1	52	0.0	-60.37	409.46	3.46	-56.91
C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310910	0	55	0.0	-64.43	427.68	4.12	-60.31
CC(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025310911	0	57	0.0	-64.91	438.20	4.23	-60.68
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CCC[N@@H+]1C	REAL300025311080	0	52	0.0	-70.82	396.66	2.83	-67.99
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CCC[N@H+]1C	REAL300025311080	1	52	0.0	-67.34	395.27	2.83	-64.51
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CC1CC[N@H+](C)C1	REAL300025311254	0	55	0.0	-71.32	425.28	3.93	-67.39
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CC1CC[N@@H+](C)C1	REAL300025311254	1	55	0.0	-72.92	424.54	3.92	-69.00
CCC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025311257	0	54	0.0	-67.68	402.95	3.11	-64.57
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CCCC[NH+](C)C	REAL300025311266	0	57	0.0	-71.23	443.66	4.47	-66.76
CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311269	0	57	0.0	-73.35	439.74	4.30	-69.05
CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311269	1	57	0.0	-72.67	439.76	4.26	-68.41
CCC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311270	0	54	0.0	-71.15	417.39	3.66	-67.49
CCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311270	1	54	0.0	-71.35	417.50	3.66	-67.69
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1(C[NH+](C)C)CC1	REAL300025311300	0	55	0.0	-74.10	426.15	3.87	-70.23
CC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311305	0	54	0.0	-72.62	418.24	3.57	-69.05
CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311305	1	54	0.0	-71.93	418.26	3.52	-68.41
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CC[NH+](C)CC1	REAL300025311320	0	55	0.0	-73.63	418.87	3.74	-69.89
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311358	0	55	0.0	-68.26	423.45	4.02	-64.24
CC1CCC[N@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311358	1	55	0.0	-67.61	416.94	3.63	-63.98
CC1CC[N@H+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)C1	REAL300025311373	0	55	0.0	-70.66	423.67	3.93	-66.73
CC1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)C1	REAL300025311373	1	55	0.0	-70.67	423.59	4.00	-66.67
CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025311375	0	54	0.0	-69.53	408.97	3.35	-66.18
CC1=[NH+]C=CN1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311409	1	50	0.0	-65.84	407.56	3.85	-61.99
CC1=C[NH+]=CN1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311424	1	50	0.0	-70.26	407.90	4.62	-65.64
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)CC[N@@H+]1C	REAL300025311425	0	55	0.0	-73.87	413.32	3.76	-70.11
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)CC[N@H+]1C	REAL300025311425	1	55	0.0	-71.97	418.82	3.68	-68.29
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N@H+](C)C1CCC1	REAL300025311448	0	55	0.0	-69.61	424.53	4.28	-65.33
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N@@H+](C)C1CCC1	REAL300025311448	1	55	0.0	-68.60	424.48	4.25	-64.35
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CC[NH+](C)CC1	REAL300025311454	0	55	0.0	-73.63	418.87	3.74	-69.89
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300025311464	0	52	0.0	-67.61	401.45	3.18	-64.43
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300025311464	1	52	0.0	-68.69	395.14	2.85	-65.84
CC1C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)CC[N@@H+]1C	REAL300025311524	0	55	0.0	-69.67	412.85	3.76	-65.91
CC1C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)CC[N@H+]1C	REAL300025311524	1	55	0.0	-68.36	415.34	3.35	-65.01
C[C@@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025311558	0	51	0.0	-69.79	393.85	2.63	-67.16
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CC[NH+]1CCCC1	REAL300025311576	0	55	0.0	-71.60	425.59	3.97	-67.63
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N@H+](C)CCO	REAL300025311581	1	52	0.0	-72.10	406.35	-0.31	-72.41
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N@@H+](C)CCO	REAL300025311581	1	52	0.0	-70.77	406.33	-0.29	-71.06
CC1C[NH+](CC(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)C1	REAL300025311620	1	52	0.0	-71.12	409.60	3.37	-67.75
CC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311645	0	51	0.0	-70.74	395.89	2.93	-67.81
CC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311645	1	51	0.0	-70.88	396.00	2.92	-67.96
CC(CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025311690	0	57	0.0	-70.08	435.58	4.11	-65.97
CC[N@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)C1CC1	REAL300025311694	0	55	0.0	-67.23	426.92	4.27	-62.96
CC[N@@H+](CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)C1CC1	REAL300025311694	1	55	0.0	-68.10	424.20	4.29	-63.81
CC(C[NH+](C)C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311713	0	54	0.0	-72.36	413.11	3.33	-69.03
C[C@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025311725	0	51	0.0	-68.47	393.84	2.65	-65.82
CC[N@@H+]1CCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311728	1	52	0.0	-70.17	399.85	2.87	-67.30
CC[N@H+]1CCC1C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311728	1	52	0.0	-68.90	401.42	2.96	-65.94
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=C[NH+]=CC=C1N	REAL300025311738	0	48	0.0	-72.21	388.98	0.21	-72.00
CCCC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025311742	0	57	0.0	-67.21	427.43	3.96	-63.25
CC(CC[NH+](C)C)C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025311752	0	57	0.0	-71.47	434.72	3.98	-67.49
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300025311808	0	53	0.0	-71.72	413.60	4.16	-67.56
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CCCC[N@@H+]1C	REAL300025311815	0	55	0.0	-66.10	418.67	3.88	-62.22
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CCCC[N@H+]1C	REAL300025311815	1	55	0.0	-68.49	417.86	3.83	-64.66
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C=C1CC[N@H+](C)C1	REAL300025311834	0	53	0.0	-71.49	415.98	3.82	-67.67
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300025311834	1	53	0.0	-72.45	415.14	3.88	-68.57
C[C@@H]1[C@H](NC(=O)CSC2=NC(=O)NN2)CCCN1C(=O)CN=[N+]=[N-]	REAL300025311839	0	42	0.0	-21.87	355.10	-2.10	-23.97
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025311852	0	52	0.0	-71.24	397.12	2.78	-68.46
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300025311852	1	52	0.0	-67.89	400.76	3.08	-64.81
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025311888	0	55	0.0	-67.89	427.57	4.02	-63.87
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CCCCC1	REAL300025311922	0	55	0.0	-71.35	419.92	4.15	-67.20
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CCC[N@H+](C)C1	REAL300025311923	0	55	0.0	-65.14	413.14	3.90	-61.24
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1CCC[N@@H+](C)C1	REAL300025311923	1	55	0.0	-70.12	419.84	3.67	-66.45
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N+]1=CN(C)C=C1	REAL300025311924	0	50	0.0	-68.73	409.37	5.79	-62.94
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N@H+](C)C1CC1	REAL300025311933	0	52	0.0	-68.93	407.70	3.69	-65.24
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[N@@H+](C)C1CC1	REAL300025311933	1	52	0.0	-68.27	407.40	3.70	-64.57
CC(CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)C[NH+](C)C	REAL300025311941	0	57	0.0	-71.85	435.33	4.35	-67.50
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CC1C[NH+](C)C1	REAL300025311981	0	52	0.0	-71.94	409.58	3.17	-68.77
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+](C)C	REAL300025311988	0	48	0.0	-71.85	378.14	2.29	-69.56
C[C@@H](C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025311996	0	51	0.0	-69.79	393.85	2.63	-67.16
CC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+]1CC(C)C1	REAL300025312006	0	55	0.0	-68.77	421.68	3.71	-65.06
CC1CC[N@@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025312007	1	52	0.0	-68.97	403.86	3.10	-65.87
CC1CC[N@H+]1CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025312007	1	52	0.0	-68.78	403.93	3.07	-65.71
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C=CC[NH+](C)C	REAL300025312008	0	52	0.0	-74.78	412.92	3.49	-71.29
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300025312011	1	55	0.0	-71.88	428.72	3.90	-67.98
CC[NH+](CC)CC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025312024	0	54	0.0	-70.03	409.67	3.38	-66.65
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CCC1	REAL300025312029	1	49	0.0	-70.92	388.39	2.68	-68.24
CC[NH+](CC)CCC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025312043	0	57	0.0	-71.84	431.88	4.00	-67.84
CC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+]1CCC1	REAL300025312064	1	52	0.0	-68.27	391.90	2.73	-65.54
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025312082	0	55	0.0	-66.14	418.61	3.88	-62.26
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300025312082	1	55	0.0	-67.35	407.65	3.29	-64.06
C=CCC(C(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025312098	0	55	0.0	-67.91	421.08	3.79	-64.12
C[C@@H]1[C@H](NC(=O)CSC(N)=[NH2+])CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025312118	0	46	0.0	-62.10	386.18	-0.70	-62.80
CCC1C[NH+](CC(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025312173	1	55	0.0	-62.49	430.46	4.23	-58.26
C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025312177	0	52	0.0	-60.07	398.19	2.93	-57.14
C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025312177	1	52	0.0	-59.51	404.15	3.42	-56.09
C[C@@H]1[C@H](NC(=O)C[NH+]2CCCCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025312184	0	55	0.0	-60.79	419.88	4.26	-56.53
CC1C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)CC[N@@H+]1C	REAL300025312188	0	55	0.0	-61.79	424.31	3.93	-57.86
CC1C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)CC[N@H+]1C	REAL300025312188	1	55	0.0	-61.06	424.02	3.95	-57.11
C[NH+](C)CC(=O)NC1(C2=CC=CC=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025312279	0	49	0.0	-71.22	408.31	2.74	-68.48
[N-]=[N+]=NCC(=O)NC1(C2=CC=CC=C2)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025312284	0	43	0.0	-25.71	385.28	-1.66	-27.37
[N-]=[N+]=NCC(=O)N1CC(NC(=O)CSC2=NC(=O)NN2)(C2=CC=CC=C2)C1	REAL300025312382	0	43	0.0	-27.05	385.28	-1.67	-28.72
C[NH+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)(C2=CC=CC=C2)C1	REAL300025312395	0	49	0.0	-76.50	408.32	2.73	-73.77
CC1C2CCC(CC1NC(=O)C[NH+](C)C)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025312510	0	52	0.0	-71.32	406.76	2.55	-68.77
C[C@@H](C(=O)NC1CC2CCC(C1C)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025312515	0	55	0.0	-70.30	419.51	3.32	-66.98
CC1C2CCC(CC1NC(=O)CN=[N+]=[N-])N2C(=O)CSC1=NC(=O)NN1	REAL300025312518	0	46	0.0	-24.01	373.91	-0.24	-24.25
C[C@@H](C(=O)NC1CC2CCC(C1C)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025312528	0	55	0.0	-70.30	419.51	3.32	-66.98
C[C@H](C(=O)NC1CC2CCC(C1C)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025312541	0	55	0.0	-68.42	424.90	2.97	-65.45
CC[N@H+](C)CC(=O)NC1CC2CCC(C1C)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025312553	0	55	0.0	-77.34	414.69	4.82	-72.52
CC[N@@H+](C)CC(=O)NC1CC2CCC(C1C)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025312553	1	55	0.0	-70.50	424.83	3.18	-67.32
C[C@@H](C(=O)N1C2CCC1C(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025312699	0	55	0.0	-71.88	411.35	4.40	-67.48
CC[N@H+](C)CC(=O)N1C2CCC1C(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025312718	0	55	0.0	-73.95	413.45	4.86	-69.09
CC[N@@H+](C)CC(=O)N1C2CCC1C(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025312718	1	55	0.0	-69.41	424.48	3.15	-66.26
C[C@H](C(=O)N1C2CCC1C(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025312731	0	55	0.0	-68.10	421.89	2.77	-65.33
CC1C2CCC(CC1NC(=O)CSC1=NC(=O)NN1)N2C(=O)CN=[N+]=[N-]	REAL300025312756	0	46	0.0	-22.66	383.64	-1.90	-24.56
CC1C2CCC(CC1NC(=O)CSC1=NNC(=O)[N-]1)N2C(=O)C[NH+](C)C	REAL300025312787	0	52	0.0	-74.28	397.03	4.10	-70.18
C[C@@H](C(=O)N1C2CCC1C(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025312790	0	55	0.0	-71.88	411.35	4.40	-67.48
CC1C2CCC(CC1NC(=O)CSC1=NNC(=O)[N-]1)N2C(=O)C[NH+]1CCC1	REAL300025312797	1	53	0.0	-69.61	411.31	3.32	-66.29
C[N@@H+]1CCCC1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025312935	0	55	0.0	-60.79	416.61	3.51	-57.28
C[N@H+]1CCCC1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025312935	1	55	0.0	-65.81	416.35	3.67	-62.14
CCC(C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025313035	0	57	0.0	-60.09	421.09	3.62	-56.47
CCC[N@H+](C)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313040	0	57	0.0	-63.89	430.17	3.98	-59.91
CCC[N@@H+](C)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313040	1	57	0.0	-63.95	430.16	3.99	-59.96
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313048	0	55	0.0	-68.33	410.12	3.17	-65.16
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313048	1	55	0.0	-68.61	416.71	3.72	-64.89
CC[NH+](CC)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313053	0	57	0.0	-70.42	421.10	3.72	-66.70
CC[N@H+](C)CCC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313109	0	57	0.0	-67.50	431.04	3.77	-63.73
CC[N@@H+](C)CCC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313109	1	57	0.0	-67.47	431.04	3.78	-63.69
CC[C@@H](C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025313112	0	57	0.0	-68.77	420.78	3.67	-65.10
C[NH+](C)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313130	0	51	0.0	-68.98	390.10	2.62	-66.36
CC(C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025313134	1	55	0.0	-69.39	418.53	3.75	-65.64
C[N@H+](CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025313140	0	55	0.0	-60.91	420.22	3.98	-56.93
C[N@@H+](CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025313140	1	55	0.0	-61.64	420.37	3.98	-57.66
C[NH+]1CC(CC(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025313146	0	55	0.0	-66.38	422.23	3.39	-62.99
C[C@@H](C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025313153	0	54	0.0	-63.27	409.13	2.97	-60.30
[N-]=[N+]=NCC(=O)NC1CCCCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025313156	0	45	0.0	-21.84	367.86	-1.78	-23.62
C[C@@H](C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025313174	0	54	0.0	-63.27	409.13	2.97	-60.30
O=C(C[NH+]1CCC1)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313192	1	52	0.0	-64.63	401.19	3.09	-61.54
C[C@H](C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025313203	0	54	0.0	-70.82	408.35	3.06	-67.76
CC1C[NH+](CC(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025313209	1	55	0.0	-64.38	422.24	3.71	-60.67
CC[N@H+](C)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313226	0	54	0.0	-71.79	408.62	3.30	-68.49
CC[N@@H+](C)CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313226	1	54	0.0	-63.75	408.69	3.23	-60.52
C[NH+](C)CC=CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313242	0	55	0.0	-75.02	428.12	3.88	-71.14
CC[N@@H+]1CCC1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313248	1	55	0.0	-69.85	415.15	3.39	-66.46
CC[N@H+]1CCC1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313248	1	55	0.0	-63.23	415.48	3.22	-60.01
C[NH+](C)C(C)(C)C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313261	0	57	0.0	-73.51	418.74	3.59	-69.92
C[NH+](C)C1(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025313283	0	55	0.0	-74.36	419.11	3.89	-70.47
CC(C[NH+](C)C)C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313305	0	57	0.0	-67.63	429.35	3.83	-63.80
CC1CC[N@@H+]1CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313314	1	55	0.0	-63.72	422.29	3.65	-60.07
CC1CC[N@H+]1CC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313314	1	55	0.0	-69.84	416.11	3.48	-66.36
C[N@@H+]1CCCC1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313423	0	55	0.0	-65.67	407.34	3.02	-62.65
C[N@H+]1CCCC1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313423	1	55	0.0	-72.43	408.80	3.03	-69.40
CCC(C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025313494	0	57	0.0	-59.58	412.09	3.17	-56.41
CCC[N@H+](C)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313498	0	57	0.0	-74.71	429.30	3.91	-70.80
CCC[N@@H+](C)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313498	1	57	0.0	-61.73	430.19	3.88	-57.85
CC[N@H+](C)CCC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313515	0	57	0.0	-65.34	431.09	3.73	-61.61
CC[N@@H+](C)CCC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313515	1	57	0.0	-76.49	430.15	3.80	-72.69
CC[C@@H](C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025313555	0	57	0.0	-71.83	409.93	3.20	-68.63
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313601	0	55	0.0	-65.67	407.39	3.03	-62.64
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313601	1	55	0.0	-70.70	411.63	3.26	-67.44
C[C@@H](C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025313655	0	54	0.0	-72.73	405.26	2.85	-69.88
CC1C[NH+](CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025313679	1	55	0.0	-75.56	420.16	3.68	-71.88
CC[N@H+](C)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313697	0	54	0.0	-74.40	407.80	3.18	-71.22
CC[N@@H+](C)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313697	1	54	0.0	-61.49	408.69	3.14	-58.35
CC(C[NH+](C)C)C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313727	0	57	0.0	-76.11	424.15	3.53	-72.58
C[NH+](C)C1(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025313730	0	55	0.0	-75.09	408.99	2.96	-72.13
C[C@H](C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025313734	0	54	0.0	-70.00	403.45	2.71	-67.29
CC[N@@H+]1CCC1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313737	1	55	0.0	-68.14	411.15	3.02	-65.12
CC[N@H+]1CCC1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313737	1	55	0.0	-65.98	414.32	3.18	-62.80
C[NH+](C)C(C)(C)C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313745	0	57	0.0	-66.59	396.67	3.38	-63.21
[N-]=[N+]=NCC(=O)N1CCCCC(NC(=O)CSC2=NC(=O)NN2)CC1	REAL300025313791	0	45	0.0	-24.35	367.91	-1.94	-26.29
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313804	0	55	0.0	-70.24	414.52	3.37	-66.87
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313804	1	55	0.0	-70.41	403.92	2.82	-67.59
C[N@H+](CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025313841	0	55	0.0	-71.25	419.33	3.93	-67.32
C[N@@H+](CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025313841	1	55	0.0	-72.12	419.45	3.94	-68.18
C[NH+]1CC(CC(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025313869	0	55	0.0	-76.12	421.34	3.40	-72.72
C[NH+](C)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313872	0	51	0.0	-75.09	390.10	2.52	-72.57
C[C@@H](C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025313875	0	54	0.0	-72.73	405.26	2.85	-69.88
CC1CC[N@@H+]1CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313882	1	55	0.0	-72.05	415.83	3.34	-68.71
CC1CC[N@H+]1CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313882	1	55	0.0	-66.94	422.17	3.60	-63.34
C[NH+](C)CC=CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313883	0	55	0.0	-71.79	424.05	3.64	-68.15
CC[NH+](CC)CC(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313889	0	57	0.0	-72.32	425.78	3.86	-68.46
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C[NH+]2CCC2)CC1	REAL300025313890	1	52	0.0	-74.54	400.11	2.98	-71.56
CC(C(=O)N1CCCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025313912	1	55	0.0	-59.29	413.01	3.31	-55.98
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313980	0	55	0.0	-60.87	416.63	3.51	-57.36
C[N@H+]1CCC[C@H]1C(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025313980	1	55	0.0	-65.07	411.00	3.13	-61.94
C[NH+](C)CC(=O)N1CC(CO)C2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025314100	0	50	0.0	-73.70	407.96	-0.86	-74.56
C[C@@H](C(=O)N1CC(CO)C2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025314105	0	53	0.0	-72.95	425.21	-0.56	-73.51
[N-]=[N+]=NCC(=O)N1CC(CO)C2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025314108	0	44	0.0	-24.54	384.90	-5.25	-29.79
C[C@@H](C(=O)N1CC(CO)C2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025314118	0	53	0.0	-72.95	425.21	-0.56	-73.51
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[NH+]1CCC1)CC2CO	REAL300025314126	1	51	0.0	-74.69	418.80	-0.42	-75.11
C[C@H](C(=O)N1CC(CO)C2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025314131	0	53	0.0	-72.99	425.15	-0.53	-73.52
CC[N@H+](C)CC(=O)N1CC(CO)C2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025314143	0	53	0.0	-72.90	425.69	-0.19	-73.09
CC[N@@H+](C)CC(=O)N1CC(CO)C2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025314143	1	53	0.0	-73.33	425.77	-0.21	-73.54
C[C@@H](C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CC2CO)[NH+](C)C	REAL300025314280	0	53	0.0	-69.13	425.40	-0.46	-69.59
CC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CC2CO	REAL300025314299	0	53	0.0	-70.08	425.72	-0.16	-70.24
CC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CC2CO	REAL300025314299	1	53	0.0	-69.54	426.65	-0.18	-69.72
C[C@H](C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CC2CO)[NH+](C)C	REAL300025314312	0	53	0.0	-69.42	426.42	-0.43	-69.85
[N-]=[N+]=NCC(=O)N1CC2(C1)CN(C(=O)CSC1=NC(=O)NN1)CC2CO	REAL300025314336	0	44	0.0	-28.70	385.02	-5.22	-33.92
C[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CC2CO	REAL300025314363	0	50	0.0	-80.68	408.01	-0.81	-81.49
C[C@@H](C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CC2CO)[NH+](C)C	REAL300025314366	0	53	0.0	-69.13	425.40	-0.46	-69.59
O=C(C[NH+]1CCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CC2CO	REAL300025314373	1	51	0.0	-69.98	419.17	-0.34	-70.32
C[NH+](C)CC(=O)N1CCCCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025314441	0	55	0.0	-74.40	431.42	4.61	-69.79
[N-]=[N+]=NCC(=O)N1CCCCC(C2CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025314446	0	49	0.0	-23.50	408.54	0.10	-23.40
[N-]=[N+]=NCC(=O)N1CC(C2CCCCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025314510	0	49	0.0	-23.19	408.39	0.27	-22.92
C[NH+](C)CC(=O)N1CC(C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025314517	0	55	0.0	-66.27	431.42	4.66	-61.61
C[N@@H+]1CCCC1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314630	0	53	0.0	-72.95	414.17	2.33	-70.62
C[N@H+]1CCCC1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314630	1	53	0.0	-65.82	422.02	2.90	-62.92
CCC(C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025314733	0	55	0.0	-72.16	425.13	2.84	-69.32
CCC[N@H+](C)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314738	0	55	0.0	-73.65	433.26	3.21	-70.44
CCC[N@@H+](C)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314738	1	55	0.0	-73.79	433.26	3.21	-70.58
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314746	0	53	0.0	-71.63	414.48	2.42	-69.21
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314746	1	53	0.0	-68.67	419.93	2.90	-65.77
CC[NH+](CC)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314751	0	55	0.0	-71.90	425.68	2.86	-69.04
CC[N@H+](C)CCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314809	0	55	0.0	-74.75	434.13	3.00	-71.75
CC[N@@H+](C)CCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314809	1	55	0.0	-74.70	434.12	3.01	-71.69
CC[C@@H](C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025314812	0	55	0.0	-70.38	425.00	2.92	-67.46
C[NH+](C)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314830	0	49	0.0	-74.04	394.03	1.79	-72.25
CC(C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+]1CCC1	REAL300025314834	1	53	0.0	-70.62	422.77	2.94	-67.68
C[N@H+](CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)C1CC1	REAL300025314841	0	53	0.0	-71.32	423.44	3.20	-68.12
C[N@@H+](CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)C1CC1	REAL300025314841	1	53	0.0	-71.45	423.43	3.20	-68.25
C[NH+]1CC(CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC3C2)C1	REAL300025314847	0	53	0.0	-73.86	425.48	2.62	-71.24
C[C@@H](C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025314854	0	52	0.0	-71.60	412.75	2.28	-69.32
[N-]=[N+]=NCC(=O)NC1CC2CN(C(=O)CSC3=NC(=O)NN3)CC2C1	REAL300025314857	0	43	0.0	-24.77	371.40	-2.54	-27.31
C[C@@H](C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025314876	0	52	0.0	-71.60	412.75	2.28	-69.32
O=C(C[NH+]1CCC1)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314894	1	50	0.0	-74.02	404.41	2.26	-71.76
C[C@H](C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025314905	0	52	0.0	-72.18	412.25	2.20	-69.98
CC1C[NH+](CC(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC3C2)C1	REAL300025314912	1	53	0.0	-73.99	425.38	2.87	-71.12
C[N@H+](CCO)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314923	1	53	0.0	-74.39	422.11	-0.78	-75.17
C[N@@H+](CCO)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314923	1	53	0.0	-73.77	421.87	-0.76	-74.53
CC[N@H+](C)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314930	0	52	0.0	-73.35	411.76	2.46	-70.89
CC[N@@H+](C)CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314930	1	52	0.0	-73.37	411.76	2.45	-70.92
C[NH+](C)CC=CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314948	0	53	0.0	-78.66	431.95	3.08	-75.58
CC[N@@H+]1CCC1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314954	1	53	0.0	-70.23	419.15	2.53	-67.70
CC[N@H+]1CCC1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314954	1	53	0.0	-71.65	426.41	2.92	-68.73
C[NH+](C)C(C)(C)C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025314968	0	55	0.0	-74.79	421.92	3.02	-71.77
C[NH+](C)C1(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC3C2)CC1	REAL300025314991	0	53	0.0	-72.72	417.89	3.48	-69.24
CC(C[NH+](C)C)C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315013	0	55	0.0	-73.67	432.92	3.15	-70.52
CC1CC[N@@H+]1CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315024	1	53	0.0	-71.50	419.83	2.61	-68.89
CC1CC[N@H+]1CC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315024	1	53	0.0	-72.47	425.36	2.87	-69.60
C[N@@H+]1CCCC1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315139	0	53	0.0	-71.05	413.27	2.29	-68.76
C[N@H+]1CCCC1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315139	1	53	0.0	-68.49	417.61	2.64	-65.85
CCC(C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025315213	0	55	0.0	-73.28	423.36	2.79	-70.49
CCC[N@H+](C)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315217	0	55	0.0	-75.62	433.93	3.17	-72.45
CCC[N@@H+](C)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315217	1	55	0.0	-71.83	433.26	3.16	-68.67
CC[N@H+](C)CCC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315234	0	55	0.0	-73.62	434.13	2.99	-70.63
CC[N@@H+](C)CCC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315234	1	55	0.0	-77.50	434.13	3.00	-74.50
CC[C@@H](C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025315275	0	55	0.0	-73.87	424.44	2.78	-71.09
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315321	0	53	0.0	-71.06	413.06	2.28	-68.78
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315321	1	53	0.0	-67.64	416.93	2.65	-64.99
C[C@@H](C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025315376	0	52	0.0	-73.78	410.71	2.16	-71.62
C[N@H+](CCO)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315386	1	53	0.0	-72.44	422.11	-0.83	-73.27
C[N@@H+](CCO)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315386	1	53	0.0	-75.96	422.57	-0.80	-76.76
CC1C[NH+](CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)CC3C2)C1	REAL300025315402	1	53	0.0	-71.29	425.77	2.91	-68.38
CC[N@H+](C)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315420	0	52	0.0	-75.18	412.42	2.43	-72.75
CC[N@@H+](C)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315420	1	52	0.0	-75.22	412.43	2.42	-72.80
CC(C[NH+](C)C)C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315453	0	55	0.0	-71.97	431.84	2.95	-69.02
C[NH+](C)C1(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)CC3C2)CC1	REAL300025315456	0	53	0.0	-76.06	416.01	2.07	-73.99
C[C@H](C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025315460	0	52	0.0	-71.80	411.16	2.06	-69.74
CC[N@@H+]1CCC1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315463	1	53	0.0	-73.85	415.51	2.38	-71.47
CC[N@H+]1CCC1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315463	1	53	0.0	-73.15	416.43	2.32	-70.83
C[NH+](C)C(C)(C)C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315472	0	55	0.0	-78.06	414.55	2.24	-75.82
[N-]=[N+]=NCC(=O)N1CC2CC(NC(=O)CSC3=NC(=O)NN3)CC2C1	REAL300025315521	0	43	0.0	-24.53	370.99	-2.66	-27.19
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315534	0	53	0.0	-68.11	417.64	2.69	-65.42
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315534	1	53	0.0	-70.47	412.81	2.33	-68.14
C[N@H+](CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)C1CC1	REAL300025315571	0	53	0.0	-72.35	423.98	3.16	-69.19
C[N@@H+](CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)C1CC1	REAL300025315571	1	53	0.0	-72.86	423.45	3.16	-69.70
C[NH+]1CC(CC(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)CC3C2)C1	REAL300025315599	0	53	0.0	-73.47	425.32	2.59	-70.88
C[NH+](C)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315602	0	49	0.0	-75.95	394.70	1.76	-74.19
C[C@@H](C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025315605	0	52	0.0	-73.78	410.71	2.16	-71.62
CC1CC[N@@H+]1CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315614	1	53	0.0	-67.83	426.29	2.84	-64.99
CC1CC[N@H+]1CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315614	1	53	0.0	-72.83	421.06	2.70	-70.13
C[NH+](C)CC=CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315615	0	53	0.0	-80.46	430.23	2.98	-77.48
CC[NH+](CC)CC(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315621	0	55	0.0	-73.28	430.76	3.17	-70.11
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C[NH+]3CCC3)CC2C1	REAL300025315622	1	50	0.0	-75.89	405.01	2.24	-73.65
CC(C(=O)N1CC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+]1CCC1	REAL300025315645	1	53	0.0	-74.46	415.92	2.43	-72.03
NC(=[NH2+])SCC(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315685	0	47	0.0	-74.19	402.98	-1.26	-75.45
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315717	0	53	0.0	-70.06	419.71	2.75	-67.31
C[N@H+]1CCC[C@H]1C(=O)NC1CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025315717	1	53	0.0	-72.20	414.84	2.44	-69.76
C[NH+](C)CC(=O)N1CCCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025315840	0	52	0.0	-70.77	405.18	3.32	-67.45
C[C@@H](C(=O)N1CCCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025315845	0	55	0.0	-74.06	414.43	3.86	-70.20
[N-]=[N+]=NCC(=O)N1CCCCC2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025315848	0	46	0.0	-22.78	380.80	-0.77	-23.55
C[C@@H](C(=O)N1CCCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025315858	0	55	0.0	-74.06	414.43	3.86	-70.20
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCCN(C(=O)C[NH+]1CCC1)C2	REAL300025315866	1	53	0.0	-75.31	413.41	4.12	-71.19
C[C@H](C(=O)N1CCCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025315871	0	55	0.0	-72.15	416.40	3.68	-68.47
CC[N@H+](C)CC(=O)N1CCCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025315883	0	55	0.0	-74.93	421.10	4.03	-70.90
CC[N@@H+](C)CC(=O)N1CCCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025315883	1	55	0.0	-72.99	424.58	4.15	-68.84
C[C@@H](C(=O)N1CC2(C1)CCCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025316029	0	55	0.0	-57.20	424.20	3.92	-53.28
CC[N@H+](C)CC(=O)N1CC2(C1)CCCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025316048	0	55	0.0	-58.52	421.63	4.41	-54.11
CC[N@@H+](C)CC(=O)N1CC2(C1)CCCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025316048	1	55	0.0	-71.09	421.06	4.09	-67.00
C[C@H](C(=O)N1CC2(C1)CCCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025316061	0	55	0.0	-56.04	422.89	3.77	-52.27
[N-]=[N+]=NCC(=O)N1CC2(C1)CCCCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025316086	0	46	0.0	-22.75	382.25	-1.01	-23.76
C[NH+](C)CC(=O)N1CC2(C1)CCCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025316117	0	52	0.0	-72.01	403.37	3.42	-68.59
C[C@@H](C(=O)N1CC2(C1)CCCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025316120	0	55	0.0	-57.20	424.20	3.92	-53.28
O=C(C[NH+]1CCC1)N1CC2(C1)CCCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025316127	1	53	0.0	-59.45	414.33	4.20	-55.25
C[N@@H+]1CCCC1C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316326	0	50	0.0	-68.40	404.87	2.61	-65.79
C[N@H+]1CCCC1C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316326	1	50	0.0	-69.41	404.02	2.21	-67.20
CC1=[NH+]C=CN1CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316486	1	48	0.0	-68.11	409.11	3.13	-64.98
C[C@@H]1[C@H](C(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)CC[N@@H+]1C	REAL300025316502	0	53	0.0	-73.36	416.34	2.49	-70.87
C[C@@H]1[C@H](C(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)CC[N@H+]1C	REAL300025316502	1	53	0.0	-72.55	419.80	2.64	-69.91
C[N@H+](CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C1CCC1	REAL300025316526	0	53	0.0	-70.76	423.45	3.25	-67.51
C[N@@H+](CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C1CCC1	REAL300025316526	1	53	0.0	-71.09	423.59	3.26	-67.83
C[NH+]1CCC(C(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)CC1	REAL300025316550	0	53	0.0	-73.74	424.26	3.18	-70.56
CC1=C[NH+]=CN1CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316565	1	48	0.0	-70.77	409.44	3.86	-66.91
C[N@@H+]1CCC(CC(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025316572	0	53	0.0	-72.56	426.33	3.04	-69.52
C[N@H+]1CCC(CC(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025316572	1	53	0.0	-72.17	426.64	3.11	-69.06
CCC(C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025316575	0	52	0.0	-69.02	410.33	2.52	-66.50
C[NH+](C)CCCCC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316586	0	55	0.0	-72.70	445.04	3.65	-69.05
CCC[N@H+](C)CCC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316590	0	55	0.0	-73.05	441.27	3.48	-69.57
CCC[N@@H+](C)CCC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316590	1	55	0.0	-72.93	441.27	3.47	-69.46
CCC[N@H+](C)CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316591	0	52	0.0	-71.75	418.91	2.93	-68.82
CCC[N@@H+](C)CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316591	1	52	0.0	-71.73	418.91	2.93	-68.80
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316603	0	50	0.0	-70.41	399.78	2.06	-68.35
C[N@H+]1CCC[C@@H]1C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316603	1	50	0.0	-68.36	406.07	2.59	-65.77
CC[NH+](CC)CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316611	0	52	0.0	-69.79	415.78	2.87	-66.92
C[NH+](C)CC1(C(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)CC1	REAL300025316656	0	53	0.0	-73.73	423.75	3.30	-70.43
C[NH+]1CCC(C(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)CC1	REAL300025316672	0	53	0.0	-73.74	424.26	3.18	-70.56
CC[N@H+](C)CCC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316698	0	52	0.0	-72.22	419.77	2.73	-69.49
CC[N@@H+](C)CCC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316698	1	52	0.0	-72.24	419.77	2.72	-69.52
CC1CCC[N@@H+]1CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316707	0	53	0.0	-68.55	425.81	3.21	-65.34
CC1CCC[N@H+]1CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316707	1	53	0.0	-69.98	422.90	2.93	-67.05
CC1CC[N@H+](CC(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025316708	0	53	0.0	-70.73	426.03	3.20	-67.53
CC1CC[N@@H+](CC(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025316708	1	53	0.0	-70.90	425.81	3.25	-67.65
CC[C@@H](C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025316710	0	52	0.0	-68.94	409.77	2.54	-66.40
C[NH+](C)CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316739	0	46	0.0	-72.08	379.68	1.51	-70.57
CN1C=C[N+](CC(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)=C1	REAL300025316740	0	48	0.0	-69.16	410.91	5.03	-64.13
C[N@@H+]1CCCC(C(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025316743	0	53	0.0	-66.46	418.14	3.34	-63.12
C[N@H+]1CCCC(C(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025316743	1	53	0.0	-67.36	415.63	3.08	-64.28
CC(C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+]1CCC1	REAL300025316749	1	50	0.0	-68.96	407.90	2.60	-66.36
C[N@H+](CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C1CC1	REAL300025316758	0	50	0.0	-68.87	408.94	2.92	-65.95
C[N@@H+](CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C1CC1	REAL300025316758	1	50	0.0	-69.38	409.08	2.92	-66.46
C[NH+]1CC(CC(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025316767	0	50	0.0	-71.92	411.12	2.34	-69.58
C[C@@H](C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025316779	0	49	0.0	-69.82	397.80	1.92	-67.90
[N-]=[N+]=NCC(=O)NC1(C2CN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025316786	0	40	0.0	-24.11	356.64	-2.89	-27.00
C[N@H+](CCO)CCC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316813	0	53	0.0	-72.06	430.13	-0.49	-72.55
C[N@@H+](CCO)CCC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316813	1	53	0.0	-71.93	430.11	-0.51	-72.44
C[C@@H](C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025316814	0	49	0.0	-69.82	397.80	1.92	-67.90
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316817	0	53	0.0	-68.94	412.33	2.95	-65.99
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316817	1	53	0.0	-68.64	421.53	3.09	-65.55
O=C(C[NH+]1CCC1)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316841	1	47	0.0	-71.62	389.99	2.00	-69.62
C[N@@H+]1CCC(=CC(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025316849	0	51	0.0	-73.83	418.53	3.07	-70.76
C[N@H+]1CCC(=CC(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025316849	1	51	0.0	-73.97	417.55	3.11	-70.86
C[NH+](C)CCOCC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316857	0	53	0.0	-70.98	435.54	2.41	-68.57
C[C@H](C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025316867	0	49	0.0	-69.96	397.83	1.93	-68.03
CC1C[NH+](CC(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025316883	1	50	0.0	-71.85	409.75	2.69	-69.16
C[N@H+](CCO)CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316895	1	50	0.0	-72.08	407.76	-1.05	-73.13
C[N@@H+](CCO)CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316895	1	50	0.0	-71.56	407.51	-1.04	-72.60
CC(CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C[NH+](C)C	REAL300025316905	0	55	0.0	-72.28	436.87	3.52	-68.76
CC[N@H+](C)CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316907	0	49	0.0	-71.28	397.41	2.19	-69.09
CC[N@@H+](C)CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316907	1	49	0.0	-71.29	397.41	2.19	-69.10
CC[N@H+](CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C1CC1	REAL300025316916	0	53	0.0	-68.16	428.27	3.53	-64.63
CC[N@@H+](CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C1CC1	REAL300025316916	1	53	0.0	-69.98	423.72	3.24	-66.74
CC[NH+](CC)CCC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316921	0	55	0.0	-71.29	437.62	3.43	-67.86
CC1(C)C[NH+](CC(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025316929	1	53	0.0	-71.53	430.29	3.15	-68.38
C[NH+](C)CC=CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316934	0	50	0.0	-74.38	415.62	2.74	-71.64
COCC[N@H+](C)CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316941	1	53	0.0	-71.44	429.77	1.36	-70.08
COCC[N@@H+](C)CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316941	1	53	0.0	-72.24	430.01	1.35	-70.89
CC(CCC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025316948	0	55	0.0	-73.62	433.32	3.25	-70.37
CC[N@@H+]1CCC1C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316952	1	50	0.0	-70.23	411.28	2.50	-67.73
CC[N@H+]1CCC1C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316952	1	50	0.0	-70.53	401.91	1.92	-68.61
C=CCC(C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025316974	0	53	0.0	-68.44	423.35	3.00	-65.44
O=C(C[NH+]1CC2CC2C1)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316981	0	51	0.0	-71.57	414.22	3.35	-68.22
CCCC(C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025316986	0	55	0.0	-70.11	431.59	3.30	-66.81
C[N@@H+]1CCCCC1C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316996	0	53	0.0	-68.42	421.41	3.09	-65.33
C[N@H+]1CCCCC1C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025316996	1	53	0.0	-68.68	421.39	3.09	-65.59
O=C(CC[NH+]1CCCC1)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025317028	0	53	0.0	-71.80	428.00	3.25	-68.55
CC(C[NH+](C)C)C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025317063	0	52	0.0	-71.90	418.08	2.79	-69.11
CC(C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+]1CC(C)C1	REAL300025317084	1	53	0.0	-68.74	427.22	3.22	-65.52
CC1CC[N@@H+]1CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025317085	1	50	0.0	-69.36	405.41	2.34	-67.02
CC1CC[N@H+]1CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025317085	1	50	0.0	-70.14	410.93	2.64	-67.50
C[NH+](C)CC(O)CC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025317086	0	53	0.0	-75.10	432.16	0.42	-74.68
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025317113	0	53	0.0	-71.52	429.22	3.26	-68.26
CC(CC[NH+](C)C)C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025317114	0	55	0.0	-71.87	439.71	3.41	-68.46
C[N@@H+]1CCCC1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317280	0	50	0.0	-72.45	398.59	1.96	-70.49
C[N@H+]1CCCC1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317280	1	50	0.0	-69.35	403.22	2.45	-66.90
C[N@@H+]1CCOC(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025317306	1	51	0.0	-79.07	405.46	1.63	-77.44
C[N@H+]1CCOC(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025317306	1	51	0.0	-85.28	412.52	1.83	-83.45
C[N@@H+]1CCC(CC(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025317456	0	53	0.0	-75.13	426.45	3.06	-72.07
C[N@H+]1CCC(CC(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025317456	1	53	0.0	-76.06	426.13	3.10	-72.96
CCC(C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025317459	0	52	0.0	-70.52	409.62	2.47	-68.05
C[NH+](C)CCCCC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317469	0	55	0.0	-75.29	445.04	3.64	-71.65
CC(C)C(C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025317474	0	55	0.0	-71.41	424.59	3.13	-68.28
CCC[N@H+](C)CCC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317475	0	55	0.0	-75.08	441.27	3.47	-71.61
CCC[N@@H+](C)CCC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317475	1	55	0.0	-76.82	439.34	3.12	-73.70
CCC[N@H+](C)CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317476	0	52	0.0	-72.57	418.91	2.91	-69.66
CCC[N@@H+](C)CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317476	1	52	0.0	-74.34	416.58	2.65	-71.69
C[NH+](C)CC1(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)CC1	REAL300025317515	0	53	0.0	-71.70	430.87	3.31	-68.39
CC[N@H+](C)CCC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317521	0	52	0.0	-74.32	419.77	2.72	-71.60
CC[N@@H+](C)CCC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317521	1	52	0.0	-74.17	419.77	2.72	-71.45
C[NH+]1CCC(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)CC1	REAL300025317545	0	53	0.0	-76.69	421.67	2.93	-73.76
CC(C)[C@H](C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025317560	0	55	0.0	-69.96	424.29	3.15	-66.81
C[NH+](C)C1(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)CCC1	REAL300025317584	0	53	0.0	-68.46	405.84	2.52	-65.94
CC1CCC[N@@H+]1CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317609	0	53	0.0	-70.66	416.40	2.50	-68.16
CC1CCC[N@H+]1CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317609	1	53	0.0	-70.61	416.49	2.50	-68.11
CC(C)[C@@H](C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025317620	0	55	0.0	-71.36	423.11	2.97	-68.39
CC1CC[N@H+](CC(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025317628	0	53	0.0	-73.10	423.08	2.82	-70.28
CC1CC[N@@H+](CC(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025317628	1	53	0.0	-71.51	424.91	3.15	-68.36
CC[C@@H](C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025317630	0	52	0.0	-70.15	410.37	2.49	-67.66
CC1=[NH+]C=CN1CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317669	1	48	0.0	-70.92	406.75	2.85	-68.07
CC1=C[NH+]=CN1CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317687	1	48	0.0	-74.16	407.11	3.59	-70.57
C[C@@H]1[C@H](C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)CC[N@@H+]1C	REAL300025317688	0	53	0.0	-76.69	415.01	2.40	-74.29
C[C@@H]1[C@H](C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)CC[N@H+]1C	REAL300025317688	1	53	0.0	-76.32	422.38	2.75	-73.57
C[N@H+](CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)C1CCC1	REAL300025317720	0	53	0.0	-70.69	425.81	3.47	-67.22
C[N@@H+](CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)C1CCC1	REAL300025317720	1	53	0.0	-70.39	425.68	3.46	-66.93
C[NH+]1CCC(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)CC1	REAL300025317727	0	53	0.0	-76.69	421.67	2.93	-73.76
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317740	0	50	0.0	-72.61	398.69	1.99	-70.62
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317740	1	50	0.0	-71.10	401.75	2.09	-69.01
C[N@@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317783	0	53	0.0	-69.34	408.21	2.64	-66.70
C[N@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317783	1	53	0.0	-68.14	421.51	3.08	-65.06
CC1C(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)CC[N@@H+]1C	REAL300025317812	0	53	0.0	-71.12	423.54	2.93	-68.19
CC1C(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)CC[N@H+]1C	REAL300025317812	1	53	0.0	-71.26	420.06	2.64	-68.62
C[C@@H](C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025317853	0	49	0.0	-71.72	397.08	1.86	-69.86
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)CC[NH+]3CCCC3)C2)CC1	REAL300025317871	0	53	0.0	-73.71	428.01	3.23	-70.48
C[N@H+](CCO)CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317876	1	50	0.0	-75.19	405.44	-1.32	-76.51
C[N@@H+](CCO)CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317876	1	50	0.0	-73.09	407.56	-1.06	-74.15
CC1C[NH+](CC(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025317922	1	50	0.0	-74.35	409.04	2.23	-72.12
CC[N@H+](C)CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317956	0	49	0.0	-72.17	397.28	2.15	-70.02
CC[N@@H+](C)CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025317956	1	49	0.0	-74.01	395.09	1.91	-72.10
COCC[N@H+](C)CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318009	1	53	0.0	-73.04	429.81	1.34	-71.70
COCC[N@@H+](C)CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318009	1	53	0.0	-73.01	429.90	1.32	-71.69
CC(CCC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025318011	0	55	0.0	-77.39	433.32	3.23	-74.16
CC[N@H+](CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)C1CC1	REAL300025318016	0	53	0.0	-68.78	428.26	3.53	-65.25
CC[N@@H+](CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)C1CC1	REAL300025318016	1	53	0.0	-70.73	421.02	3.41	-67.32
C[N@@H+]1CC2CC1(C(=O)N1CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C1)C2	REAL300025318029	0	51	0.0	-77.28	405.45	2.29	-74.99
C[N@H+]1CC2CC1(C(=O)N1CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C1)C2	REAL300025318029	1	51	0.0	-77.61	403.22	2.24	-75.37
CC(C[NH+](C)C)C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318038	0	52	0.0	-68.94	414.72	2.64	-66.30
C[NH+](C)C1(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)CC1	REAL300025318044	0	50	0.0	-73.46	405.29	2.42	-71.04
C[C@H](C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025318054	0	49	0.0	-70.25	397.90	1.90	-68.35
CC[N@@H+]1CCC1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318057	0	50	0.0	-70.00	404.23	2.22	-67.78
CC[N@H+]1CCC1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318057	1	50	0.0	-73.80	408.92	2.27	-71.53
NC1=CC=[NH+]C=C1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318072	0	46	0.0	-73.05	386.16	-0.45	-73.50
CCCC(C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025318076	0	55	0.0	-71.40	431.12	3.25	-68.15
C[NH+](C)C(C)(C)C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318079	0	52	0.0	-74.69	402.11	2.56	-72.13
CC(CC[NH+](C)C)C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318088	0	55	0.0	-74.35	437.09	3.16	-71.19
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C[NH+]3CC4CC4C3)C2)CC1	REAL300025318148	0	51	0.0	-74.11	413.21	3.02	-71.09
C[N@@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318158	0	53	0.0	-69.34	408.21	2.64	-66.70
C[N@H+]1CCCCC1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318158	1	53	0.0	-68.14	421.51	3.08	-65.06
C[N@@H+]1CCC(=CC(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025318186	0	51	0.0	-76.58	418.29	3.02	-73.56
C[N@H+]1CCC(=CC(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025318186	1	51	0.0	-78.27	415.55	2.70	-75.57
[N-]=[N+]=NCC(=O)N1CC(C2(NC(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025318193	0	40	0.0	-25.07	356.64	-2.91	-27.98
CCC1C[NH+](CC(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025318209	0	53	0.0	-73.46	432.24	3.32	-70.14
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318214	0	50	0.0	-71.62	403.25	2.17	-69.45
C[N@H+]1CCC[C@H]1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318214	1	50	0.0	-74.07	396.21	1.74	-72.33
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025318257	0	53	0.0	-74.95	429.33	3.25	-71.70
C[NH+](C)CCOCC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318274	0	53	0.0	-72.52	435.55	2.60	-69.92
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C[NH+]3CCCCC3)C2)CC1	REAL300025318308	0	53	0.0	-71.83	421.41	3.37	-68.46
C[N@@H+]1CCCC(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025318309	0	53	0.0	-66.30	415.39	3.08	-63.22
C[N@H+]1CCCC(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025318309	1	53	0.0	-73.81	421.67	2.88	-70.93
CN1C=C[N+](CC(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)=C1	REAL300025318310	0	48	0.0	-70.83	410.91	5.01	-65.82
C[N@H+](CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)C1CC1	REAL300025318320	0	50	0.0	-69.76	408.85	2.89	-66.87
C[N@@H+](CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)C1CC1	REAL300025318320	1	50	0.0	-70.19	409.10	2.90	-67.29
CC(CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)C[NH+](C)C	REAL300025318328	0	55	0.0	-74.44	436.70	3.52	-70.92
C[NH+]1CC(CC(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025318378	0	50	0.0	-73.57	410.65	2.22	-71.35
C[NH+](C)CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318385	0	46	0.0	-72.99	379.68	1.49	-71.50
C[N@H+](CCO)CCC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318395	0	53	0.0	-75.61	428.19	-0.85	-76.46
C[N@@H+](CCO)CCC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318395	1	53	0.0	-73.97	430.11	-0.51	-74.48
C[C@@H](C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025318396	0	49	0.0	-71.72	397.08	1.86	-69.86
CC(C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+]1CC(C)C1	REAL300025318410	0	53	0.0	-70.27	424.62	2.94	-67.33
CC1CC[N@@H+]1CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318411	0	50	0.0	-70.43	405.39	2.30	-68.13
CC1CC[N@H+]1CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318411	1	50	0.0	-70.84	410.90	2.60	-68.24
C[NH+](C)CC=CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318413	0	50	0.0	-77.55	415.39	2.69	-74.86
CC1(C)C[NH+](CC(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025318417	1	53	0.0	-72.65	430.29	3.11	-69.54
CC[NH+](CC)CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318433	0	52	0.0	-70.84	411.27	2.57	-68.27
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C[NH+]3CCC3)C2)CC1	REAL300025318438	1	47	0.0	-74.48	388.05	1.63	-72.85
CC[NH+](CC)CCC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318458	0	55	0.0	-73.33	437.63	3.42	-69.91
CC(C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+]1CCC1	REAL300025318487	0	50	0.0	-69.83	401.71	2.13	-67.70
C[NH+](C)CC(C)(C)C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318491	0	55	0.0	-72.60	423.49	2.80	-69.80
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318512	0	53	0.0	-69.42	408.10	2.62	-66.80
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318512	1	53	0.0	-70.50	419.45	2.71	-67.79
C[NH+](C)CC(O)CC(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025318522	0	53	0.0	-77.75	432.17	0.55	-77.20
C=CCC(C(=O)N1CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025318534	0	53	0.0	-69.71	422.89	2.95	-66.76
NC(=[NH2+])SCC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025318557	0	44	0.0	-72.20	388.20	-1.61	-73.81
C[N@@H+]1CCC[C@H]1C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025318611	0	50	0.0	-69.00	403.42	2.10	-66.90
C[N@H+]1CCC[C@H]1C(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025318611	1	50	0.0	-71.57	397.76	1.69	-69.88
O=C(C[NH+]1CCCCC1)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025318618	0	53	0.0	-71.08	421.79	3.39	-67.69
CC1C(C(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)CC[N@@H+]1C	REAL300025318621	0	53	0.0	-71.85	417.31	2.73	-69.12
CC1C(C(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)CC[N@H+]1C	REAL300025318621	1	53	0.0	-72.85	419.41	2.75	-70.10
C[NH+](C)CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025318833	0	52	0.0	-61.75	391.38	3.45	-58.30
C[C@@H](C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025318838	0	55	0.0	-62.38	406.98	3.79	-58.59
[N-]=[N+]=NCC(=O)N1CCC2(CCCN2C(=O)CSC2=NC(=O)NN2)CC1	REAL300025318841	0	46	0.0	-22.00	368.35	-0.96	-22.96
C[C@@H](C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025318851	0	55	0.0	-62.38	406.98	3.79	-58.59
O=C(CSC1=NNC(=O)[N-]1)N1CCCC12CCN(C(=O)C[NH+]1CCC1)CC2	REAL300025318859	1	53	0.0	-61.34	401.48	3.87	-57.47
C[C@H](C(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025318864	0	55	0.0	-59.56	407.46	3.81	-55.75
CC[N@H+](C)CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025318876	0	55	0.0	-60.94	409.19	4.13	-56.81
CC[N@@H+](C)CC(=O)N1CCC2(CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025318876	1	55	0.0	-61.05	409.20	4.12	-56.93
C[C@@H](C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025319014	0	55	0.0	-72.32	405.65	3.86	-68.46
CC[N@H+](C)CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025319032	0	55	0.0	-74.53	408.25	4.12	-70.41
CC[N@@H+](C)CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025319032	1	55	0.0	-74.48	408.62	4.15	-70.33
C[C@H](C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025319041	0	55	0.0	-71.96	405.66	3.80	-68.16
[N-]=[N+]=NCC(=O)N1CCCC12CCN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300025319063	0	46	0.0	-20.87	368.36	-0.91	-21.78
C[NH+](C)CC(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025319088	0	52	0.0	-74.88	390.74	3.46	-71.42
C[C@@H](C(=O)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025319091	0	55	0.0	-72.32	405.65	3.86	-68.46
O=C(C[NH+]1CCC1)N1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025319097	1	53	0.0	-74.49	401.73	3.96	-70.53
C[NH+](C)CC(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025319229	0	50	0.0	-73.41	398.36	1.19	-72.22
C[C@@H](C(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025319234	0	53	0.0	-75.12	414.68	1.61	-73.51
[N-]=[N+]=NCC(=O)N1CCOC2(CCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025319237	0	44	0.0	-24.29	376.37	-3.17	-27.46
C[C@@H](C(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025319247	0	53	0.0	-75.12	414.68	1.61	-73.51
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(C1)CN(C(=O)C[NH+]1CCC1)CCO2	REAL300025319255	1	51	0.0	-72.67	409.74	1.69	-70.98
C[C@H](C(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025319260	0	53	0.0	-72.26	415.84	1.56	-70.70
CC[N@H+](C)CC(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025319272	0	53	0.0	-72.48	417.19	1.89	-70.59
CC[N@@H+](C)CC(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025319272	1	53	0.0	-72.28	417.19	1.88	-70.40
C[C@@H](C(=O)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300025319409	0	53	0.0	-68.11	416.29	1.64	-66.47
CC[N@H+](C)CC(=O)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025319428	0	53	0.0	-71.68	417.17	1.93	-69.75
CC[N@@H+](C)CC(=O)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025319428	1	53	0.0	-71.67	417.18	1.93	-69.74
C[C@H](C(=O)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300025319441	0	53	0.0	-68.19	415.30	1.56	-66.63
[N-]=[N+]=NCC(=O)N1CCC2(C1)CN(C(=O)CSC1=NC(=O)NN1)CCO2	REAL300025319465	0	44	0.0	-25.16	376.43	-3.15	-28.31
C[NH+](C)CC(=O)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025319492	0	50	0.0	-72.45	399.44	1.27	-71.18
C[C@@H](C(=O)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300025319495	0	53	0.0	-68.11	416.29	1.64	-66.47
O=C(C[NH+]1CCC1)N1CCC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025319502	1	51	0.0	-69.87	409.71	1.76	-68.11
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1CCC[N@@H+]1C	REAL300025319636	0	55	0.0	-74.13	424.18	2.60	-71.53
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1CCC[N@H+]1C	REAL300025319636	1	55	0.0	-74.06	424.16	2.60	-71.46
CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025319736	0	57	0.0	-71.15	430.53	3.31	-67.84
CCC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025319741	0	57	0.0	-74.49	439.37	3.74	-70.75
CCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025319741	1	57	0.0	-74.43	439.38	3.73	-70.70
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300025319749	0	55	0.0	-70.66	430.60	3.06	-67.60
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300025319749	1	55	0.0	-72.34	424.15	2.60	-69.74
CC[NH+](CC)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025319754	0	57	0.0	-72.80	431.73	3.41	-69.39
CC[N@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025319810	0	57	0.0	-75.64	440.24	3.54	-72.10
CC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025319810	1	57	0.0	-75.57	440.24	3.54	-72.03
CC[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025319813	0	57	0.0	-72.17	430.54	3.33	-68.84
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C[NH+](C)C	REAL300025319831	0	51	0.0	-74.54	404.23	2.07	-72.47
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CCC1	REAL300025319835	1	55	0.0	-71.90	434.18	2.98	-68.92
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C[N@H+](C)C1CC1	REAL300025319841	0	55	0.0	-71.64	429.42	3.73	-67.91
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C[N@@H+](C)C1CC1	REAL300025319841	1	55	0.0	-71.16	433.49	3.48	-67.68
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)CC1C[NH+](C)C1	REAL300025319847	0	55	0.0	-75.33	431.58	3.15	-72.18
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025319854	0	54	0.0	-73.33	418.23	2.72	-70.61
CC1CN(C(=O)CSC2=NC(=O)NN2)CCC1CNC(=O)CN=[N+]=[N-]	REAL300025319857	0	45	0.0	-25.13	377.11	-2.08	-27.21
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025319875	0	54	0.0	-73.33	418.23	2.72	-70.61
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C[NH+]1CCC1	REAL300025319893	1	52	0.0	-74.43	410.23	2.75	-71.68
C[C@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025319904	0	54	0.0	-72.94	422.28	2.48	-70.46
CC1C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025319910	1	55	0.0	-74.52	434.23	3.22	-71.30
CC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025319927	0	54	0.0	-74.08	417.88	2.99	-71.09
CC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025319927	1	54	0.0	-74.00	417.88	2.99	-71.01
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C=CC[NH+](C)C	REAL300025319943	0	55	0.0	-78.27	440.19	3.28	-74.99
CC[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025319949	1	55	0.0	-73.02	427.97	2.92	-70.10
CC[N@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025319949	1	55	0.0	-72.51	424.71	2.97	-69.54
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C(C)(C)[NH+](C)C	REAL300025319962	0	57	0.0	-77.52	427.60	3.49	-74.03
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1([NH+](C)C)CC1	REAL300025319984	0	55	0.0	-77.63	423.29	3.55	-74.08
CC(C[NH+](C)C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025320006	0	57	0.0	-75.19	442.63	3.34	-71.85
CC1CC[N@@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025320015	1	55	0.0	-72.03	429.93	2.87	-69.16
CC1CC[N@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025320015	1	55	0.0	-73.04	431.46	3.41	-69.63
CC1CN(C(=O)C2CCC[N@@H+]2C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320124	0	55	0.0	-69.82	425.92	2.79	-67.03
CC1CN(C(=O)C2CCC[N@H+]2C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320124	1	55	0.0	-68.92	421.93	2.99	-65.93
CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025320195	0	57	0.0	-69.06	428.36	3.14	-65.92
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025320199	0	57	0.0	-72.74	443.38	3.38	-69.36
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025320199	1	57	0.0	-72.74	443.34	3.35	-69.39
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025320216	0	57	0.0	-74.48	440.25	3.48	-71.00
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025320216	1	57	0.0	-74.38	440.26	3.50	-70.88
CC[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025320256	0	57	0.0	-68.87	430.95	2.82	-66.05
CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320302	0	55	0.0	-69.59	426.85	2.81	-66.78
CC1CN(C(=O)[C@H]2CCC[N@H+]2C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320302	1	55	0.0	-71.93	418.69	2.77	-69.16
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025320356	0	54	0.0	-70.56	420.26	2.33	-68.23
CC1C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025320380	1	55	0.0	-72.90	431.43	3.31	-69.59
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025320398	0	54	0.0	-72.36	421.88	2.63	-69.73
CC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025320398	1	54	0.0	-72.37	421.84	2.61	-69.76
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025320428	0	57	0.0	-75.70	437.81	3.33	-72.37
CC1CN(C(=O)C2([NH+](C)C)CC2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320431	0	55	0.0	-74.84	422.22	2.72	-72.12
C[C@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025320435	0	54	0.0	-70.42	416.13	2.56	-67.86
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025320438	1	55	0.0	-72.07	431.28	3.16	-68.91
CC[N@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025320438	1	55	0.0	-72.07	435.25	2.88	-69.19
CC1CN(C(=O)C(C)(C)[NH+](C)C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320446	0	57	0.0	-74.22	419.72	2.67	-71.55
CC1CN(C(=O)CN=[N+]=[N-])CCC1CNC(=O)CSC1=NC(=O)NN1	REAL300025320492	0	45	0.0	-25.50	377.11	-2.18	-27.68
CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320505	0	55	0.0	-71.81	418.59	2.76	-69.05
CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320505	1	55	0.0	-69.05	425.99	2.73	-66.32
CC1CN(C(=O)C[N@H+](C)C2CC2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320542	0	55	0.0	-70.48	429.56	3.63	-66.85
CC1CN(C(=O)C[N@@H+](C)C2CC2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320542	1	55	0.0	-69.83	429.41	3.63	-66.20
CC1CN(C(=O)CC2C[NH+](C)C2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320570	0	55	0.0	-73.50	431.43	3.10	-70.40
CC1CN(C(=O)C[NH+](C)C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320573	0	51	0.0	-73.23	400.14	2.23	-71.00
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025320576	0	54	0.0	-70.56	420.26	2.33	-68.23
CC1CC[N@@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025320583	1	55	0.0	-70.53	429.88	2.78	-67.75
CC1CC[N@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025320583	1	55	0.0	-70.57	429.92	2.77	-67.80
CC1CN(C(=O)C=CC[NH+](C)C)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320584	0	55	0.0	-76.82	436.29	3.50	-73.32
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025320590	0	57	0.0	-71.03	436.18	3.58	-67.45
CC1CN(C(=O)C[NH+]2CCC2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320591	1	52	0.0	-72.80	414.50	2.42	-70.38
CC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+]1CCC1	REAL300025320613	1	55	0.0	-70.21	418.97	2.77	-67.44
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025320681	0	55	0.0	-72.37	424.15	2.60	-69.77
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300025320681	1	55	0.0	-70.90	426.19	3.36	-67.54
C[NH+](C)CC(=O)NCC1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CO1	REAL300025320801	0	50	0.0	-74.24	415.68	-0.06	-74.30
C[C@@H](C(=O)NCC1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CO1)[NH+](C)C	REAL300025320806	0	53	0.0	-73.20	433.77	0.34	-72.86
[N-]=[N+]=NCC(=O)NCC1CC2(CN(C(=O)CSC3=NC(=O)NN3)C2)CO1	REAL300025320809	0	44	0.0	-26.61	392.63	-4.50	-31.11
C[C@@H](C(=O)NCC1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CO1)[NH+](C)C	REAL300025320819	0	53	0.0	-73.20	433.77	0.34	-72.86
C[C@H](C(=O)NCC1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CO1)[NH+](C)C	REAL300025320832	0	53	0.0	-71.78	433.59	0.41	-71.37
CC[N@H+](C)CC(=O)NCC1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CO1	REAL300025320844	0	53	0.0	-72.08	433.18	0.67	-71.41
CC[N@@H+](C)CC(=O)NCC1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CO1	REAL300025320844	1	53	0.0	-72.01	433.19	0.67	-71.34
C[C@@H](C(=O)N1CC2(C1)COC(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025320981	0	53	0.0	-68.90	432.89	0.34	-68.56
CC[N@H+](C)CC(=O)N1CC2(C1)COC(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025321000	0	53	0.0	-76.60	433.40	0.58	-76.02
CC[N@@H+](C)CC(=O)N1CC2(C1)COC(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025321000	1	53	0.0	-74.73	433.29	0.65	-74.08
C[C@H](C(=O)N1CC2(C1)COC(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025321013	0	53	0.0	-69.44	433.68	0.36	-69.08
[N-]=[N+]=NCC(=O)N1CC2(C1)COC(CNC(=O)CSC1=NC(=O)NN1)C2	REAL300025321037	0	44	0.0	-27.75	392.63	-4.51	-32.26
C[NH+](C)CC(=O)N1CC2(C1)COC(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025321064	0	50	0.0	-72.47	415.16	-0.14	-72.61
C[C@@H](C(=O)N1CC2(C1)COC(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025321067	0	53	0.0	-68.90	432.89	0.34	-68.56
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2(CN(C(=O)C[NH+]3CCC3)C2)CO1	REAL300025321074	1	51	0.0	-72.49	425.75	0.38	-72.11
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCCC2	REAL300025321232	0	52	0.0	-73.76	408.02	3.12	-70.64
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCCC2)[NH+](C)C	REAL300025321237	0	55	0.0	-75.21	419.16	3.51	-71.70
[N-]=[N+]=NCC(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)C12CCCC2	REAL300025321240	0	46	0.0	-21.71	385.05	-1.29	-23.00
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCCC2)[NH+](C)C	REAL300025321247	0	55	0.0	-75.21	419.16	3.51	-71.70
C[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCCC2)[NH+](C)C	REAL300025321259	0	55	0.0	-71.24	426.16	3.54	-67.70
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCCC2	REAL300025321268	0	55	0.0	-72.20	422.03	3.80	-68.40
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCCC2	REAL300025321268	1	55	0.0	-73.02	425.75	3.80	-69.22
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCC2)[NH+](C)C	REAL300025321398	0	55	0.0	-73.42	420.92	3.48	-69.94
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCC2	REAL300025321416	0	55	0.0	-70.85	422.03	3.78	-67.07
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCC2	REAL300025321416	1	55	0.0	-70.84	422.03	3.79	-67.05
C[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCC2)[NH+](C)C	REAL300025321425	0	55	0.0	-68.81	420.46	3.40	-65.41
[N-]=[N+]=NCC(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)C12CCCC2	REAL300025321447	0	46	0.0	-25.06	381.21	-1.28	-26.34
C[NH+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCC2	REAL300025321472	0	52	0.0	-71.47	404.30	3.09	-68.38
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCC2)[NH+](C)C	REAL300025321475	0	55	0.0	-73.42	420.92	3.48	-69.94
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC2)C12CCCC2	REAL300025321481	1	53	0.0	-70.89	414.60	3.54	-67.35
C[NH+](C)CC(=O)NC1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025321606	0	52	0.0	-68.57	412.36	2.83	-65.74
C[C@@H](C(=O)NC1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025321611	0	55	0.0	-67.59	424.82	3.41	-64.18
[N-]=[N+]=NCC(=O)NC1CCCC12CCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025321614	0	46	0.0	-22.06	389.33	-1.56	-23.62
C[C@@H](C(=O)NC1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025321621	0	55	0.0	-67.59	424.82	3.41	-64.18
C[C@H](C(=O)NC1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025321633	0	55	0.0	-73.77	430.43	3.29	-70.48
CC[N@H+](C)CC(=O)NC1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025321642	0	55	0.0	-67.73	430.09	3.51	-64.22
CC[N@@H+](C)CC(=O)NC1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025321642	1	55	0.0	-67.54	429.90	3.50	-64.04
C[C@@H](C(=O)N1CCC2(CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025321780	0	55	0.0	-56.51	427.29	3.29	-53.22
CC[N@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025321799	0	55	0.0	-72.82	430.02	3.50	-69.32
CC[N@@H+](C)CC(=O)N1CCC2(CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025321799	1	55	0.0	-72.79	430.02	3.50	-69.29
C[C@H](C(=O)N1CCC2(CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025321812	0	55	0.0	-53.04	426.05	3.44	-49.60
[N-]=[N+]=NCC(=O)N1CCC2(CCCC2NC(=O)CSC2=NC(=O)NN2)C1	REAL300025321837	0	46	0.0	-25.27	386.39	-1.37	-26.64
C[NH+](C)CC(=O)N1CCC2(CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025321868	0	52	0.0	-73.38	410.43	2.76	-70.62
C[C@@H](C(=O)N1CCC2(CCCC2NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025321871	0	55	0.0	-56.51	427.29	3.29	-53.22
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC12CCN(C(=O)C[NH+]1CCC1)C2	REAL300025321878	1	53	0.0	-56.73	418.79	3.60	-53.13
C[N@@H+]1CCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322014	0	55	0.0	-63.30	410.64	3.19	-60.11
C[N@H+]1CCCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322014	1	55	0.0	-65.32	410.36	3.19	-62.13
CCC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025322114	0	57	0.0	-61.56	420.09	3.67	-57.89
CCC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322119	0	57	0.0	-66.61	429.35	4.01	-62.60
CCC[N@@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322119	1	57	0.0	-66.45	429.36	4.01	-62.44
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322127	0	55	0.0	-70.44	410.23	3.19	-67.25
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322127	1	55	0.0	-64.24	415.22	3.67	-60.57
CC[NH+](CC)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322132	0	57	0.0	-65.25	422.17	3.70	-61.55
CC[N@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322188	0	57	0.0	-69.90	430.22	3.81	-66.09
CC[N@@H+](C)CCC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322188	1	57	0.0	-69.61	430.77	3.87	-65.74
CC[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025322191	0	57	0.0	-62.05	420.36	3.62	-58.43
C[NH+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322209	0	51	0.0	-66.48	390.68	2.65	-63.83
CC(C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+]1CCC1	REAL300025322213	1	55	0.0	-65.05	418.81	3.75	-61.30
C[N@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CC1	REAL300025322219	0	55	0.0	-63.66	419.93	4.05	-59.61
C[N@@H+](CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CC1	REAL300025322219	1	55	0.0	-64.22	420.10	4.06	-60.16
C[NH+]1CC(CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025322225	0	55	0.0	-69.63	421.48	3.44	-66.19
C[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025322232	0	54	0.0	-66.99	408.80	3.07	-63.92
[N-]=[N+]=NCC(=O)NC1CCCN(C(=O)CSC2=NC(=O)NN2)CCC1	REAL300025322235	0	45	0.0	-25.03	367.62	-1.77	-26.80
C[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025322253	0	54	0.0	-66.99	408.80	3.07	-63.92
O=C(C[NH+]1CCC1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322271	1	52	0.0	-67.14	400.98	3.13	-64.01
C[C@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025322282	0	54	0.0	-64.44	408.64	3.05	-61.39
CC1C[NH+](CC(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025322288	1	55	0.0	-66.85	421.93	3.74	-63.11
CC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322305	0	54	0.0	-66.35	407.86	3.27	-63.08
CC[N@@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322305	1	54	0.0	-66.29	407.86	3.27	-63.02
C[NH+](C)CC=CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322321	0	55	0.0	-75.27	426.64	3.87	-71.40
CC[N@@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322327	1	55	0.0	-68.03	421.92	3.62	-64.41
CC[N@H+]1CCC1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322327	1	55	0.0	-66.88	422.32	3.67	-63.21
C[NH+](C)C(C)(C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322340	0	57	0.0	-76.01	417.32	3.78	-72.23
C[NH+](C)C1(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025322362	0	55	0.0	-71.38	419.40	3.88	-67.50
CC(C[NH+](C)C)C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322384	0	57	0.0	-70.39	429.08	3.92	-66.47
CC1CC[N@@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322393	1	55	0.0	-66.03	422.02	3.75	-62.28
CC1CC[N@H+]1CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322393	1	55	0.0	-64.67	416.46	3.46	-61.21
C[N@@H+]1CCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322502	0	55	0.0	-64.56	405.07	2.83	-61.73
C[N@H+]1CCCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322502	1	55	0.0	-65.10	406.07	2.87	-62.23
CCC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025322573	0	57	0.0	-59.88	406.49	3.17	-56.71
CCC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322577	0	57	0.0	-67.80	430.12	3.94	-63.86
CCC[N@@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322577	1	57	0.0	-59.35	429.42	3.95	-55.40
CC[N@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322594	0	57	0.0	-61.36	430.29	3.81	-57.55
CC[N@@H+](C)CCC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322594	1	57	0.0	-60.99	430.29	3.82	-57.17
CC[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025322634	0	57	0.0	-54.57	413.80	3.38	-51.19
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322680	0	55	0.0	-63.40	408.20	3.04	-60.36
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322680	1	55	0.0	-58.01	396.21	3.04	-54.97
C[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025322734	0	54	0.0	-68.01	400.07	2.63	-65.38
CC1C[NH+](CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025322758	1	55	0.0	-59.17	421.18	3.60	-55.57
CC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322776	0	54	0.0	-67.44	408.62	3.19	-64.25
CC[N@@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322776	1	54	0.0	-58.91	407.93	3.19	-55.72
CC(C[NH+](C)C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322806	0	57	0.0	-69.85	428.38	3.64	-66.21
C[NH+](C)C1(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CC1	REAL300025322809	0	55	0.0	-68.08	401.09	2.84	-65.24
C[C@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025322813	0	54	0.0	-61.05	399.13	2.71	-58.34
CC[N@@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322816	1	55	0.0	-69.11	420.64	3.37	-65.74
CC[N@H+]1CCC1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322816	1	55	0.0	-57.91	409.53	3.10	-54.81
C[NH+](C)C(C)(C)C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322824	0	57	0.0	-66.61	398.24	2.80	-63.81
[N-]=[N+]=NCC(=O)N1CCCC(NC(=O)CSC2=NC(=O)NN2)CCC1	REAL300025322870	0	45	0.0	-26.60	367.64	-1.85	-28.45
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322883	0	55	0.0	-64.44	415.20	3.44	-61.00
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322883	1	55	0.0	-64.71	405.21	2.85	-61.86
C[N@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CC1	REAL300025322920	0	55	0.0	-56.21	419.46	3.93	-52.28
C[N@@H+](CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)C1CC1	REAL300025322920	1	55	0.0	-57.83	419.59	3.95	-53.88
C[NH+]1CC(CC(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C1	REAL300025322948	0	55	0.0	-66.92	421.88	3.43	-63.49
C[NH+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322951	0	51	0.0	-67.87	390.89	2.54	-65.33
C[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+](C)C	REAL300025322954	0	54	0.0	-68.01	400.07	2.63	-65.38
CC1CC[N@@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322961	1	55	0.0	-57.84	416.57	3.39	-54.45
CC1CC[N@H+]1CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322961	1	55	0.0	-66.07	416.17	3.37	-62.70
C[NH+](C)CC=CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322962	0	55	0.0	-75.71	425.39	3.68	-72.03
CC[NH+](CC)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025322968	0	57	0.0	-58.77	419.10	3.48	-55.29
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C[NH+]2CCC2)CCC1	REAL300025322969	1	52	0.0	-67.64	400.89	3.02	-64.62
CC(C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CCC1)[NH+]1CCC1	REAL300025322991	1	55	0.0	-64.24	407.21	2.95	-61.29
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025323059	0	55	0.0	-63.63	415.94	3.63	-60.00
C[N@H+]1CCC[C@H]1C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025323059	1	55	0.0	-65.07	410.30	3.21	-61.86
C[C@@H](NC(=O)C1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323241	0	49	0.0	-72.28	398.75	1.27	-71.01
C[C@@H](NC(=O)C1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323241	1	49	0.0	-73.15	398.52	1.26	-71.89
C[C@@H](NC(=O)C1C[N@H+](C)CCO1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323265	1	50	0.0	-83.85	416.12	1.18	-82.67
C[C@@H](NC(=O)C1C[N@@H+](C)CCO1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323265	1	50	0.0	-82.71	417.08	1.29	-81.42
CC(C)[N@@H+]1CCCC1C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323409	0	55	0.0	-71.34	425.79	2.76	-68.58
CC(C)[N@H+]1CCCC1C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323409	1	55	0.0	-70.54	430.95	2.93	-67.61
CC1=[NH+]C=CN1CC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323432	1	47	0.0	-70.20	408.03	2.22	-67.98
C[C@@H](NC(=O)C1C[NH+]2CCC1CC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323452	0	53	0.0	-77.10	420.95	2.62	-74.48
C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323480	0	52	0.0	-75.57	415.24	1.70	-73.87
C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323480	1	52	0.0	-72.72	420.72	2.10	-70.62
CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025323482	0	55	0.0	-73.44	437.06	2.45	-70.99
CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025323482	1	55	0.0	-71.61	439.13	2.98	-68.63
CC[N@@H+]1CCOC(C(=O)N[C@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025323487	1	53	0.0	-75.23	426.57	1.64	-73.59
CC[N@H+]1CCOC(C(=O)N[C@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025323487	1	53	0.0	-76.75	426.67	1.53	-75.22
C[C@@H](NC(=O)C[NH+]1C(C)CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323532	0	55	0.0	-70.01	436.43	2.77	-67.24
C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323534	0	55	0.0	-73.54	448.32	3.25	-70.29
C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323537	0	55	0.0	-74.16	442.05	3.10	-71.06
CC[N@@H+]1CCCCC1C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323540	0	55	0.0	-70.00	428.82	2.78	-67.22
CC[N@H+]1CCCCC1C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323540	1	55	0.0	-69.65	438.29	2.94	-66.71
C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323550	0	52	0.0	-69.09	412.58	2.21	-66.88
CC(C)[C@@H](C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025323556	0	54	0.0	-70.91	426.30	2.40	-68.51
C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323574	0	52	0.0	-71.66	424.75	2.60	-69.06
C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323574	1	52	0.0	-71.82	424.97	2.70	-69.12
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323628	1	51	0.0	-70.83	426.61	2.53	-68.30
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323628	1	51	0.0	-71.53	424.90	2.76	-68.77
C[C@@H](NC(=O)CCC1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323633	0	55	0.0	-72.28	440.43	2.72	-69.56
C[C@@H](NC(=O)CCC1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323633	1	55	0.0	-75.03	445.88	3.20	-71.83
C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323649	0	52	0.0	-77.27	424.28	2.49	-74.78
C[C@@H](NC(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323676	0	52	0.0	-70.61	420.54	2.21	-68.40
C[C@@H](NC(=O)C1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323676	1	52	0.0	-71.05	412.67	2.16	-68.89
C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323729	1	53	0.0	-77.25	434.02	0.71	-76.54
CC1=C[NH+]=CN1CC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323741	1	47	0.0	-72.46	408.26	3.05	-69.41
C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323757	0	53	0.0	-74.61	423.27	2.71	-71.90
C[C@@H](NC(=O)CC1CC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323762	0	52	0.0	-74.15	424.92	2.34	-71.81
C[C@@H](NC(=O)CC1CC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323762	1	52	0.0	-74.95	419.32	2.02	-72.93
CCC(C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025323768	0	51	0.0	-71.24	412.27	2.34	-68.90
C[C@@H](NC(=O)CCCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323815	0	54	0.0	-75.04	443.85	2.84	-72.20
CC(C)C(C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025323826	0	54	0.0	-70.91	426.29	2.41	-68.50
CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323827	0	54	0.0	-75.31	440.09	2.66	-72.65
CCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323827	1	54	0.0	-75.25	440.08	2.67	-72.58
CCC[N@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323830	0	51	0.0	-73.55	417.83	2.02	-71.53
CCC[N@@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323830	1	51	0.0	-73.69	417.72	2.13	-71.56
C[C@@H](NC(=O)C12CC[N@H+](C1)CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323843	0	53	0.0	-73.94	420.22	1.94	-72.00
C[C@@H](NC(=O)C12CC[N@@H+](C1)CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323843	1	53	0.0	-73.55	421.65	1.94	-71.61
C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323865	0	49	0.0	-70.36	403.73	1.67	-68.69
C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323865	1	49	0.0	-73.09	398.44	1.27	-71.82
CC[NH+](CC)CC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323892	0	51	0.0	-72.01	414.59	2.08	-69.93
C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323945	0	55	0.0	-74.12	441.45	3.20	-70.92
C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323963	0	52	0.0	-75.56	424.26	2.27	-73.29
C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324009	0	52	0.0	-77.27	424.28	2.49	-74.78
CC(C)[C@H](C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025324024	0	54	0.0	-71.89	427.96	2.91	-68.98
CCC(C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025324051	0	57	0.0	-67.51	444.76	3.07	-64.44
CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324081	0	51	0.0	-74.57	418.59	1.92	-72.65
CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324081	1	51	0.0	-74.58	418.59	1.91	-72.67
C[C@@H](NC(=O)C[N@@H+]1CCCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324104	0	52	0.0	-70.93	423.84	2.50	-68.43
C[C@@H](NC(=O)C[N@H+]1CCCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324104	1	52	0.0	-70.01	418.69	2.14	-67.87
C[C@@H](NC(=O)C[N@@H+]1CCC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324105	0	52	0.0	-72.90	423.82	2.40	-70.50
C[C@@H](NC(=O)C[N@H+]1CCC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324105	1	52	0.0	-72.32	426.27	2.41	-69.91
C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324107	0	55	0.0	-73.11	444.03	2.96	-70.15
C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324107	1	55	0.0	-73.18	444.18	2.96	-70.22
C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324108	0	57	0.0	-73.17	448.38	3.15	-70.02
C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324108	1	57	0.0	-73.37	448.23	3.09	-70.28
CC[C@@H](C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025324115	0	51	0.0	-70.41	409.13	1.72	-68.69
C[C@@H](NC(=O)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324187	0	45	0.0	-73.94	378.48	0.72	-73.22
C[C@@H](NC(=O)C[NH+]1CCCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324190	0	55	0.0	-73.24	429.71	2.68	-70.56
C[C@@H](NC(=O)C[N+]1=CN(C)C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324193	0	47	0.0	-71.58	409.98	4.23	-67.35
C[C@@H](NC(=O)C1CCC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324197	0	52	0.0	-67.28	416.84	2.55	-64.73
C[C@@H](NC(=O)C1CCC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324197	1	52	0.0	-73.63	423.32	2.35	-71.28
C[C@@H](NC(=O)C1CCC[N@@H+]1C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324202	0	53	0.0	-71.13	431.95	2.80	-68.33
C[C@@H](NC(=O)C1CCC[N@H+]1C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324202	1	53	0.0	-68.35	431.11	3.08	-65.27
CC(C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025324214	1	49	0.0	-72.00	408.50	1.63	-70.37
CCC(CC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025324218	0	57	0.0	-74.91	450.00	3.19	-71.72
C[C@@H](NC(=O)C(C)(C)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324223	0	54	0.0	-73.20	425.69	2.39	-70.81
C[C@@H](NC(=O)C[NH+]1CCC(O)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324234	1	53	0.0	-77.58	431.70	-0.76	-78.34
C[C@@H](NC(=O)C[N@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324235	0	49	0.0	-71.33	407.90	2.12	-69.21
C[C@@H](NC(=O)C[N@@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324235	1	49	0.0	-71.45	407.90	2.12	-69.33
C[C@@H](NC(=O)CC1C[NH+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324249	0	49	0.0	-73.57	410.20	1.53	-72.04
C[C@@H](NC(=O)C1CC[N@@H+]1C(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324259	0	55	0.0	-70.61	424.56	1.84	-68.77
C[C@@H](NC(=O)C1CC[N@H+]1C(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324259	1	55	0.0	-71.38	416.43	2.06	-69.32
C[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324269	0	48	0.0	-71.75	396.39	1.12	-70.63
C[C@@H](NC(=O)CN=[N+]=[N-])C1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025324276	0	39	0.0	-25.17	355.56	-3.79	-28.96
C[C@@H](NC(=O)CN1C=CSC1=[NH2+])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324318	0	45	0.0	-70.24	405.57	0.89	-69.35
C[C@@H](NC(=O)CC[N@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324323	0	52	0.0	-74.67	428.95	-1.30	-75.97
C[C@@H](NC(=O)CC[N@@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324323	1	52	0.0	-73.94	428.89	-1.31	-75.25
C[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324324	0	48	0.0	-71.75	396.39	1.12	-70.63
C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324327	0	52	0.0	-70.85	420.71	2.33	-68.52
C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324327	1	52	0.0	-71.15	411.29	2.05	-69.10
C[C@@H](NC(=O)C[NH+]1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324372	1	46	0.0	-73.69	388.59	1.13	-72.56
C[C@@H](NC(=O)C=C1CC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324386	0	50	0.0	-76.03	417.34	2.26	-73.77
C[C@@H](NC(=O)C=C1CC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324386	1	50	0.0	-75.75	417.34	2.26	-73.49
C[C@@H](NC(=O)COCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324406	0	52	0.0	-73.58	434.36	1.77	-71.81
C=CCC(C)(C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025324417	0	55	0.0	-77.98	433.23	2.96	-75.02
C[C@@H](NC(=O)C1(C)CC(O)C[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324434	0	53	0.0	-78.39	426.07	-1.02	-79.41
C[C@@H](NC(=O)CN1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324451	0	49	0.0	-73.69	410.09	1.92	-71.77
C[C@@H](NC(=O)C[NH+]1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324451	1	49	0.0	-73.69	410.09	1.92	-71.77
C[C@@H](NC(=O)CN(C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324468	0	49	0.0	-73.76	406.69	-1.96	-75.72
C[C@@H](NC(=O)C[N@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324468	1	49	0.0	-74.00	406.36	-1.87	-75.87
C[C@@H](NC(=O)C[N@@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324468	1	49	0.0	-74.00	406.36	-1.87	-75.87
CC[N@@H+]1CCCC(C(=O)N[C@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025324487	0	55	0.0	-66.86	434.73	3.21	-63.65
CC[N@H+]1CCCC(C(=O)N[C@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025324487	1	55	0.0	-66.86	434.73	3.21	-63.65
CC(CC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025324489	0	54	0.0	-74.61	435.50	2.73	-71.88
CC[N@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324492	0	48	0.0	-73.08	396.33	1.27	-71.81
CC[N@H+](CC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025324516	0	52	0.0	-70.83	424.54	2.73	-68.10
CC[NH+](CC)CCC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324524	0	54	0.0	-74.01	432.08	2.34	-71.67
C[C@@H](NC(=O)CN1CC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324538	0	52	0.0	-73.79	429.15	2.29	-71.50
C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324538	1	52	0.0	-73.79	429.15	2.29	-71.50
C[C@@H](NC(=O)C[N@@H+]1CCC(C)(O)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324554	0	53	0.0	-72.77	434.50	-0.87	-73.64
C[C@@H](NC(=O)C=CC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324557	0	49	0.0	-76.53	415.71	1.98	-74.55
COCCN(C)CC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324570	0	52	0.0	-73.68	428.72	0.43	-73.25
COCC[N@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324570	1	52	0.0	-74.12	428.83	0.55	-73.57
COCC[N@@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324570	1	52	0.0	-74.12	428.83	0.55	-73.57
C[C@@H](NC(=O)C1([NH+](C)C)CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324587	0	55	0.0	-75.15	430.66	3.28	-71.87
CC(CCC(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025324589	0	54	0.0	-72.96	435.84	2.46	-70.50
CCN1CCC1C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324595	0	49	0.0	-72.61	410.13	1.68	-70.93
CC[N@@H+]1CCC1C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324595	1	49	0.0	-72.67	410.39	1.69	-70.98
CC[N@H+]1CCC1C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324595	1	49	0.0	-72.67	410.39	1.69	-70.98
C[C@@H](NC(=O)C[N@@H+]1CCCC1CO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324605	0	53	0.0	-72.33	432.63	-0.82	-73.15
C[C@@H](NC(=O)C1(C)CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324621	0	55	0.0	-70.85	435.76	2.78	-68.07
C=CCC(C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025324637	0	52	0.0	-71.98	422.20	2.22	-69.76
C[C@@H](NC(=O)C1CC(C)(C)C[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324644	0	55	0.0	-69.33	444.36	2.74	-66.59
C[C@@H](NC(=O)CCCCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324646	0	57	0.0	-74.54	465.35	3.63	-70.91
CCCC(C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025324663	0	54	0.0	-71.85	433.77	3.08	-68.77
C[C@@H](NC(=O)C(C)(C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324666	0	51	0.0	-76.05	405.65	1.89	-74.16
C[C@@H](NC(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324689	0	52	0.0	-71.05	412.67	2.16	-68.89
C[C@@H](NC(=O)CC1=CC[N@H+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324708	0	53	0.0	-70.88	437.90	3.03	-67.85
C[C@@H](NC(=O)CC1=CC[N@@H+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324708	1	53	0.0	-70.88	437.90	3.03	-67.85
C[C@@H](NC(=O)C=CC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324738	0	53	0.0	-75.96	442.02	3.25	-72.71
C[C@@H](NC(=O)CC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324765	0	52	0.0	-74.64	426.09	2.38	-72.26
C[C@@H](NC(=O)C12CC(C1)C[N@@H+]2C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324790	0	50	0.0	-75.91	409.38	1.95	-73.96
C[C@@H](NC(=O)C[N@@H+]1CC2CCC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324795	0	53	0.0	-70.82	422.54	2.63	-68.19
C[C@@H](NC(=O)C[N@H+]1CC2CCC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324795	1	53	0.0	-70.82	422.54	2.63	-68.19
C[C@@H](NC(=O)CN1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324830	0	51	0.0	-71.86	418.47	2.71	-69.15
C[C@@H](NC(=O)C[N@@H+]1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324830	1	51	0.0	-71.69	417.86	2.60	-69.09
C[C@@H](NC(=O)C[N@H+]1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324830	1	51	0.0	-71.69	417.86	2.60	-69.09
CC(C[NH+](C)C)C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324860	0	51	0.0	-74.02	416.94	1.99	-72.03
C[C@@H](NC(=O)CC1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324899	0	55	0.0	-75.42	438.01	2.92	-72.50
C[C@@H](NC(=O)CC1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324899	1	55	0.0	-75.42	438.01	2.92	-72.50
CC(C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300025324908	0	52	0.0	-70.83	427.70	2.41	-68.42
CC(C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025324908	1	52	0.0	-70.83	427.70	2.41	-68.42
C[C@@H](NC(=O)CN1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324910	0	49	0.0	-72.29	410.09	1.80	-70.49
C[C@@H](NC(=O)C[N@@H+]1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324910	1	49	0.0	-72.32	409.94	1.70	-70.62
C[C@@H](NC(=O)C[N@H+]1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324910	1	49	0.0	-72.32	409.94	1.70	-70.62
C[C@@H](NC(=O)CC(O)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324912	0	52	0.0	-77.57	431.08	-0.27	-77.84
C[C@@H](NC(=O)C1CN(C)CC(C)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324929	0	53	0.0	-83.73	430.07	1.48	-82.25
C[C@@H](NC(=O)C1C[N@H+](C)CC(C)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324929	1	53	0.0	-81.77	430.33	1.88	-79.89
C[C@@H](NC(=O)C1C[N@@H+](C)CC(C)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324929	1	53	0.0	-81.77	430.33	1.88	-79.89
C[C@@H](NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324967	0	52	0.0	-74.23	429.56	2.49	-71.74
CC(CC[NH+](C)C)C(=O)N[C@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324971	0	54	0.0	-73.90	438.51	2.62	-71.28
C[C@@H](NC(=O)CN1CCN(C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324981	0	54	0.0	-72.85	438.16	0.24	-72.61
C[C@@H](NC(=O)CN1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324981	1	54	0.0	-72.85	438.16	0.24	-72.61
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300025325151	0	49	0.0	-71.19	405.48	1.75	-69.44
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+]2C)C1	REAL300025325151	1	49	0.0	-68.51	397.89	1.18	-67.33
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300025325177	1	50	0.0	-76.09	404.26	0.82	-75.27
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300025325177	1	50	0.0	-80.16	406.09	0.89	-79.27
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300025325325	1	53	0.0	-74.82	434.02	0.72	-74.10
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300025325333	0	53	0.0	-66.41	419.44	2.16	-64.25
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300025325356	0	52	0.0	-73.40	424.81	2.29	-71.11
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300025325356	1	52	0.0	-74.15	425.29	2.29	-71.86
CCC(C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025325362	0	51	0.0	-68.56	409.85	1.76	-66.80
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCCC[NH+](C)C)C1	REAL300025325394	0	54	0.0	-73.95	444.12	2.84	-71.11
CC(C)C(C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025325407	0	54	0.0	-68.30	423.14	2.35	-65.95
CCC[N@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025325408	0	54	0.0	-72.95	440.34	2.67	-70.28
CCC[N@@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025325408	1	54	0.0	-72.86	440.35	2.66	-70.20
CCC[N@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025325411	0	51	0.0	-70.22	417.98	2.11	-68.11
CCC[N@@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025325411	1	51	0.0	-70.23	417.98	2.11	-68.12
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025325424	0	53	0.0	-72.06	415.54	1.62	-70.44
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025325424	1	53	0.0	-72.75	415.04	1.61	-71.14
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300025325449	0	55	0.0	-70.10	441.18	3.08	-67.02
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300025325486	0	52	0.0	-74.22	429.31	2.43	-71.79
CC[N@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025325503	0	51	0.0	-72.23	418.85	1.91	-70.32
CC[N@@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025325503	1	51	0.0	-72.22	418.85	1.92	-70.30
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300025325515	0	53	0.0	-74.47	418.66	2.32	-72.15
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025325553	0	52	0.0	-78.89	412.56	1.90	-76.99
CC(C)[C@H](C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025325568	0	54	0.0	-68.57	424.43	2.49	-66.08
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300025325631	0	52	0.0	-69.48	406.20	1.81	-67.67
CCC(C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025325658	0	57	0.0	-64.24	443.03	2.84	-61.40
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300025325667	0	52	0.0	-66.93	417.16	2.04	-64.89
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300025325667	1	52	0.0	-66.97	417.41	2.05	-64.92
CC(C)[N@@H+]1CCCC1C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025325694	0	55	0.0	-66.88	429.68	2.96	-63.92
CC(C)[N@H+]1CCCC1C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025325694	1	55	0.0	-68.43	430.06	2.43	-66.00
CC(C)[C@@H](C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025325701	0	54	0.0	-70.20	423.14	2.29	-67.91
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300025325711	0	52	0.0	-69.07	424.09	2.36	-66.71
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300025325711	1	52	0.0	-69.36	424.70	2.34	-67.02
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300025325713	0	55	0.0	-69.40	443.92	2.82	-66.58
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300025325713	1	55	0.0	-73.06	445.24	2.96	-70.10
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300025325714	0	57	0.0	-69.77	448.53	3.24	-66.53
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300025325714	1	57	0.0	-70.04	446.46	3.00	-67.04
CC[C@@H](C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025325721	0	51	0.0	-68.17	408.92	1.60	-66.57
CC1=[NH+]C=CN1CC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025325801	1	47	0.0	-67.63	408.15	2.29	-65.34
CC[N@@H+]1CCOC(C(=O)N2CC([C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025325844	1	53	0.0	-85.75	430.83	1.71	-84.04
CC[N@H+]1CCOC(C(=O)N2CC([C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025325844	1	53	0.0	-70.96	424.12	1.48	-69.48
CC1=C[NH+]=CN1CC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025325864	1	47	0.0	-70.82	408.51	3.03	-67.79
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300025325869	0	52	0.0	-74.90	414.79	1.63	-73.27
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300025325869	1	52	0.0	-72.37	420.41	2.29	-70.08
CC[C@@H]1[C@@H](C(=O)N2CC([C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025325871	0	55	0.0	-72.78	431.73	2.15	-70.63
CC[C@@H]1[C@@H](C(=O)N2CC([C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025325871	1	55	0.0	-70.87	436.34	2.69	-68.18
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300025325876	0	55	0.0	-66.00	435.48	2.55	-63.45
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300025325878	0	55	0.0	-71.98	448.58	3.23	-68.75
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300025325882	0	55	0.0	-71.57	442.49	3.13	-68.44
CC[N@@H+]1CCCCC1C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025325885	0	55	0.0	-66.49	437.80	2.80	-63.69
CC[N@H+]1CCCCC1C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025325885	1	55	0.0	-65.73	438.03	2.82	-62.91
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300025325965	0	52	0.0	-71.29	426.17	2.73	-68.56
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300025325965	1	52	0.0	-71.49	426.12	2.73	-68.76
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025325989	0	52	0.0	-78.89	412.56	1.90	-76.99
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300025326011	0	49	0.0	-67.44	400.10	1.56	-65.88
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300025326011	1	49	0.0	-73.61	398.68	1.27	-72.34
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025326028	1	51	0.0	-68.03	424.32	2.31	-65.72
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025326028	1	51	0.0	-67.88	429.85	2.90	-64.98
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300025326033	0	55	0.0	-71.29	440.70	2.73	-68.56
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300025326033	1	55	0.0	-73.72	445.88	3.18	-70.54
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025326096	0	52	0.0	-68.61	408.84	1.86	-66.75
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025326096	1	52	0.0	-69.11	421.42	2.38	-66.73
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300025326145	0	52	0.0	-70.83	416.76	1.69	-69.14
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300025326145	1	52	0.0	-71.28	418.66	1.73	-69.55
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1	REAL300025326195	0	55	0.0	-70.38	426.71	1.92	-68.46
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1	REAL300025326195	1	55	0.0	-71.84	412.54	1.55	-70.29
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025326208	0	48	0.0	-69.58	395.95	1.04	-68.54
C=CCC(C)(C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025326220	0	55	0.0	-67.68	428.49	2.44	-65.24
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025326232	0	52	0.0	-71.60	426.83	2.42	-69.18
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)CCO)C1	REAL300025326240	1	49	0.0	-74.30	400.61	-2.11	-76.41
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)CCO)C1	REAL300025326240	1	49	0.0	-70.43	406.63	-1.87	-72.30
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=CC[N@H+](C)CC2)C1	REAL300025326286	0	53	0.0	-73.67	431.66	2.79	-70.88
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=CC[N@@H+](C)CC2)C1	REAL300025326286	1	53	0.0	-72.04	438.85	3.14	-68.90
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300025326304	0	53	0.0	-76.94	420.81	-1.35	-78.29
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300025326304	1	53	0.0	-74.27	418.73	-1.47	-75.74
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC(C)C2)C1	REAL300025326330	1	49	0.0	-70.37	410.05	1.78	-68.59
CC[N@@H+]1CCCC(C(=O)N2CC([C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025326336	0	55	0.0	-75.98	441.02	2.85	-73.13
CC[N@H+]1CCCC(C(=O)N2CC([C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025326336	1	55	0.0	-70.22	438.11	2.75	-67.47
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025326347	0	53	0.0	-65.49	433.44	3.10	-62.39
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025326347	1	53	0.0	-67.03	428.46	2.42	-64.61
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300025326368	0	53	0.0	-74.26	439.03	2.88	-71.38
CC[N@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025326405	0	48	0.0	-69.89	396.48	1.35	-68.54
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CC3C=CC2C3)C1	REAL300025326434	0	51	0.0	-70.33	418.54	2.67	-67.66
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300025326434	1	51	0.0	-67.07	417.57	2.44	-64.63
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300025326434	1	51	0.0	-67.07	417.57	2.44	-64.63
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300025326478	0	52	0.0	-75.42	413.18	-1.01	-76.43
COCCN(C)CC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025326509	0	52	0.0	-70.11	428.88	0.53	-69.58
COCC[N@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025326509	1	52	0.0	-74.46	422.86	0.29	-74.17
COCC[N@@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025326509	1	52	0.0	-74.46	422.86	0.29	-74.17
CC(CCC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025326512	0	54	0.0	-73.40	431.98	2.35	-71.05
CC[N@H+](CC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025326525	0	52	0.0	-68.40	419.98	2.50	-65.90
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300025326550	0	50	0.0	-77.84	405.54	1.89	-75.95
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300025326557	0	53	0.0	-67.97	425.04	2.76	-65.21
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300025326557	1	53	0.0	-67.97	425.04	2.76	-65.21
CC(C[NH+](C)C)C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025326570	0	51	0.0	-67.42	418.82	1.84	-65.58
CC[N@@H+]1CCC1C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025326598	0	49	0.0	-69.52	410.13	1.70	-67.82
CCC(C)(C)[NH2+]C(C)C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025326604	0	57	0.0	-68.05	444.11	1.35	-66.70
CCCC(C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025326634	0	54	0.0	-69.04	431.77	2.47	-66.57
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300025326638	0	51	0.0	-72.27	399.82	1.71	-70.56
CC(CC[NH+](C)C)C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025326651	0	54	0.0	-74.82	440.89	2.47	-72.35
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1	REAL300025326699	0	55	0.0	-69.74	442.46	2.80	-66.94
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1	REAL300025326699	1	55	0.0	-69.74	442.46	2.80	-66.94
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCCCC[NH+](C)C)C1	REAL300025326701	0	57	0.0	-73.78	465.62	3.62	-70.16
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CCN(C)CC2)C1	REAL300025326708	0	54	0.0	-74.76	439.02	0.22	-74.54
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CC[NH+](C)CC2)C1	REAL300025326708	1	54	0.0	-74.76	439.02	0.22	-74.54
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CN(C)CC(C)O2)C1	REAL300025326749	0	53	0.0	-82.57	425.43	1.31	-81.26
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300025326749	1	53	0.0	-85.16	429.07	1.86	-83.30
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300025326749	1	53	0.0	-85.16	429.07	1.86	-83.30
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025326776	0	50	0.0	-73.64	415.75	2.60	-71.04
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025326793	0	52	0.0	-69.11	421.42	2.38	-66.73
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300025326851	0	50	0.0	-75.25	417.16	2.21	-73.04
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300025326851	1	50	0.0	-75.25	417.16	2.21	-73.04
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300025326853	0	48	0.0	-70.70	414.47	-0.04	-70.74
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CCCC2)C1	REAL300025326903	0	55	0.0	-73.15	420.74	2.27	-70.88
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300025326919	0	49	0.0	-67.94	403.89	1.66	-66.28
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300025326919	1	49	0.0	-67.94	403.89	1.66	-66.28
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300025326997	0	52	0.0	-71.64	428.26	2.32	-69.32
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(CC[NH+](C)C)CC2)C1	REAL300025327005	0	55	0.0	-77.48	454.70	3.30	-74.18
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC=CC[N@@H+]2C)C1	REAL300025327006	0	53	0.0	-66.85	425.94	2.80	-64.05
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC=CC[N@H+]2C)C1	REAL300025327006	1	53	0.0	-66.85	425.94	2.80	-64.05
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)COCC[NH+](C)C)C1	REAL300025327034	0	52	0.0	-71.55	434.62	1.80	-69.75
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300025327058	0	45	0.0	-67.54	405.82	0.87	-66.67
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCCCC2)C1	REAL300025327113	0	52	0.0	-69.37	420.23	2.55	-66.82
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300025327114	0	52	0.0	-71.94	420.48	2.08	-69.86
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300025327114	1	52	0.0	-65.33	414.47	2.27	-63.06
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300025327115	0	55	0.0	-69.15	429.46	2.72	-66.43
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300025327118	0	47	0.0	-69.01	409.72	4.20	-64.81
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300025327137	1	53	0.0	-74.05	431.32	-0.79	-74.84
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300025327138	1	49	0.0	-67.85	408.05	2.02	-65.83
CCOCC(N=[N+]=[N-])C(=O)N1CC([C@@H](C)NC(=O)CSC2=NC(=O)NN2)C1	REAL300025327153	0	49	0.0	-25.68	430.85	-3.15	-28.83
CC(CC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025327156	0	54	0.0	-73.06	435.77	2.71	-70.35
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2COCC[N@@H+]2C)C1	REAL300025327173	1	53	0.0	-76.31	429.26	0.41	-75.90
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2COCC[N@H+]2C)C1	REAL300025327173	1	53	0.0	-69.37	422.85	0.47	-68.90
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300025327234	0	53	0.0	-70.47	434.88	-1.02	-71.49
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300025327234	1	53	0.0	-69.43	434.60	-0.99	-70.42
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2C[NH+](C)C2)C1	REAL300025327255	0	49	0.0	-72.77	410.04	1.52	-71.25
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+](C)C)C1	REAL300025327264	0	45	0.0	-70.85	378.75	0.69	-70.16
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[N@H+](C)CCO)C1	REAL300025327278	0	52	0.0	-71.87	429.20	-1.29	-73.16
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[N@@H+](C)CCO)C1	REAL300025327278	1	52	0.0	-72.02	429.18	-1.32	-73.34
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025327279	0	48	0.0	-69.58	395.95	1.04	-68.54
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CCCC[N@@H+]2C)C1	REAL300025327293	0	55	0.0	-72.84	437.86	2.78	-70.06
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300025327293	1	55	0.0	-65.38	430.24	2.75	-62.63
CC(C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025327303	0	52	0.0	-71.03	430.77	2.26	-68.77
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300025327305	0	49	0.0	-69.01	409.94	1.71	-67.30
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC2C)C1	REAL300025327305	1	49	0.0	-68.75	409.91	1.74	-67.01
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=CC[NH+](C)C)C1	REAL300025327311	0	49	0.0	-75.78	414.22	1.87	-73.91
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300025327316	1	52	0.0	-70.08	428.87	2.26	-67.82
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300025327350	0	53	0.0	-66.70	424.52	-0.86	-67.56
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300025327350	1	53	0.0	-68.81	432.84	-0.84	-69.65
CC[NH+](CC)CC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327352	0	51	0.0	-68.58	410.34	1.76	-66.82
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC2)C1	REAL300025327361	1	46	0.0	-70.49	388.94	1.06	-69.43
CC[NH+](CC)CCC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327389	0	54	0.0	-71.20	436.58	2.51	-68.69
CC(C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025327439	0	49	0.0	-69.03	410.58	1.73	-67.30
CCC(CC(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025327444	0	57	0.0	-76.50	453.59	3.31	-73.19
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300025327449	0	54	0.0	-75.42	421.18	2.04	-73.38
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300025327478	0	52	0.0	-66.53	420.49	2.26	-64.27
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300025327478	1	52	0.0	-67.64	407.01	1.81	-65.83
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300025327497	0	52	0.0	-76.19	431.36	-0.24	-76.43
C=CCC(C(=O)N1CC([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025327517	0	52	0.0	-67.08	421.98	2.09	-64.99
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300025327528	0	55	0.0	-72.84	422.84	2.09	-70.75
C[C@@H](NC(=O)CSC(N)=[NH2+])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327549	0	43	0.0	-75.04	387.01	-2.41	-77.45
C[C@@H](NC(=O)C1(CC[NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327572	0	55	0.0	-75.75	448.19	3.02	-72.73
C[C@@H](NC(=O)CC1CC=CC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327573	0	53	0.0	-68.48	424.67	2.69	-65.79
C[C@@H](NC(=O)CC1CC=CC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327573	1	53	0.0	-76.38	430.00	2.78	-73.60
CCC1CN(CC(=O)N[C@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025327654	0	52	0.0	-74.68	430.82	2.55	-72.13
CCC1C[NH+](CC(=O)N[C@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025327654	1	52	0.0	-74.68	430.82	2.55	-72.13
C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327659	0	49	0.0	-70.30	405.08	1.80	-68.50
C[C@@H](NC(=O)C1CC[N@H+](C)C1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327681	0	52	0.0	-76.79	415.49	1.72	-75.07
C[C@@H](NC(=O)C1CC[N@@H+](C)C1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327681	1	52	0.0	-76.79	415.49	1.72	-75.07
C[C@@H](NC(=O)CC1COCCN1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327709	0	53	0.0	-71.24	421.62	0.38	-70.86
C[C@@H](NC(=O)CC1COCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327709	1	53	0.0	-79.13	429.39	0.53	-78.60
C[C@@H](NC(=O)CC1COCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327709	1	53	0.0	-79.13	429.39	0.53	-78.60
C[C@@H]1[C@@H](NC(=O)C2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025327921	0	49	0.0	-70.86	390.96	1.39	-69.47
C[C@@H]1[C@@H](NC(=O)C2CN(C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025327945	0	50	0.0	-75.62	401.25	1.16	-74.46
C[C@@H]1[C@@H](NC(=O)C2C[N@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025327945	1	50	0.0	-74.32	401.25	1.13	-73.19
C[C@@H]1[C@@H](NC(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025327945	1	50	0.0	-74.32	401.25	1.13	-73.19
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328089	0	55	0.0	-69.22	420.11	2.83	-66.39
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328089	1	55	0.0	-69.22	420.11	2.83	-66.39
CC1=NC=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328112	0	47	0.0	-68.71	399.50	2.42	-66.29
CC1=[NH+]C=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328112	1	47	0.0	-68.71	399.50	2.42	-66.29
C[C@@H]1[C@@H](NC(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328132	0	53	0.0	-76.16	412.14	2.61	-73.55
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)CC[N@@H+]1C	REAL300025328160	0	52	0.0	-74.64	407.59	1.82	-72.82
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)CC[N@H+]1C	REAL300025328160	1	52	0.0	-72.08	413.20	2.33	-69.75
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)CC[N@@H+]1C	REAL300025328162	0	55	0.0	-72.58	427.77	2.53	-70.05
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)CC[N@H+]1C	REAL300025328162	1	55	0.0	-70.72	431.77	3.08	-67.64
CC[N@@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025328167	1	53	0.0	-78.60	426.17	1.95	-76.65
CC[N@H+]1CCOC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025328167	1	53	0.0	-78.77	426.26	1.92	-76.85
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328212	0	55	0.0	-70.18	418.76	2.45	-67.73
C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328214	0	55	0.0	-72.03	439.97	3.30	-68.73
C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328217	0	55	0.0	-72.70	435.01	3.26	-69.44
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328220	0	55	0.0	-68.42	421.34	2.92	-65.50
CC[N@H+]1CCCCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328220	1	55	0.0	-67.52	430.88	3.08	-64.44
C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328230	0	52	0.0	-73.34	405.24	2.00	-71.34
CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025328236	0	54	0.0	-70.65	421.03	2.89	-67.76
C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328254	0	52	0.0	-70.57	417.30	2.83	-67.74
C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328254	1	52	0.0	-70.36	417.25	2.82	-67.54
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328308	1	51	0.0	-69.80	417.76	2.59	-67.21
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328308	1	51	0.0	-69.95	423.41	3.13	-66.82
C[C@@H]1[C@@H](NC(=O)CCC2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328313	0	55	0.0	-73.72	434.68	3.19	-70.53
C[C@@H]1[C@@H](NC(=O)CCC2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328313	1	55	0.0	-71.07	432.89	2.87	-68.20
C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328329	0	52	0.0	-74.81	415.60	2.49	-72.32
C[C@@H]1[C@@H](NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328356	0	52	0.0	-68.70	413.12	2.44	-66.26
C[C@@H]1[C@@H](NC(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328356	1	52	0.0	-68.83	413.03	2.42	-66.41
C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328409	1	53	0.0	-75.98	426.42	0.85	-75.13
CC1=C[NH+]=CN1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328421	1	47	0.0	-71.39	400.85	3.19	-68.20
C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328437	0	53	0.0	-70.80	415.88	2.82	-67.98
C[C@@H]1[C@@H](NC(=O)CC2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328442	0	52	0.0	-73.30	417.71	2.45	-70.85
C[C@@H]1[C@@H](NC(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328442	1	52	0.0	-73.19	417.91	2.39	-70.80
CCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025328448	0	51	0.0	-69.57	401.25	1.86	-67.71
C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328495	0	54	0.0	-73.45	436.47	2.98	-70.47
CC(C)C(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025328506	0	54	0.0	-70.48	421.20	3.00	-67.48
CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328507	0	54	0.0	-73.86	432.70	2.77	-71.09
CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328507	1	54	0.0	-73.89	432.72	2.78	-71.11
CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328510	0	51	0.0	-72.40	410.34	2.26	-70.14
CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328510	1	51	0.0	-72.42	410.33	2.25	-70.17
C[C@@H]1[C@@H](NC(=O)C23CC[N@H+](C2)CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328523	0	53	0.0	-72.21	412.68	2.07	-70.14
C[C@@H]1[C@@H](NC(=O)C23CC[N@@H+](C2)CCC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328523	1	53	0.0	-72.41	412.62	2.06	-70.35
C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328545	0	49	0.0	-68.94	397.40	1.88	-67.06
C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328545	1	49	0.0	-70.92	391.11	1.37	-69.55
CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328572	0	51	0.0	-70.40	407.21	2.19	-68.21
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328625	0	55	0.0	-72.89	433.95	3.34	-69.55
C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328643	0	52	0.0	-73.22	422.76	2.60	-70.62
C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328689	0	52	0.0	-74.81	415.60	2.49	-72.32
CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025328704	0	54	0.0	-69.50	415.30	2.32	-67.18
CCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](CC)CC	REAL300025328731	0	57	0.0	-66.33	433.73	2.87	-63.46
CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328761	0	51	0.0	-73.02	411.21	2.04	-70.98
CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328761	1	51	0.0	-73.06	411.22	2.04	-71.02
CC1CCC[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328784	0	52	0.0	-68.92	409.80	2.21	-66.71
CC1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025328784	1	52	0.0	-69.69	416.13	2.61	-67.08
CC1CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025328785	0	52	0.0	-71.61	417.14	2.58	-69.03
CC1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025328785	1	52	0.0	-71.50	416.50	2.52	-68.98
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328787	0	55	0.0	-71.69	435.86	3.08	-68.61
C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328787	1	55	0.0	-71.50	436.10	3.08	-68.42
C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328788	0	57	0.0	-72.06	441.24	3.42	-68.64
C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328788	1	57	0.0	-72.36	438.94	3.25	-69.11
CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025328795	0	51	0.0	-70.25	404.82	2.44	-67.81
C[C@@H]1[C@@H](NC(=O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328867	0	45	0.0	-72.75	371.12	0.83	-71.92
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328870	0	55	0.0	-71.87	422.04	2.88	-68.99
C[C@@H]1[C@@H](NC(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328873	0	47	0.0	-69.70	402.30	4.34	-65.36
C[C@@H]1[C@@H](NC(=O)C2CCC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328877	0	52	0.0	-66.91	409.52	2.65	-64.26
C[C@@H]1[C@@H](NC(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328877	1	52	0.0	-66.60	409.44	2.67	-63.93
C[C@@H]1[C@@H](NC(=O)C2CCC[N@@H+]2C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328882	0	53	0.0	-66.96	428.44	3.36	-63.60
C[C@@H]1[C@@H](NC(=O)C2CCC[N@H+]2C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328882	1	53	0.0	-66.89	423.49	3.20	-63.69
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+]1CCC1	REAL300025328894	1	49	0.0	-69.62	399.31	1.91	-67.71
CCC(CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)C[NH+](C)C	REAL300025328898	0	57	0.0	-76.23	446.04	3.45	-72.78
C[C@@H]1[C@@H](NC(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328903	0	54	0.0	-70.94	419.39	2.66	-68.28
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(O)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328914	1	53	0.0	-76.18	423.82	-0.64	-76.82
C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328915	0	49	0.0	-70.15	400.41	2.24	-67.91
C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328915	1	49	0.0	-69.47	400.37	2.24	-67.23
C[C@@H]1[C@@H](NC(=O)CC2C[NH+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328929	0	49	0.0	-72.63	402.54	1.65	-70.98
C[C@@H]1[C@@H](NC(=O)C2CC[N@@H+]2C(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328939	0	55	0.0	-68.87	416.91	1.97	-66.90
C[C@@H]1[C@@H](NC(=O)C2CC[N@H+]2C(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328939	1	55	0.0	-69.84	414.69	2.38	-67.46
C[C@@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025328949	0	48	0.0	-70.76	389.19	1.24	-69.52
C[C@@H]1[C@@H](NC(=O)CN=[N+]=[N-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300025328956	0	39	0.0	-22.60	348.09	-3.57	-26.17
C[C@@H]1[C@@H](NC(=O)CN2C=CSC2=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328998	0	45	0.0	-68.23	398.16	1.01	-67.22
C[C@@H]1[C@@H](NC(=O)CC[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329003	0	52	0.0	-72.93	421.57	-1.19	-74.12
C[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329003	1	52	0.0	-72.61	421.52	-1.19	-73.80
C[C@@H](C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025329004	0	48	0.0	-70.76	389.19	1.24	-69.52
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329007	0	52	0.0	-68.72	413.06	2.43	-66.29
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329007	1	52	0.0	-69.77	403.64	2.26	-67.51
C[C@@H]1[C@@H](NC(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329066	0	50	0.0	-74.68	409.87	2.37	-72.31
C[C@@H]1[C@@H](NC(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329066	1	50	0.0	-74.65	409.93	2.37	-72.28
C[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329086	0	52	0.0	-71.47	426.98	1.89	-69.58
C=CCC(C)(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025329097	0	55	0.0	-65.76	426.03	2.85	-62.91
C[C@@H]1[C@@H](NC(=O)C2(C)CC(O)C[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329114	0	53	0.0	-76.25	418.52	-0.87	-77.12
CC1CN(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025329131	0	49	0.0	-72.60	400.97	1.95	-70.65
CC1C[NH+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025329131	1	49	0.0	-72.60	400.97	1.95	-70.65
C[C@@H]1[C@@H](NC(=O)CN(C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329148	0	49	0.0	-72.93	399.12	-1.72	-74.65
C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329148	1	49	0.0	-72.44	398.97	-1.73	-74.17
C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329148	1	49	0.0	-72.44	398.97	-1.73	-74.17
CC[N@@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025329167	0	55	0.0	-70.46	433.35	3.11	-67.35
CC[N@H+]1CCCC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025329167	1	55	0.0	-70.47	433.35	3.12	-67.35
CC(CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)C[NH+](C)C	REAL300025329169	0	54	0.0	-73.22	428.06	2.84	-70.38
CC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025329172	0	48	0.0	-71.93	388.84	1.52	-70.41
CC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025329172	1	48	0.0	-71.97	388.84	1.51	-70.46
CC[N@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)C1CC1	REAL300025329196	0	52	0.0	-68.75	414.68	2.72	-66.03
CC[N@@H+](CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)C1CC1	REAL300025329196	1	52	0.0	-70.83	412.51	2.75	-68.08
CC[NH+](CC)CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025329204	0	54	0.0	-72.45	424.75	2.48	-69.97
C[C@@H]1[C@@H](NC(=O)C=C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329211	0	53	0.0	-72.48	424.59	3.12	-69.36
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(O)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329234	0	53	0.0	-71.62	427.09	-0.75	-72.37
C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(O)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329234	1	53	0.0	-71.59	426.97	-0.76	-72.35
C[C@@H]1[C@@H](NC(=O)C=CC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329237	0	49	0.0	-75.33	408.35	2.09	-73.24
COCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025329250	1	52	0.0	-72.24	421.22	0.67	-71.57
COCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025329250	1	52	0.0	-73.16	421.37	0.68	-72.48
C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329267	0	55	0.0	-74.40	422.60	2.95	-71.45
CC(CCC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025329269	0	54	0.0	-71.29	428.47	2.58	-68.71
CC[N@@H+]1CCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025329275	1	49	0.0	-71.11	402.69	1.82	-69.29
CC[N@H+]1CCC1C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025329275	1	49	0.0	-70.17	395.66	1.49	-68.68
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCCC2CO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329285	0	53	0.0	-71.70	420.75	-1.10	-72.80
C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCCC2CO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329285	1	53	0.0	-70.88	425.95	-0.61	-71.49
C[C@@H]1[C@@H](NC(=O)C2(C)CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329301	0	55	0.0	-70.79	428.35	2.91	-67.88
C=CCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025329317	0	52	0.0	-68.92	414.21	2.29	-66.63
C[C@@H]1[C@@H](NC(=O)C2CC(C)(C)C[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329324	0	55	0.0	-69.03	437.11	3.04	-65.99
C[C@@H]1[C@@H](NC(=O)C2CC(C)(C)C[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329324	1	55	0.0	-68.09	436.83	2.87	-65.22
C[C@@H]1[C@@H](NC(=O)CCCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329326	0	57	0.0	-72.78	457.97	3.76	-69.02
C[C@@H]1[C@@H](NC(=O)C[NH+]2CC3CC3C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329331	0	50	0.0	-72.45	405.85	2.67	-69.78
CCCC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+](C)C	REAL300025329343	0	54	0.0	-70.60	423.19	2.59	-68.01
C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329346	0	51	0.0	-73.03	398.54	1.97	-71.06
C[C@@H]1[C@@H](NC(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329369	0	52	0.0	-68.70	413.12	2.44	-66.26
C[C@@H]1[C@@H](NC(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329369	1	52	0.0	-68.83	413.03	2.42	-66.41
C[C@@H]1[C@@H](NC(=O)CC2=CC[N@H+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329388	0	53	0.0	-70.93	430.25	3.16	-67.77
C[C@@H]1[C@@H](NC(=O)CC2=CC[N@@H+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329388	1	53	0.0	-69.67	430.23	3.16	-66.51
C[C@@H]1[C@@H](NC(=O)C=CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329418	0	53	0.0	-74.35	433.33	3.26	-71.09
C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329444	0	49	0.0	-72.65	397.95	1.50	-71.15
C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329445	0	52	0.0	-72.89	418.31	2.50	-70.39
C[C@@H]1[C@@H](NC(=O)C2C[NH+]3CCN2CC3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329466	0	52	0.0	-77.49	407.35	-0.68	-78.17
C[C@@H]1[C@@H](NC(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329470	0	50	0.0	-72.91	401.42	2.16	-70.75
C[C@@H]1[C@@H](NC(=O)C23CC(C2)C[N@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329470	1	50	0.0	-72.39	403.47	2.03	-70.36
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC3CCC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329475	0	53	0.0	-70.20	417.89	2.95	-67.25
C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC3CCC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329475	1	53	0.0	-70.23	417.66	2.94	-67.29
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329510	1	51	0.0	-70.47	410.49	2.83	-67.64
C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC3C=CC2C3)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329510	1	51	0.0	-70.54	410.25	2.83	-67.71
CC(C[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025329540	0	51	0.0	-72.84	409.45	2.12	-70.72
C[C@@H]1[C@@H](NC(=O)CC2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329579	0	55	0.0	-66.11	422.89	2.90	-63.21
C[C@@H]1[C@@H](NC(=O)CC2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329579	1	55	0.0	-73.69	430.30	3.01	-70.68
CC(C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C)[NH+]1CC(C)C1	REAL300025329588	1	52	0.0	-69.31	419.68	2.46	-66.85
CC1CC[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025329590	1	49	0.0	-69.94	396.86	1.64	-68.30
CC1CC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025329590	1	49	0.0	-71.01	402.39	1.91	-69.10
C[C@@H]1[C@@H](NC(=O)CC(O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329592	0	52	0.0	-76.03	423.81	-0.17	-76.20
C[C@@H]1[C@@H](NC(=O)C2C[N@H+](C)CC(C)O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329609	1	53	0.0	-79.51	422.97	1.98	-77.53
C[C@@H]1[C@@H](NC(=O)C2C[N@@H+](C)CC(C)O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329609	1	53	0.0	-81.37	422.39	1.58	-79.79
C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329647	0	52	0.0	-72.22	420.65	2.57	-69.65
CC(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H]1C	REAL300025329651	0	54	0.0	-72.71	431.07	2.70	-70.01
C[C@@H]1[C@@H](NC(=O)CN2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329666	1	54	0.0	-71.77	430.12	0.35	-71.42
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300025329836	0	49	0.0	-70.47	389.52	1.27	-69.20
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C	REAL300025329836	1	49	0.0	-67.67	394.57	1.58	-66.09
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCOCC1	REAL300025330009	1	53	0.0	-75.83	426.38	0.82	-75.01
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300025330035	0	52	0.0	-73.21	418.07	2.43	-70.78
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300025330035	1	52	0.0	-74.56	417.54	2.41	-72.15
CCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025330041	0	51	0.0	-69.40	398.07	1.78	-67.62
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCC[NH+](C)C	REAL300025330071	0	54	0.0	-74.12	436.35	2.96	-71.16
CCC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330083	0	54	0.0	-74.14	432.60	2.77	-71.37
CCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330083	1	54	0.0	-74.06	432.58	2.78	-71.28
CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330085	0	51	0.0	-71.39	410.43	2.18	-69.21
CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330085	1	51	0.0	-71.63	410.21	2.20	-69.43
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300025330095	0	53	0.0	-72.85	405.64	1.72	-71.13
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300025330095	1	53	0.0	-77.06	403.87	1.61	-75.45
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC(C)CC1	REAL300025330118	0	55	0.0	-71.68	433.71	3.26	-68.42
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300025330146	0	52	0.0	-70.14	420.41	2.39	-67.75
CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330160	0	51	0.0	-73.05	411.21	2.01	-71.04
CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330160	1	51	0.0	-73.30	411.10	2.01	-71.29
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1C[NH+]2CCC1CC2	REAL300025330171	0	53	0.0	-76.40	409.25	2.32	-74.08
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025330201	0	52	0.0	-75.60	411.33	2.17	-73.43
CCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](CC)CC	REAL300025330278	0	57	0.0	-64.75	433.78	2.98	-61.77
CC1CCC[N@@H+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330286	0	52	0.0	-68.13	417.07	2.45	-65.68
CC1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330286	1	52	0.0	-68.07	417.18	2.46	-65.61
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330312	0	55	0.0	-67.98	416.66	2.86	-65.12
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330312	1	55	0.0	-68.17	421.82	3.19	-64.98
CC1CC[N@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)C1	REAL300025330326	0	52	0.0	-70.16	417.28	2.45	-67.71
CC1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)C1	REAL300025330326	1	52	0.0	-70.88	416.75	2.53	-68.35
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025330328	0	55	0.0	-70.69	435.93	3.04	-67.65
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300025330328	1	55	0.0	-70.83	436.32	3.02	-67.81
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300025330329	0	57	0.0	-71.35	440.77	3.34	-68.01
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300025330329	1	57	0.0	-71.28	438.96	3.19	-68.09
CC[C@@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025330335	0	51	0.0	-68.46	398.69	1.67	-66.79
CC1=[NH+]C=CN1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330407	1	47	0.0	-67.93	400.44	2.38	-65.55
CC[N@@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)C1	REAL300025330445	1	53	0.0	-79.42	421.73	1.65	-77.77
CC[N@H+]1CCOC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)C1	REAL300025330445	1	53	0.0	-72.63	414.73	1.49	-71.14
CC1=C[NH+]=CN1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330459	1	47	0.0	-70.75	400.80	3.12	-67.63
C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)CC[N@@H+]1C	REAL300025330463	0	52	0.0	-73.36	407.92	2.08	-71.28
C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)CC[N@H+]1C	REAL300025330463	1	52	0.0	-73.93	413.15	2.01	-71.92
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)CC[N@@H+]1C	REAL300025330465	0	55	0.0	-72.78	429.51	2.40	-70.38
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)CC[N@H+]1C	REAL300025330465	1	55	0.0	-72.41	432.42	2.90	-69.51
CC1CCC(C)[NH+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330469	0	55	0.0	-66.98	428.51	2.68	-64.30
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC[NH+]1CCCC1	REAL300025330471	0	55	0.0	-72.36	439.79	3.28	-69.08
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCCC1	REAL300025330474	0	55	0.0	-72.58	435.07	3.23	-69.35
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300025330540	0	52	0.0	-69.54	417.19	2.76	-66.78
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300025330540	1	52	0.0	-69.17	417.31	2.76	-66.41
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025330562	0	52	0.0	-75.60	411.33	2.17	-73.43
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300025330579	0	49	0.0	-68.15	396.54	1.70	-66.45
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300025330579	1	49	0.0	-69.70	389.80	1.29	-68.41
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1CCC[N@@H+]1C	REAL300025330597	0	55	0.0	-74.33	434.73	3.15	-71.18
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1CCC[N@H+]1C	REAL300025330597	1	55	0.0	-74.57	438.48	3.32	-71.25
CC1C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)CC[N@@H+]1C	REAL300025330687	0	52	0.0	-73.02	408.07	2.11	-70.91
CC1C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)CC[N@H+]1C	REAL300025330687	1	52	0.0	-69.79	417.93	2.19	-67.60
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025330726	0	55	0.0	-67.84	413.70	1.72	-66.12
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300025330726	1	55	0.0	-68.69	410.80	1.82	-66.87
C[C@@H](C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025330739	0	48	0.0	-70.06	387.66	1.16	-68.90
C=CCC(C)(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025330751	0	55	0.0	-72.44	414.29	2.70	-69.74
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCC1	REAL300025330763	0	52	0.0	-72.80	418.39	2.47	-70.33
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CCO	REAL300025330771	1	49	0.0	-71.92	399.29	-1.79	-73.71
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CCO	REAL300025330771	1	49	0.0	-71.83	398.95	-1.79	-73.62
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=CC[N@H+](C)CC1	REAL300025330812	0	53	0.0	-70.88	430.11	3.14	-67.74
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300025330812	1	53	0.0	-69.34	430.15	3.14	-66.20
CC1C[NH+](CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)C1	REAL300025330851	1	49	0.0	-71.54	402.41	1.88	-69.66
CC[N@@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)C1	REAL300025330855	0	55	0.0	-65.37	422.82	2.96	-62.41
CC[N@H+]1CCCC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)C1	REAL300025330855	1	55	0.0	-70.47	428.97	2.79	-67.68
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300025330865	0	53	0.0	-69.10	422.35	2.75	-66.35
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300025330865	1	53	0.0	-68.06	415.51	2.46	-65.60
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+]1CCCC1	REAL300025330882	0	53	0.0	-74.46	430.77	3.06	-71.40
CC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025330910	0	48	0.0	-70.99	388.93	1.45	-69.54
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC2C=CC1C2	REAL300025330936	0	51	0.0	-69.49	410.55	2.76	-66.73
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025330936	1	51	0.0	-69.26	410.34	2.74	-66.52
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300025330936	1	51	0.0	-69.26	410.34	2.74	-66.52
COCCN(C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331001	0	52	0.0	-71.59	421.10	0.62	-70.97
COCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331001	1	52	0.0	-72.20	421.54	0.61	-71.59
COCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331001	1	52	0.0	-72.20	421.54	0.61	-71.59
CC(CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025331004	0	54	0.0	-71.83	428.30	2.53	-69.30
CC[N@H+](CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)C1CC1	REAL300025331016	0	52	0.0	-68.36	417.80	2.81	-65.55
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300025331044	0	53	0.0	-69.20	417.86	2.89	-66.31
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300025331044	1	53	0.0	-69.20	417.86	2.89	-66.31
CC(C[NH+](C)C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331056	0	51	0.0	-73.31	410.83	1.93	-71.38
CCN1CCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331079	0	49	0.0	-68.77	395.27	1.48	-67.29
CC[N@@H+]1CCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331079	1	49	0.0	-68.72	394.15	1.38	-67.34
CC[N@H+]1CCC1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331079	1	49	0.0	-68.72	394.15	1.38	-67.34
CCC(C)(C)[NH2+]C(C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331084	0	57	0.0	-69.23	434.51	1.38	-67.85
CCCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025331112	0	54	0.0	-70.00	422.62	2.59	-67.41
CC(CC[NH+](C)C)C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331127	0	54	0.0	-72.82	426.81	2.39	-70.43
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025331171	0	55	0.0	-68.05	432.57	2.82	-65.23
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300025331171	1	55	0.0	-68.99	430.73	2.43	-66.56
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCCC[NH+](C)C	REAL300025331173	0	57	0.0	-73.07	457.97	3.73	-69.34
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC[NH+](C)CC1	REAL300025331180	1	54	0.0	-71.65	430.12	0.27	-71.38
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1C[N@H+](C)CC(C)O1	REAL300025331216	1	53	0.0	-82.27	418.38	1.38	-80.89
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1C[N@@H+](C)CC(C)O1	REAL300025331216	1	53	0.0	-81.50	426.07	1.76	-79.74
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300025331242	0	50	0.0	-71.23	405.66	2.62	-68.61
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300025331255	0	52	0.0	-69.01	399.86	1.88	-67.13
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300025331255	1	52	0.0	-67.96	411.50	2.35	-65.61
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300025331301	0	50	0.0	-75.29	407.99	2.38	-72.91
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300025331301	1	50	0.0	-75.11	408.07	2.36	-72.75
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300025331303	0	48	0.0	-71.31	406.74	0.06	-71.25
C[C@@H]1[C@@H](NC(=O)CSC2=NC(=O)NN2)CCN1C(=O)CN=[N+]=[N-]	REAL300025331322	0	39	0.0	-23.44	348.12	-3.61	-27.05
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025331354	0	49	0.0	-70.00	389.63	1.30	-68.70
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300025331354	1	49	0.0	-67.92	394.48	1.58	-66.34
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025331421	0	52	0.0	-72.32	420.42	2.50	-69.82
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC=CC[N@@H+]1C	REAL300025331428	0	53	0.0	-74.86	422.55	2.88	-71.98
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC=CC[N@H+]1C	REAL300025331428	1	53	0.0	-74.64	421.97	2.86	-71.78
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)COCC[NH+](C)C	REAL300025331455	0	52	0.0	-71.53	426.88	1.87	-69.66
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1C=CSC1=[NH2+]	REAL300025331472	0	45	0.0	-67.63	398.05	0.97	-66.66
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300025331516	0	52	0.0	-65.64	405.17	2.31	-63.33
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300025331516	1	52	0.0	-65.64	405.17	2.31	-63.33
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCCCCC1	REAL300025331517	0	55	0.0	-70.59	422.18	2.85	-67.74
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300025331520	0	47	0.0	-68.94	402.34	4.31	-64.63
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300025331537	0	49	0.0	-68.55	400.26	2.20	-66.35
CC(CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)C[NH+](C)C	REAL300025331554	0	54	0.0	-73.48	428.00	2.82	-70.66
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCCN1C	REAL300025331571	0	53	0.0	-77.43	422.07	0.65	-76.78
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCC[N@@H+]1C	REAL300025331571	1	53	0.0	-77.51	421.39	0.61	-76.90
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1COCC[N@H+]1C	REAL300025331571	1	53	0.0	-77.51	421.39	0.61	-76.90
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300025331618	0	53	0.0	-70.38	427.07	-0.81	-71.19
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1C[NH+](C)C1	REAL300025331639	0	49	0.0	-72.88	402.44	1.65	-71.23
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[N@H+](C)CCO	REAL300025331661	0	52	0.0	-72.71	421.43	-1.20	-73.91
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[N@@H+](C)CCO	REAL300025331661	1	52	0.0	-72.71	421.43	-1.20	-73.91
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CCCC[N@@H+]1C	REAL300025331672	0	55	0.0	-65.44	422.78	2.88	-62.56
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CCCC[N@H+]1C	REAL300025331672	1	55	0.0	-65.44	422.78	2.88	-62.56
CC1CCN1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331683	0	49	0.0	-69.82	402.43	1.93	-67.89
CC1CC[N@@H+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331683	1	49	0.0	-70.12	402.44	1.87	-68.25
CC1CC[N@H+]1CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331683	1	49	0.0	-70.12	402.44	1.87	-68.25
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+](C)C	REAL300025331687	0	49	0.0	-76.15	407.29	2.04	-74.11
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CC(C)(C)C1	REAL300025331691	0	52	0.0	-71.65	421.37	2.37	-69.28
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300025331691	1	52	0.0	-71.65	421.37	2.37	-69.28
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+]1CCCC1CO	REAL300025331722	0	53	0.0	-70.61	420.63	-1.13	-71.74
CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331724	0	51	0.0	-69.41	407.51	2.13	-67.28
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1CCC1	REAL300025331733	0	46	0.0	-71.56	381.41	1.27	-70.29
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC1	REAL300025331733	1	46	0.0	-71.56	381.41	1.27	-70.29
CC[NH+](CC)CCC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300025331755	0	54	0.0	-72.38	424.71	2.47	-69.91
CCC(CC(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)C[NH+](C)C	REAL300025331798	0	57	0.0	-73.96	442.11	3.28	-70.68
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025331823	0	52	0.0	-70.61	404.05	2.04	-68.57
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC(O)C[NH+](C)C	REAL300025331839	0	52	0.0	-76.66	423.79	-0.21	-76.87
C=CCC(C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1C)[NH+](C)C	REAL300025331859	0	52	0.0	-69.75	415.57	2.34	-67.41
C[C@@H]1[C@@H](NC(=O)CSC(N)=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025331885	0	43	0.0	-73.12	379.64	-2.29	-75.41
C[C@@H]1[C@@H](NC(=O)C2(CC[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025331908	0	55	0.0	-73.67	445.48	3.34	-70.33
C[C@@H]1[C@@H](NC(=O)CC2CC=CC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025331909	0	53	0.0	-67.13	417.35	2.82	-64.31
C[C@@H]1[C@@H](NC(=O)CC2CC=CC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025331909	1	53	0.0	-67.13	417.35	2.82	-64.31
CCC1C[NH+](CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)C1	REAL300025331990	1	52	0.0	-73.06	423.74	2.70	-70.36
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025331995	1	49	0.0	-69.07	396.99	1.87	-67.20
C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025332012	0	52	0.0	-71.90	412.80	2.69	-69.21
CC1C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)CC[N@@H+]1C	REAL300025332017	0	52	0.0	-70.40	416.98	2.40	-68.00
CC1C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)CC[N@H+]1C	REAL300025332017	1	52	0.0	-70.53	416.96	2.42	-68.11
C[C@@H]1[C@@H](NC(=O)CC2COCCN2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025332045	0	53	0.0	-77.29	421.75	0.65	-76.64
C[C@@H]1[C@@H](NC(=O)CC2COCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025332045	1	53	0.0	-69.25	414.25	0.51	-68.74
C[C@@H]1[C@@H](NC(=O)CC2COCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025332045	1	53	0.0	-77.29	421.75	0.65	-76.64
CCOCC(N=[N+]=[N-])C(=O)N[C@H]1CCN(C(=O)CSC2=NC(=O)NN2)[C@@H]1C	REAL300025332052	0	49	0.0	-22.39	424.17	-2.88	-25.27
C[NH+](C)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025332198	0	52	0.0	-72.02	418.82	2.96	-69.06
C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025332203	0	55	0.0	-68.84	436.94	3.37	-65.47
[N-]=[N+]=NCC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025332206	0	46	0.0	-23.89	395.80	-1.44	-25.33
C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025332216	0	55	0.0	-68.84	436.94	3.37	-65.47
O=C(C[NH+]1CCC1)N[C@@H]1C[C@H]1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025332224	1	53	0.0	-71.96	428.93	3.39	-68.57
C[C@H](C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025332229	0	55	0.0	-69.99	436.96	3.38	-66.61
CC[N@H+](C)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025332241	0	55	0.0	-71.43	436.57	3.63	-67.80
CC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025332241	1	55	0.0	-71.37	436.56	3.63	-67.74
C[C@@H](C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025332387	0	55	0.0	-72.56	435.52	3.25	-69.31
CC[N@H+](C)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025332406	0	55	0.0	-73.96	436.54	3.54	-70.42
CC[N@@H+](C)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025332406	1	55	0.0	-73.97	436.54	3.53	-70.44
C[C@H](C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025332419	0	55	0.0	-72.20	434.12	3.16	-69.04
[N-]=[N+]=NCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)CSC2=NC(=O)NN2)CC1	REAL300025332444	0	46	0.0	-23.77	395.81	-1.54	-25.31
C[NH+](C)CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025332475	0	52	0.0	-74.70	418.81	2.87	-71.83
C[C@@H](C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025332478	0	55	0.0	-72.56	435.52	3.25	-69.31
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]1C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025332485	1	53	0.0	-74.80	428.91	3.28	-71.52
C[NH+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025332734	0	48	0.0	-69.92	385.28	1.94	-67.98
C[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F)[NH+](C)C	REAL300025332745	0	51	0.0	-67.10	403.75	2.38	-64.72
[N-]=[N+]=NCC(=O)NC1CCCN(C(=O)CSC2=NC(=O)NN2)CC1F	REAL300025332748	0	42	0.0	-22.44	360.65	-2.74	-25.18
C[C@@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F)[NH+](C)C	REAL300025332762	0	51	0.0	-67.10	403.75	2.38	-64.72
C[C@H](C(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F)[NH+](C)C	REAL300025332780	0	51	0.0	-69.40	403.42	2.37	-67.03
CC[N@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025332796	0	51	0.0	-70.48	400.85	2.29	-68.19
CC[N@@H+](C)CC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025332796	1	51	0.0	-69.14	403.38	2.64	-66.50
C[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1)[NH+](C)C	REAL300025333084	0	51	0.0	-70.17	399.49	1.91	-68.26
CC[N@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025333112	0	51	0.0	-75.74	403.46	2.30	-73.44
CC[N@@H+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025333112	1	51	0.0	-77.49	400.83	2.20	-75.29
C[C@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1)[NH+](C)C	REAL300025333137	0	51	0.0	-71.88	399.33	2.20	-69.68
[N-]=[N+]=NCC(=O)N1CCCC(NC(=O)CSC2=NC(=O)NN2)C(F)C1	REAL300025333175	0	42	0.0	-24.69	360.76	-2.81	-27.50
C[NH+](C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025333225	0	48	0.0	-74.70	384.66	1.89	-72.81
C[C@@H](C(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1)[NH+](C)C	REAL300025333228	0	51	0.0	-70.17	399.49	1.91	-68.26
C[N@@H+]1CCCC1C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333412	0	53	0.0	-66.12	420.40	3.16	-62.96
C[N@H+]1CCCC1C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333412	1	53	0.0	-69.30	420.91	3.24	-66.06
CCC(C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025333506	0	55	0.0	-66.85	425.58	3.25	-63.60
CCC[N@H+](C)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333510	0	55	0.0	-70.01	434.88	3.62	-66.39
CCC[N@@H+](C)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333510	1	55	0.0	-71.26	434.67	3.73	-67.53
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333516	0	53	0.0	-67.98	415.66	2.73	-65.25
C[N@H+]1CCC[C@@H]1C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333516	1	53	0.0	-67.67	421.87	3.32	-64.35
CC[NH+](CC)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333519	0	55	0.0	-72.56	427.47	2.99	-69.57
CC[N@H+](C)CCC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333561	0	55	0.0	-72.07	435.54	3.53	-68.54
CC[N@@H+](C)CCC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333561	1	55	0.0	-72.13	435.54	3.55	-68.58
CC[C@@H](C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025333564	0	55	0.0	-68.38	428.73	3.90	-64.48
C[NH+](C)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333579	0	49	0.0	-71.60	395.44	2.32	-69.28
CC(C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+]1CCC1	REAL300025333583	1	53	0.0	-68.07	423.21	3.36	-64.71
C[N@H+](CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C1CC1	REAL300025333590	0	53	0.0	-68.55	424.71	3.74	-64.81
C[N@@H+](CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)C1CC1	REAL300025333590	1	53	0.0	-68.80	424.84	3.73	-65.07
C[NH+]1CC(CC(=O)NC2(C3CCN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025333595	0	53	0.0	-71.13	427.09	3.04	-68.09
C[C@@H](C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025333602	0	52	0.0	-68.86	413.55	2.74	-66.12
[N-]=[N+]=NCC(=O)NC1(C2CCN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025333605	0	43	0.0	-24.41	368.49	-2.73	-27.14
C[C@@H](C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025333621	0	52	0.0	-68.86	413.55	2.74	-66.12
O=C(C[NH+]1CCC1)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333637	1	50	0.0	-71.06	405.74	2.81	-68.25
C[C@H](C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025333645	0	52	0.0	-69.99	413.68	2.74	-67.25
CC1C[NH+](CC(=O)NC2(C3CCN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)C1	REAL300025333652	1	53	0.0	-71.27	425.53	3.49	-67.78
C[N@H+](CCO)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333662	1	53	0.0	-71.29	423.52	-0.24	-71.53
C[N@@H+](CCO)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333662	1	53	0.0	-71.31	423.37	-0.24	-71.55
CC[N@H+](C)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333667	0	52	0.0	-69.65	413.38	2.87	-66.78
CC[N@@H+](C)CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333667	1	52	0.0	-70.85	413.17	3.00	-67.85
C[NH+](C)CC=CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333682	0	53	0.0	-73.64	431.60	3.43	-70.21
CC[N@@H+]1CCC1C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333687	1	53	0.0	-71.48	426.59	3.19	-68.29
CC[N@H+]1CCC1C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333687	1	53	0.0	-69.15	420.05	2.97	-66.18
CC(C[NH+](C)C)C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333730	0	55	0.0	-70.55	434.00	3.48	-67.07
CC1CC[N@@H+]1CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333740	1	53	0.0	-70.31	420.77	3.03	-67.28
CC1CC[N@H+]1CC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025333740	1	53	0.0	-72.91	422.29	2.80	-70.11
C[N@@H+]1CCCC1C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025333852	0	53	0.0	-69.81	416.76	3.02	-66.79
C[N@H+]1CCCC1C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025333852	1	53	0.0	-70.24	418.25	3.11	-67.13
CCC(C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025333926	0	55	0.0	-71.07	423.47	3.09	-67.98
CCC[N@H+](C)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025333930	0	55	0.0	-74.30	430.20	3.08	-71.22
CCC[N@@H+](C)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025333930	1	55	0.0	-73.40	434.90	3.59	-69.81
CC[N@H+](C)CCC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025333947	0	55	0.0	-75.18	435.06	3.41	-71.77
CC[N@@H+](C)CCC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025333947	1	55	0.0	-75.31	435.06	3.41	-71.90
CC[C@@H](C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025333988	0	55	0.0	-73.02	420.94	2.74	-70.28
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334034	0	53	0.0	-71.83	414.06	2.74	-69.09
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334034	1	53	0.0	-70.70	417.80	3.02	-67.68
C[C@@H](C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025334089	0	52	0.0	-72.89	407.12	1.97	-70.92
C[N@H+](CCO)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334099	1	53	0.0	-73.84	423.76	-0.40	-74.24
C[N@@H+](CCO)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334099	1	53	0.0	-74.62	419.05	-0.89	-75.51
CC1C[NH+](CC(=O)N2CCC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025334115	1	53	0.0	-73.56	427.17	3.29	-70.27
CC[N@H+](C)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334133	0	52	0.0	-72.97	412.45	2.82	-70.15
CC[N@@H+](C)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334133	1	52	0.0	-73.95	408.70	2.34	-71.61
CC(C[NH+](C)C)C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334166	0	55	0.0	-76.81	429.73	2.80	-74.01
C[NH+](C)C1(C(=O)N2CCC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)CC1	REAL300025334169	0	53	0.0	-74.43	418.42	2.62	-71.81
C[C@H](C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025334173	0	52	0.0	-72.72	408.31	2.01	-70.71
CC[N@@H+]1CCC1C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334176	0	53	0.0	-73.14	427.02	3.22	-69.92
CC[N@H+]1CCC1C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334176	1	53	0.0	-72.99	426.51	3.16	-69.83
C[NH+](C)C(C)(C)C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334185	0	55	0.0	-76.74	408.53	2.48	-74.26
[N-]=[N+]=NCC(=O)N1CCC(C2(NC(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025334234	0	43	0.0	-25.03	368.50	-2.78	-27.81
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334247	0	53	0.0	-70.21	417.22	2.90	-67.31
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334247	1	53	0.0	-71.65	414.11	2.75	-68.90
C[N@H+](CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)C1CC1	REAL300025334284	0	53	0.0	-71.18	420.24	3.07	-68.11
C[N@@H+](CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)C1CC1	REAL300025334284	1	53	0.0	-71.81	420.36	3.09	-68.72
C[NH+]1CC(CC(=O)N2CCC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)C1	REAL300025334312	0	53	0.0	-75.73	422.09	2.42	-73.31
C[NH+](C)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334315	0	49	0.0	-74.66	390.97	1.67	-72.99
C[C@@H](C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025334318	0	52	0.0	-72.89	407.12	1.97	-70.92
CC1CC[N@@H+]1CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334327	0	53	0.0	-71.34	420.73	2.97	-68.37
CC1CC[N@H+]1CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334327	1	53	0.0	-71.07	421.37	3.04	-68.03
C[NH+](C)CC=CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334328	0	53	0.0	-77.88	432.14	3.39	-74.49
CC[NH+](CC)CC(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025334334	0	55	0.0	-72.35	426.66	3.00	-69.35
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCN(C(=O)C[NH+]3CCC3)C2)CC1	REAL300025334335	1	50	0.0	-74.51	401.27	2.15	-72.36
CC(C(=O)N1CCC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+]1CCC1	REAL300025334358	0	53	0.0	-70.90	414.99	2.67	-68.23
NC(=[NH2+])SCC(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025334398	0	47	0.0	-75.64	400.05	-1.46	-77.10
C[N@@H+]1CCC[C@H]1C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025334426	0	53	0.0	-67.96	421.40	3.35	-64.61
C[N@H+]1CCC[C@H]1C(=O)NC1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025334426	1	53	0.0	-70.36	415.00	2.76	-67.60
C[NH+](C)CC(=O)NC1CCOC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025334471	0	53	0.0	-72.12	416.71	1.49	-70.63
[N-]=[N+]=NCC(=O)NC1CCOC12CCN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300025334476	0	47	0.0	-23.69	393.70	-2.89	-26.58
[N-]=[N+]=NCC(=O)N1CCC2(CC1)OCCC2NC(=O)CSC1=NC(=O)NN1	REAL300025334533	0	47	0.0	-24.70	393.71	-2.98	-27.68
C[NH+](C)CC(=O)N1CCC2(CC1)OCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025334540	0	53	0.0	-71.26	416.74	1.40	-69.86
C[N@@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334658	0	53	0.0	-69.66	416.08	3.56	-66.10
C[N@H+]1CCCC1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334658	1	53	0.0	-71.71	416.07	3.61	-68.10
CCC(C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025334761	0	55	0.0	-71.22	424.27	3.82	-67.40
CCC[N@H+](C)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334766	0	55	0.0	-74.08	433.49	4.19	-69.89
CCC[N@@H+](C)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334766	1	55	0.0	-73.94	433.48	4.20	-69.74
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334774	0	53	0.0	-71.04	414.04	3.37	-67.67
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334774	1	53	0.0	-70.84	415.82	3.61	-67.23
CC[NH+](CC)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334779	0	55	0.0	-73.11	425.86	3.86	-69.25
CC[N@H+](C)CCC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334837	0	55	0.0	-74.98	434.41	4.07	-70.91
CC[N@@H+](C)CCC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334837	1	55	0.0	-75.10	434.41	4.08	-71.02
CC[C@@H](C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025334840	0	55	0.0	-71.04	418.45	3.60	-67.44
C[NH+](C)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334858	0	49	0.0	-75.19	394.28	2.79	-72.40
CC(C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025334862	1	53	0.0	-72.73	413.82	3.49	-69.24
C[N@H+](CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025334869	0	53	0.0	-71.04	423.58	4.21	-66.83
C[N@@H+](CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025334869	1	53	0.0	-70.71	423.50	4.19	-66.52
C[NH+]1CC(CC(=O)N2CCCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025334875	0	53	0.0	-73.47	425.54	3.66	-69.81
C[C@@H](C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025334882	0	52	0.0	-72.10	412.28	3.23	-68.87
[N-]=[N+]=NCC(=O)N1CCCC2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025334885	0	43	0.0	-24.83	371.25	-1.61	-26.44
C[C@@H](C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025334904	0	52	0.0	-72.10	412.28	3.23	-68.87
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C[NH+]1CCC1)C2	REAL300025334922	1	50	0.0	-73.91	405.83	3.28	-70.63
C[C@H](C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025334933	0	52	0.0	-71.85	409.60	3.12	-68.73
CC1C[NH+](CC(=O)N2CCCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025334940	1	53	0.0	-74.37	425.53	3.96	-70.41
C[N@H+](CCO)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334951	1	53	0.0	-74.02	422.34	0.22	-73.80
C[N@@H+](CCO)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334951	1	53	0.0	-74.35	422.08	0.24	-74.11
CC[N@H+](C)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334958	0	52	0.0	-73.09	413.34	3.51	-69.58
CC[N@@H+](C)CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334958	1	52	0.0	-73.63	411.99	3.46	-70.17
C[NH+](C)CC=CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334976	0	53	0.0	-79.33	429.15	4.03	-75.30
CC[N@@H+]1CCC1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334982	1	53	0.0	-73.42	416.00	3.36	-70.06
CC[N@H+]1CCC1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334982	1	53	0.0	-73.47	426.55	3.81	-69.66
C[NH+](C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025334996	0	55	0.0	-79.44	410.79	3.41	-76.03
C[NH+](C)C1(C(=O)N2CCCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025335019	0	53	0.0	-78.67	418.84	3.51	-75.16
CC(C[NH+](C)C)C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025335041	0	55	0.0	-77.81	432.23	3.97	-73.84
CC1CC[N@@H+]1CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025335052	1	53	0.0	-72.71	425.53	3.90	-68.81
CC1CC[N@H+]1CC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025335052	1	53	0.0	-72.25	420.30	3.61	-68.64
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335167	0	53	0.0	-70.86	418.56	3.74	-67.12
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335167	1	53	0.0	-71.07	414.59	3.39	-67.68
CCC(C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025335241	0	55	0.0	-63.75	425.18	3.98	-59.77
CCC[N@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335245	0	55	0.0	-74.17	433.63	4.28	-69.89
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335245	1	55	0.0	-73.30	435.05	4.32	-68.98
CC[N@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335262	0	55	0.0	-76.90	435.92	4.14	-72.76
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335262	1	55	0.0	-67.81	434.40	4.11	-63.70
CC[C@@H](C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025335303	0	55	0.0	-71.24	424.22	3.86	-67.38
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335349	0	53	0.0	-71.01	414.88	3.40	-67.61
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335349	1	53	0.0	-71.46	419.17	3.85	-67.61
C[C@@H](C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025335404	0	52	0.0	-73.66	411.70	3.23	-70.43
C[N@H+](CCO)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335414	1	53	0.0	-74.88	423.91	0.34	-74.54
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335414	1	53	0.0	-74.68	422.27	0.30	-74.38
CC1C[NH+](CC(=O)N2CC3(C2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025335430	1	53	0.0	-73.84	425.83	4.04	-69.80
CC[N@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335448	0	52	0.0	-73.00	413.55	3.58	-69.42
CC[N@@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335448	1	52	0.0	-73.93	412.13	3.52	-70.41
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335481	0	55	0.0	-68.36	430.07	3.92	-64.44
C[NH+](C)C1(C(=O)N2CC3(C2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025335484	0	53	0.0	-78.77	417.20	3.58	-75.19
C[C@H](C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025335488	0	52	0.0	-71.42	413.44	3.29	-68.13
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335491	1	53	0.0	-74.30	427.44	3.88	-70.42
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335491	1	53	0.0	-58.87	419.19	3.50	-55.37
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335500	0	55	0.0	-66.49	412.08	3.77	-62.72
[N-]=[N+]=NCC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025335549	0	43	0.0	-27.81	372.79	-1.49	-29.30
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335562	0	53	0.0	-71.41	418.60	3.82	-67.59
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335562	1	53	0.0	-58.08	414.47	3.39	-54.69
C[N@H+](CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025335599	0	53	0.0	-63.05	423.60	4.29	-58.76
C[N@@H+](CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025335599	1	53	0.0	-70.97	425.24	4.33	-66.64
C[NH+]1CC(CC(=O)N2CC3(C2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025335627	0	53	0.0	-69.01	425.61	3.71	-65.30
C[NH+](C)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335630	0	49	0.0	-66.49	394.32	2.88	-63.61
C[C@@H](C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025335633	0	52	0.0	-73.66	411.70	3.23	-70.43
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335642	1	53	0.0	-71.60	421.33	3.72	-67.88
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335642	1	53	0.0	-72.05	420.30	3.70	-68.35
C[NH+](C)CC=CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335643	0	53	0.0	-72.09	431.28	4.11	-67.98
CC[NH+](CC)CC(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335649	0	55	0.0	-64.17	425.91	3.95	-60.22
O=C(C[NH+]1CCC1)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025335650	1	50	0.0	-74.89	404.60	3.34	-71.55
CC(C(=O)N1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025335673	1	53	0.0	-72.00	416.62	3.52	-68.48
NC(=[NH2+])SCC(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025335713	0	47	0.0	-76.94	402.21	-0.17	-77.11
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025335745	0	53	0.0	-58.19	420.87	3.72	-54.47
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025335745	1	53	0.0	-71.58	412.82	3.33	-68.25
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300025335928	0	52	0.0	-66.46	409.45	3.80	-62.66
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300025335928	1	52	0.0	-74.94	406.07	3.39	-71.55
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300025335952	1	53	0.0	-75.43	407.75	2.96	-72.47
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300025335952	1	53	0.0	-68.62	409.61	2.89	-65.73
CC1=[NH+]C=CN1CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336091	1	50	0.0	-51.96	403.18	5.00	-46.96
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025336109	0	55	0.0	-59.44	406.63	4.55	-54.89
C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025336109	1	55	0.0	-71.78	419.69	4.25	-67.53
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300025336129	0	55	0.0	-68.08	412.09	3.98	-64.10
CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025336131	0	57	0.0	-48.36	412.99	4.91	-43.45
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300025336140	0	55	0.0	-71.21	431.76	4.80	-66.41
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300025336140	1	55	0.0	-67.96	431.46	4.84	-63.12
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300025336164	0	55	0.0	-56.85	422.32	4.14	-52.71
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300025336170	0	55	0.0	-68.94	412.99	3.96	-64.98
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300025336170	1	55	0.0	-72.24	413.90	3.82	-68.42
CC1=C[NH+]=CN1CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336187	1	50	0.0	-70.03	414.15	5.22	-64.81
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300025336197	0	55	0.0	-78.50	432.54	4.42	-74.08
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300025336197	1	55	0.0	-72.50	431.71	4.48	-68.02
CCC(C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025336200	0	54	0.0	-68.04	411.68	3.74	-64.30
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300025336214	0	57	0.0	-73.54	450.17	5.02	-68.52
CC(C)C(C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025336217	0	57	0.0	-67.07	427.53	4.43	-62.64
CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336218	0	57	0.0	-78.21	447.48	4.78	-73.43
CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336218	1	57	0.0	-78.32	447.48	4.80	-73.52
CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336219	0	54	0.0	-70.34	424.11	4.25	-66.09
CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336219	1	54	0.0	-70.66	423.61	4.28	-66.38
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300025336234	0	52	0.0	-66.54	408.16	3.69	-62.85
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300025336234	1	52	0.0	-67.94	403.93	3.39	-64.55
CC[NH+](CC)CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336246	0	54	0.0	-71.73	416.05	3.81	-67.92
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300025336300	0	55	0.0	-51.03	414.51	4.80	-46.23
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300025336322	0	55	0.0	-56.85	422.32	4.14	-52.71
CC(C)[C@H](C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025336337	0	57	0.0	-74.11	428.89	4.53	-69.58
CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336364	0	54	0.0	-77.50	425.98	4.03	-73.47
CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336364	1	54	0.0	-72.43	425.21	4.10	-68.33
CC1CCC[N@@H+]1CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336374	0	55	0.0	-67.50	429.99	4.61	-62.89
CC1CCC[N@H+]1CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336374	1	55	0.0	-66.87	423.57	4.20	-62.67
CC1CC[N@H+](CC(=O)N(C)C[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025336375	0	55	0.0	-73.08	429.92	4.49	-68.59
CC1CC[N@@H+](CC(=O)N(C)C[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025336375	1	55	0.0	-69.10	431.50	4.49	-64.61
CC[C@@H](C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025336377	0	54	0.0	-69.92	413.93	3.92	-66.00
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300025336413	0	48	0.0	-74.01	384.61	2.75	-71.26
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300025336414	0	50	0.0	-67.38	415.62	6.38	-61.00
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300025336417	0	55	0.0	-65.66	416.35	4.40	-61.26
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300025336417	1	55	0.0	-64.80	418.13	4.51	-60.29
CC(C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025336424	1	52	0.0	-67.26	411.38	3.73	-63.53
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300025336427	0	57	0.0	-68.24	419.15	3.87	-64.37
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300025336434	0	52	0.0	-67.80	414.40	4.27	-63.53
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300025336434	1	52	0.0	-70.64	413.81	4.15	-66.49
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300025336445	0	52	0.0	-76.35	416.46	3.68	-72.67
C[C@@H](C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025336457	0	51	0.0	-70.06	399.90	3.15	-66.91
CN(C[C@@H]1CCCN1C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300025336464	0	42	0.0	-21.16	361.36	-1.54	-22.70
C[C@@H](C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025336495	0	51	0.0	-70.06	399.90	3.15	-66.91
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025336498	0	55	0.0	-65.81	424.33	4.40	-61.41
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300025336498	1	55	0.0	-71.78	412.84	3.84	-67.94
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300025336525	1	49	0.0	-70.47	394.98	3.26	-67.21
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300025336534	0	53	0.0	-74.28	422.86	4.40	-69.88
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300025336534	1	53	0.0	-79.99	423.93	4.35	-75.64
C[C@H](C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025336552	0	51	0.0	-68.31	400.81	3.21	-65.10
CC1C[NH+](CC(=O)N(C)C[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025336568	1	52	0.0	-74.96	415.36	3.96	-71.00
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300025336581	1	52	0.0	-71.39	412.47	0.30	-71.09
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300025336581	1	52	0.0	-70.08	412.77	0.34	-69.74
CC(CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025336593	0	57	0.0	-77.95	442.83	4.84	-73.11
CC[N@H+](C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336595	0	51	0.0	-70.10	402.12	3.54	-66.56
CC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336595	1	51	0.0	-70.19	402.61	3.51	-66.68
CC[N@H+](CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025336605	0	55	0.0	-68.12	423.98	4.38	-63.74
CC[N@@H+](CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025336605	1	55	0.0	-66.46	428.93	4.60	-61.86
CC[NH+](CC)CCC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336611	0	57	0.0	-77.17	439.34	4.46	-72.71
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300025336619	1	55	0.0	-70.75	435.61	4.49	-66.26
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300025336626	0	52	0.0	-81.58	422.28	4.06	-77.52
CC(CCC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025336643	0	57	0.0	-70.99	441.27	4.67	-66.32
CC[N@@H+]1CCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336647	1	52	0.0	-69.28	414.99	3.71	-65.57
CC[N@H+]1CCC1C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336647	1	52	0.0	-50.31	389.94	3.59	-46.72
C=CCC(C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025336668	0	55	0.0	-73.51	430.18	4.39	-69.12
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300025336676	0	53	0.0	-70.55	420.53	4.72	-65.83
CCCC(C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025336681	0	57	0.0	-49.19	422.32	5.24	-43.95
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300025336683	0	54	0.0	-71.55	377.62	3.92	-67.63
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300025336693	0	55	0.0	-68.94	412.99	3.96	-64.98
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300025336693	1	55	0.0	-72.24	413.90	3.82	-68.42
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300025336729	0	52	0.0	-71.66	406.35	3.34	-68.32
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300025336730	0	55	0.0	-76.77	433.60	4.58	-72.19
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300025336740	0	53	0.0	-70.91	408.26	4.10	-66.81
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C	REAL300025336740	1	53	0.0	-69.12	411.13	4.12	-65.00
CC(C[NH+](C)C)C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336775	0	54	0.0	-68.57	417.69	3.98	-64.59
CC(C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025336795	0	55	0.0	-67.90	428.84	4.20	-63.70
CC1CC[N@@H+]1CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336796	1	52	0.0	-68.24	410.67	3.65	-64.59
CC1CC[N@H+]1CC(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336796	1	52	0.0	-69.38	416.17	3.91	-65.47
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025336827	0	55	0.0	-73.98	433.38	4.59	-69.39
CC(CC[NH+](C)C)C(=O)N(C)C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025336828	0	57	0.0	-72.98	442.07	4.58	-68.40
CN(C[C@@H]1CCCN1C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025336997	0	52	0.0	-71.43	403.46	3.31	-68.12
CN(C[C@@H]1CCCN1C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025336997	1	52	0.0	-67.64	403.78	3.35	-64.29
CN(C[C@@H]1CCCN1C(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337171	0	55	0.0	-72.11	431.55	4.50	-67.61
CN(C[C@@H]1CCCN1C(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337171	1	55	0.0	-78.63	431.82	4.46	-74.17
CCC(C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025337174	0	54	0.0	-66.99	412.85	3.75	-63.24
CN(C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337183	0	57	0.0	-72.46	450.25	5.03	-67.43
CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337186	0	57	0.0	-72.41	446.48	4.87	-67.54
CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337186	1	57	0.0	-72.23	446.48	4.87	-67.36
CCC[N@H+](C)CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337187	0	54	0.0	-69.66	425.36	4.30	-65.36
CCC[N@@H+](C)CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337187	1	54	0.0	-69.69	424.35	4.30	-65.39
CN(C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337217	0	55	0.0	-70.89	433.13	4.47	-66.42
CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337222	0	54	0.0	-71.50	424.98	4.12	-67.38
CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337222	1	54	0.0	-71.53	424.98	4.12	-67.41
CN(C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337237	0	55	0.0	-73.55	425.68	4.30	-69.25
CC1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337275	0	55	0.0	-70.19	424.83	4.16	-66.03
CC1CCC[N@H+]1CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337275	1	55	0.0	-66.11	423.55	4.25	-61.86
CC1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025337290	0	55	0.0	-68.87	431.29	4.55	-64.32
CC1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025337290	1	55	0.0	-72.41	430.45	4.52	-67.89
CC[C@@H](C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025337292	0	54	0.0	-69.58	413.48	3.65	-65.93
CC1=[NH+]C=CN1CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337326	1	50	0.0	-62.85	384.67	3.78	-59.07
CC1=C[NH+]=CN1CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337341	1	50	0.0	-60.85	377.75	5.59	-55.26
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025337342	0	55	0.0	-72.00	421.94	4.16	-67.84
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025337342	1	55	0.0	-78.47	427.31	4.01	-74.46
CN(C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337365	0	55	0.0	-67.75	431.35	4.88	-62.87
CN(C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337365	1	55	0.0	-67.30	432.13	4.89	-62.41
CN(C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337371	0	55	0.0	-73.55	425.68	4.30	-69.25
CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337381	0	52	0.0	-66.36	405.06	3.68	-62.68
CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337381	1	52	0.0	-74.75	404.98	3.29	-71.46
CC1C(C(=O)N2CCC[C@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025337441	0	55	0.0	-70.71	421.93	3.92	-66.79
CC1C(C(=O)N2CCC[C@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025337441	1	55	0.0	-68.68	431.08	4.32	-64.36
C[C@@H](C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025337475	0	51	0.0	-67.84	400.30	3.26	-64.58
CN(C[C@@H]1CCCN1C(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337493	0	55	0.0	-70.99	433.23	4.63	-66.36
CN(C[C@@H]1CCCN1C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337498	1	52	0.0	-70.41	413.20	0.32	-70.09
CN(C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337498	1	52	0.0	-69.98	412.53	0.66	-69.32
CC1C[NH+](CC(=O)N2CCC[C@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025337537	1	52	0.0	-70.31	414.95	4.02	-66.29
CC[N@H+](C)CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337562	0	51	0.0	-69.40	403.86	3.56	-65.84
CC[N@@H+](C)CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337562	1	51	0.0	-69.35	402.84	3.57	-65.78
CC(CCC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025337607	0	57	0.0	-70.14	441.64	4.61	-65.53
CC[N@H+](CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025337611	0	55	0.0	-65.90	434.65	4.93	-60.97
CC[N@@H+](CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025337611	1	55	0.0	-71.83	428.92	4.54	-67.29
CC(C[NH+](C)C)C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337630	0	54	0.0	-71.13	420.64	3.93	-67.20
C[C@H](C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025337642	0	51	0.0	-67.43	400.55	3.19	-64.24
CC[N@@H+]1CCC1C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337645	1	52	0.0	-74.36	417.31	3.78	-70.58
CC[N@H+]1CCC1C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337645	1	52	0.0	-68.86	415.54	3.78	-65.08
CN(C[C@@H]1CCCN1C(=O)C1=C[NH+]=CC=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337655	0	48	0.0	-54.11	381.73	1.36	-52.75
CCCC(C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025337659	0	57	0.0	-53.88	422.65	5.08	-48.80
CC(CC[NH+](C)C)C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337669	0	57	0.0	-71.28	442.30	4.59	-66.69
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337725	0	53	0.0	-69.58	420.70	4.74	-64.84
CN(C[C@@H]1CCCN1C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337732	0	55	0.0	-65.73	424.68	4.39	-61.34
CN(C[C@@H]1CCCN1C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337732	1	55	0.0	-66.62	425.10	4.43	-62.19
CN(C[C@@H]1CCCN1C(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337751	0	53	0.0	-73.94	422.09	4.44	-69.50
CN(C[C@@H]1CCCN1C(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337751	1	53	0.0	-73.82	422.43	4.45	-69.37
CN(C[C@@H]1CCCN1C(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300025337756	0	42	0.0	-21.32	362.08	-1.50	-22.82
CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337769	0	52	0.0	-68.95	404.02	3.39	-65.56
CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337769	1	52	0.0	-71.33	409.43	3.70	-67.63
CN(C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337805	0	55	0.0	-69.99	433.99	4.61	-65.38
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337839	0	55	0.0	-69.19	426.88	4.72	-64.47
CN(C[C@@H]1CCCN1C(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337840	0	55	0.0	-76.61	426.36	4.16	-72.45
CN(C[C@@H]1CCCN1C(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337840	1	55	0.0	-53.87	396.77	4.66	-49.21
CN(C[C@@H]1CCCN1C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337841	0	50	0.0	-67.26	416.46	6.39	-60.87
CN(C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337850	0	52	0.0	-71.18	415.31	4.22	-66.96
CN(C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337850	1	52	0.0	-66.60	415.15	4.30	-62.30
CC(CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025337858	0	57	0.0	-72.14	443.61	4.89	-67.25
CN(C[C@@H]1CCCN1C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337898	0	52	0.0	-71.71	416.17	3.72	-67.99
CN(C[C@@H]1CCCN1C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337905	0	48	0.0	-70.42	385.68	2.88	-67.54
C[C@@H](C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025337913	0	51	0.0	-67.84	400.30	3.26	-64.58
CC(C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025337923	0	55	0.0	-66.64	430.46	4.40	-62.24
CC1CC[N@@H+]1CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337924	1	52	0.0	-73.11	415.66	3.79	-69.32
CC1CC[N@H+]1CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337924	1	52	0.0	-72.76	417.21	3.91	-68.85
CN(C[C@@H]1CCCN1C(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337925	0	52	0.0	-81.26	422.43	4.04	-77.22
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337928	1	55	0.0	-69.64	435.30	4.44	-65.20
CC[NH+](CC)CC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337941	0	54	0.0	-68.26	420.75	4.19	-64.07
CN(C[C@@H]1CCCN1C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337946	1	49	0.0	-69.97	395.54	3.35	-66.62
CC[NH+](CC)CCC(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337960	0	57	0.0	-70.75	438.59	4.56	-66.19
CC(C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025337981	0	52	0.0	-67.27	408.48	3.61	-63.66
CN(C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337999	0	55	0.0	-59.68	404.84	4.73	-54.95
CN(C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337999	1	55	0.0	-68.03	417.78	4.16	-63.87
C=CCC(C(=O)N1CCC[C@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025338015	0	55	0.0	-68.85	426.86	4.18	-64.67
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300025338035	0	46	0.0	-78.92	393.19	-0.15	-79.07
CCC1C[NH+](CC(=O)N(C)C[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025338090	1	55	0.0	-74.95	437.89	4.66	-70.29
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025338094	0	52	0.0	-69.57	400.17	3.26	-66.31
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300025338094	1	52	0.0	-56.00	383.92	4.47	-51.53
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300025338101	0	55	0.0	-73.87	427.62	4.64	-69.23
CC1C(C(=O)N(C)C[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025338105	0	55	0.0	-74.58	412.90	3.66	-70.92
CC1C(C(=O)N(C)C[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025338105	1	55	0.0	-71.75	419.69	4.25	-67.50
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCOCC2	REAL300025338179	0	53	0.0	-73.68	418.80	0.79	-72.89
[N-]=[N+]=NCC(=O)NC1CN(C(=O)CSC2=NC(=O)NN2)CC12CCOCC2	REAL300025338184	0	47	0.0	-23.80	394.43	-3.68	-27.48
[N-]=[N+]=NCC(=O)N1CC(NC(=O)CSC2=NC(=O)NN2)C2(C1)CCOCC2	REAL300025338241	0	47	0.0	-24.57	393.14	-3.54	-28.11
C[NH+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(C1)CCOCC2	REAL300025338248	0	53	0.0	-67.53	418.79	0.76	-66.77
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025338378	0	53	0.0	-73.37	407.20	-0.02	-73.39
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025338378	1	53	0.0	-75.14	405.71	-0.25	-75.39
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025338471	0	53	0.0	-75.26	405.99	-0.24	-75.50
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025338471	1	53	0.0	-73.30	406.43	-0.08	-73.38
C[NH+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025338546	0	49	0.0	-78.18	387.73	-0.76	-78.94
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1)[NH+]1CCC1	REAL300025338550	1	53	0.0	-74.41	407.75	-0.21	-74.62
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1)C1CC1	REAL300025338555	0	53	0.0	-74.42	416.33	0.60	-73.82
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1)C1CC1	REAL300025338555	1	53	0.0	-75.29	416.47	0.59	-74.70
C[NH+]1CC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(CCO)C2)C1	REAL300025338560	0	53	0.0	-77.63	419.02	0.11	-77.52
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1)[NH+](C)C	REAL300025338567	0	52	0.0	-75.65	403.07	-0.44	-76.09
[N-]=[N+]=NCC(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)C(CCO)C1	REAL300025338570	0	43	0.0	-26.08	364.03	-5.22	-31.30
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1)[NH+](C)C	REAL300025338587	0	52	0.0	-75.65	403.07	-0.44	-76.09
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC2)CC1CCO	REAL300025338599	1	50	0.0	-77.74	398.09	-0.29	-78.03
C[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1)[NH+](C)C	REAL300025338607	0	52	0.0	-74.95	402.37	-0.42	-75.37
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(CCO)C2)C1	REAL300025338613	1	53	0.0	-77.58	419.01	0.33	-77.25
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025338628	0	52	0.0	-77.39	405.56	-0.09	-77.48
CC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025338628	1	52	0.0	-77.40	405.37	-0.09	-77.49
C[NH+](C)CC=CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025338643	0	53	0.0	-80.72	423.18	0.45	-80.27
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025338647	1	53	0.0	-76.25	418.93	0.17	-76.08
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025338647	1	53	0.0	-76.26	418.49	0.16	-76.10
C[NH+](C)C1(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(CCO)C2)CC1	REAL300025338676	0	53	0.0	-76.12	408.98	-0.36	-76.48
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025338699	1	53	0.0	-75.13	413.23	0.02	-75.11
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025338699	1	53	0.0	-75.19	412.78	0.00	-75.19
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025338799	0	53	0.0	-72.85	405.99	-0.27	-73.12
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025338799	1	53	0.0	-72.96	403.56	0.04	-72.92
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025338927	0	53	0.0	-73.31	406.63	-0.21	-73.52
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025338927	1	53	0.0	-70.62	409.07	0.08	-70.54
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO)[NH+](C)C	REAL300025338969	0	52	0.0	-71.79	400.72	-0.50	-72.29
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2CCO)C1	REAL300025338990	1	53	0.0	-74.49	419.09	0.35	-74.14
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025339005	0	52	0.0	-74.25	405.46	-0.09	-74.34
CC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025339005	1	52	0.0	-74.38	404.81	-0.13	-74.51
C[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO)[NH+](C)C	REAL300025339028	0	52	0.0	-71.85	401.81	-0.48	-72.33
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025339030	1	53	0.0	-72.96	419.00	0.24	-72.72
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025339030	1	53	0.0	-71.36	410.89	-0.10	-71.46
[N-]=[N+]=NCC(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)CC1CCO	REAL300025339069	0	43	0.0	-26.53	364.70	-5.16	-31.69
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025339077	0	53	0.0	-70.01	409.97	0.02	-69.99
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025339077	1	53	0.0	-72.97	406.57	-0.25	-73.22
C[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO)C1CC1	REAL300025339103	0	53	0.0	-71.33	417.00	0.64	-70.69
C[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO)C1CC1	REAL300025339103	1	53	0.0	-72.04	417.14	0.65	-71.39
C[NH+]1CC(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2CCO)C1	REAL300025339122	0	53	0.0	-74.49	419.17	0.13	-74.36
C[NH+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025339125	0	49	0.0	-74.98	387.73	-0.77	-75.75
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO)[NH+](C)C	REAL300025339128	0	52	0.0	-71.79	400.72	-0.50	-72.29
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025339133	1	53	0.0	-72.10	413.54	0.10	-72.00
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025339133	1	53	0.0	-73.27	418.83	0.30	-72.97
C[NH+](C)CC=CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO	REAL300025339134	0	53	0.0	-77.87	423.62	0.48	-77.39
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C[NH+]2CCC2)C(CCO)C1	REAL300025339140	1	50	0.0	-74.47	397.39	-0.32	-74.79
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CCO)[NH+]1CCC1	REAL300025339153	1	53	0.0	-71.28	413.92	0.06	-71.22
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025339200	0	53	0.0	-73.79	409.42	0.06	-73.73
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CCO)C1	REAL300025339200	1	53	0.0	-76.42	405.89	-0.24	-76.66
C[N@@H+]1CCCC1C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339323	0	53	0.0	-69.74	428.01	3.87	-65.87
C[N@H+]1CCCC1C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339323	1	53	0.0	-69.75	427.42	3.93	-65.82
CCC(C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025339426	0	55	0.0	-74.72	436.92	4.06	-70.66
CCC[N@H+](C)CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339431	0	55	0.0	-72.09	443.52	4.42	-67.67
CCC[N@@H+](C)CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339431	1	55	0.0	-76.11	443.13	4.40	-71.71
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339439	0	53	0.0	-75.14	422.95	3.38	-71.76
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339439	1	53	0.0	-69.68	425.29	3.79	-65.89
CC[NH+](CC)CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339444	0	55	0.0	-74.21	439.99	4.27	-69.94
CC[N@H+](C)CCC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339502	0	55	0.0	-78.63	444.01	4.22	-74.41
CC[N@@H+](C)CCC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339502	1	55	0.0	-78.74	444.49	4.24	-74.50
CC[C@@H](C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025339505	0	55	0.0	-73.47	434.19	3.99	-69.48
C[NH+](C)CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339523	0	49	0.0	-76.60	404.27	3.00	-73.60
CC(C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025339527	0	53	0.0	-70.38	429.55	3.75	-66.63
C[N@H+](CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025339534	0	53	0.0	-73.13	433.55	4.41	-68.72
C[N@@H+](CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025339534	1	53	0.0	-73.68	433.33	4.40	-69.28
C[NH+]1CC(CC(=O)N2CC(C3CCN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025339540	0	53	0.0	-78.34	435.20	3.83	-74.51
C[C@@H](C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025339547	0	52	0.0	-75.21	421.81	3.37	-71.84
[N-]=[N+]=NCC(=O)N1CC(C2CCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025339550	0	43	0.0	-27.21	381.23	-1.39	-28.60
C[C@@H](C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025339569	0	52	0.0	-75.21	421.81	3.37	-71.84
O=C(C[NH+]1CCC1)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339587	1	50	0.0	-76.64	414.55	3.48	-73.16
C[C@H](C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025339598	0	52	0.0	-71.40	421.86	3.29	-68.11
CC1C[NH+](CC(=O)N2CC(C3CCN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025339605	1	53	0.0	-76.50	435.68	4.11	-72.39
C[N@H+](CCO)CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339616	1	53	0.0	-77.02	431.99	0.43	-76.59
C[N@@H+](CCO)CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339616	1	53	0.0	-76.77	432.13	0.37	-76.40
CC[N@H+](C)CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339623	0	52	0.0	-71.71	422.03	3.68	-68.03
CC[N@@H+](C)CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339623	1	52	0.0	-75.81	421.64	3.66	-72.15
C[NH+](C)CC=CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339641	0	53	0.0	-81.92	440.08	4.12	-77.80
CC[N@@H+]1CCC1C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339647	0	53	0.0	-70.84	423.76	3.63	-67.21
CC[N@H+]1CCC1C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339647	1	53	0.0	-75.97	435.85	4.02	-71.95
C[NH+](C)C(C)(C)C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339661	0	55	0.0	-80.61	426.96	3.97	-76.64
C[NH+](C)C1(C(=O)N2CC(C3CCN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025339684	0	53	0.0	-74.81	429.34	3.90	-70.91
CC(C[NH+](C)C)C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339706	0	55	0.0	-79.11	444.35	4.07	-75.04
CC1CC[N@@H+]1CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339717	0	53	0.0	-70.29	430.24	3.77	-66.52
CC1CC[N@H+]1CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339717	1	53	0.0	-71.22	435.14	3.97	-67.25
C[N@@H+]1CCCC1C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339832	0	53	0.0	-74.61	422.38	3.42	-71.19
C[N@H+]1CCCC1C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339832	1	53	0.0	-72.84	426.40	3.84	-69.00
CCC(C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025339906	0	55	0.0	-74.34	434.01	3.94	-70.40
CCC[N@H+](C)CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339910	0	55	0.0	-75.37	443.62	4.40	-70.97
CCC[N@@H+](C)CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339910	1	55	0.0	-75.39	443.14	4.37	-71.02
CC[N@H+](C)CCC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339927	0	55	0.0	-77.70	444.38	4.22	-73.48
CC[N@@H+](C)CCC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025339927	1	55	0.0	-77.70	444.39	4.22	-73.48
CC[C@@H](C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025339968	0	55	0.0	-74.12	432.00	3.95	-70.17
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340014	0	53	0.0	-74.66	422.85	3.47	-71.19
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340014	1	53	0.0	-72.85	425.77	3.81	-69.04
C[C@@H](C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025340069	0	52	0.0	-73.83	420.50	3.32	-70.51
C[N@H+](CCO)CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340079	1	53	0.0	-75.99	432.00	0.40	-75.59
C[N@@H+](CCO)CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340079	1	53	0.0	-75.90	432.27	0.42	-75.48
CC1C[NH+](CC(=O)N2CCC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025340095	1	53	0.0	-75.81	434.90	3.94	-71.87
CC[N@H+](C)CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340113	0	52	0.0	-75.03	422.12	3.67	-71.36
CC[N@@H+](C)CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340113	1	52	0.0	-74.99	421.64	3.63	-71.36
CC(C[NH+](C)C)C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340146	0	55	0.0	-77.78	438.94	4.00	-73.78
C[NH+](C)C1(C(=O)N2CCC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025340149	0	53	0.0	-78.19	424.23	3.41	-74.78
C[C@H](C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025340153	0	52	0.0	-73.79	420.10	3.19	-70.60
CC[N@@H+]1CCC1C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340156	0	53	0.0	-75.15	435.72	3.93	-71.22
CC[N@H+]1CCC1C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340156	1	53	0.0	-72.87	426.95	3.55	-69.32
C[NH+](C)C(C)(C)C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340165	0	55	0.0	-79.01	421.08	3.76	-75.25
[N-]=[N+]=NCC(=O)N1CCC(C2CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025340214	0	43	0.0	-26.63	381.22	-1.52	-28.15
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340227	0	53	0.0	-72.01	425.71	3.63	-68.38
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340227	1	53	0.0	-74.69	422.84	3.37	-71.32
C[N@H+](CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025340264	0	53	0.0	-72.56	433.55	4.39	-68.17
C[N@@H+](CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025340264	1	53	0.0	-73.10	433.69	4.41	-68.69
C[NH+]1CC(CC(=O)N2CCC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025340292	0	53	0.0	-77.04	434.97	3.73	-73.31
C[NH+](C)CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340295	0	49	0.0	-75.72	403.85	2.97	-72.75
C[C@@H](C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025340298	0	52	0.0	-73.83	420.50	3.32	-70.51
CC1CC[N@@H+]1CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340307	0	53	0.0	-74.46	435.58	4.05	-70.41
CC1CC[N@H+]1CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340307	1	53	0.0	-74.51	435.67	4.07	-70.44
C[NH+](C)CC=CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340308	0	53	0.0	-81.06	440.40	4.20	-76.86
CC[NH+](CC)CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340314	0	55	0.0	-73.78	440.35	4.34	-69.44
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CCN(C(=O)C[NH+]3CCC3)C2)C1	REAL300025340315	1	50	0.0	-75.84	413.90	3.33	-72.51
CC(C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025340338	0	53	0.0	-73.36	422.01	3.49	-69.87
NC(=[NH2+])SCC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340378	0	47	0.0	-79.60	412.19	-0.04	-79.64
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340410	0	53	0.0	-69.13	428.86	3.89	-65.24
C[N@H+]1CCC[C@H]1C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025340410	1	53	0.0	-71.58	422.92	3.38	-68.20
C[N@@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340592	0	49	0.0	-70.09	397.55	1.89	-68.20
C[N@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340592	1	49	0.0	-70.27	397.65	1.92	-68.35
C[N@@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025340616	1	50	0.0	-87.86	408.75	1.33	-86.53
C[N@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025340616	1	50	0.0	-84.60	408.72	1.33	-83.27
CC(C)[N@@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340760	0	55	0.0	-72.25	424.06	3.19	-69.06
CC(C)[N@H+]1CCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340760	1	55	0.0	-68.61	430.11	2.99	-65.62
CC1=[NH+]C=CN1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340783	1	47	0.0	-70.70	400.97	2.45	-68.25
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1C[NH+]2CCC1CC2	REAL300025340803	0	53	0.0	-78.21	412.85	2.65	-75.56
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025340831	0	52	0.0	-77.28	407.85	1.85	-75.43
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025340831	1	52	0.0	-74.18	413.56	2.56	-71.62
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025340833	0	55	0.0	-75.52	428.38	2.52	-73.00
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025340833	1	55	0.0	-74.18	433.68	2.87	-71.31
CC[N@@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025340838	1	53	0.0	-86.78	426.73	1.94	-84.84
CC[N@H+]1CCOC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025340838	1	53	0.0	-80.39	419.70	1.78	-78.61
CC1CCC(C)[NH+]1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340883	0	55	0.0	-71.65	419.05	2.47	-69.18
O=C(CCC[NH+]1CCCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340885	0	55	0.0	-75.51	439.77	3.27	-72.24
O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340888	0	55	0.0	-74.94	435.77	3.29	-71.65
CC[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340891	0	55	0.0	-67.52	431.58	3.07	-64.45
CC[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340891	1	55	0.0	-68.80	421.69	2.97	-65.83
C[NH+](C)C1(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025340901	0	52	0.0	-62.85	388.75	3.65	-59.20
CC(C)[C@@H](C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025340907	0	54	0.0	-69.60	421.30	3.02	-66.58
C[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025340925	0	52	0.0	-70.90	417.39	2.88	-68.02
C[N@@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025340925	1	52	0.0	-71.07	417.79	2.84	-68.23
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340979	1	51	0.0	-69.35	418.38	2.63	-66.72
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340979	1	51	0.0	-70.30	423.89	3.16	-67.14
C[N@@H+]1CCCC1CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340984	0	55	0.0	-77.87	439.00	3.34	-74.53
C[N@H+]1CCCC1CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025340984	1	55	0.0	-79.45	435.11	3.20	-76.25
C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025341000	0	52	0.0	-79.45	416.13	2.52	-76.93
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341027	0	52	0.0	-71.52	403.90	2.32	-69.20
C[N@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341027	1	52	0.0	-70.00	404.00	2.32	-67.68
O=C(CC[NH+]1CCOCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341080	1	53	0.0	-78.23	427.03	0.87	-77.36
CC1=C[NH+]=CN1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341092	1	47	0.0	-71.90	401.05	3.23	-68.67
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2	REAL300025341108	0	53	0.0	-43.63	386.98	4.02	-39.61
C[N@@H+]1CCC(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341113	0	52	0.0	-76.97	417.77	2.43	-74.54
C[N@H+]1CCC(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341113	1	52	0.0	-76.49	418.21	2.48	-74.01
CCC(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025341119	0	51	0.0	-70.49	404.44	2.02	-68.47
C[NH+](C)CCCCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341166	0	54	0.0	-78.27	436.92	2.98	-75.29
CC(C)C(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025341177	0	54	0.0	-69.70	415.39	2.40	-67.30
CCC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341178	0	54	0.0	-76.50	433.36	2.83	-73.67
CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341178	1	54	0.0	-76.85	433.16	2.80	-74.05
CCC[N@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341181	0	51	0.0	-73.03	410.52	2.30	-70.73
CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341181	1	51	0.0	-72.96	410.52	2.31	-70.65
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300025341194	0	53	0.0	-79.12	413.49	2.11	-77.01
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300025341194	1	53	0.0	-74.99	412.93	2.10	-72.89
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341216	0	49	0.0	-74.08	391.35	1.43	-72.65
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341216	1	49	0.0	-70.28	396.36	1.95	-68.33
CC[NH+](CC)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341243	0	51	0.0	-71.31	403.27	1.96	-69.35
CC1CC[NH+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025341296	0	55	0.0	-73.60	434.68	3.35	-70.25
C[NH+](C)CC1(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025341314	0	52	0.0	-49.40	413.90	3.67	-45.73
C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025341360	0	52	0.0	-79.45	416.13	2.52	-76.93
CC(C)[C@H](C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025341375	0	54	0.0	-50.60	413.96	4.08	-46.52
CCC(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025341402	0	57	0.0	-66.31	436.22	3.22	-63.09
CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341432	0	51	0.0	-76.00	411.65	2.06	-73.94
CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341432	1	51	0.0	-76.12	411.66	2.06	-74.06
CC1CCC[N@@H+]1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341455	0	52	0.0	-69.51	410.51	2.26	-67.25
CC1CCC[N@H+]1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341455	1	52	0.0	-69.90	416.46	2.64	-67.26
CC1CC[N@H+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341456	0	52	0.0	-72.03	417.47	2.60	-69.43
CC1CC[N@@H+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341456	1	52	0.0	-72.16	417.33	2.60	-69.56
CC1(C)CC[N@H+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341458	0	55	0.0	-72.69	437.22	3.07	-69.62
CC1(C)CC[N@@H+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341458	1	55	0.0	-72.68	436.82	3.08	-69.60
C[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025341459	0	57	0.0	-73.96	438.76	3.37	-70.59
C[N@@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025341459	1	57	0.0	-72.50	441.76	3.49	-69.01
CC[C@@H](C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025341466	0	51	0.0	-68.79	402.09	1.88	-66.91
C[NH+](C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341538	0	45	0.0	-73.48	371.30	0.89	-72.59
O=C(C[NH+]1CCCCCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341541	0	55	0.0	-72.25	422.71	2.91	-69.34
CN1C=C[N+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025341544	0	47	0.0	-70.75	402.79	4.35	-66.40
C[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341548	0	52	0.0	-67.39	409.68	2.71	-64.68
C[N@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341548	1	52	0.0	-65.90	409.96	2.68	-63.22
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300025341553	0	53	0.0	-68.28	428.75	3.39	-64.89
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300025341553	1	53	0.0	-67.95	423.83	3.23	-64.72
CC(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025341565	1	49	0.0	-72.20	401.37	1.87	-70.33
CCC(CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025341569	0	57	0.0	-69.25	446.12	3.52	-65.73
C[NH+](C)CC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341574	0	54	0.0	-74.36	419.90	2.70	-71.66
O=C(C[NH+]1CCC(O)CC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341585	1	53	0.0	-77.95	424.94	-0.61	-78.56
C[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025341586	0	49	0.0	-70.33	400.83	2.25	-68.08
C[N@@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025341586	1	49	0.0	-70.43	400.78	2.31	-68.12
C[NH+]1CC(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341600	0	49	0.0	-74.74	403.05	1.70	-73.04
CC(C)(C)[N@@H+]1CCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341610	0	55	0.0	-70.79	432.78	2.61	-68.18
CC(C)(C)[N@H+]1CCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341610	1	55	0.0	-69.64	432.63	2.57	-67.07
C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025341620	0	48	0.0	-70.51	389.02	1.32	-69.19
[N-]=[N+]=NCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025341627	0	39	0.0	-25.42	348.28	-3.54	-28.96
[NH2+]=C1SC=CN1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341669	0	45	0.0	-68.39	398.37	1.05	-67.34
C[N@H+](CCO)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341674	0	52	0.0	-76.17	422.01	-1.15	-77.32
C[N@@H+](CCO)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341674	1	52	0.0	-74.85	422.03	-1.12	-75.97
C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025341675	0	48	0.0	-70.51	389.02	1.32	-69.19
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341678	0	52	0.0	-71.69	403.94	2.31	-69.38
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341678	1	52	0.0	-71.06	413.31	2.48	-68.58
O=C(C[NH+]1CCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341723	1	46	0.0	-73.76	381.48	1.32	-72.44
C[N@@H+]1CCC(=CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341737	0	50	0.0	-77.93	410.67	2.40	-75.53
C[N@H+]1CCC(=CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341737	1	50	0.0	-78.61	409.44	2.40	-76.21
C[NH+](C)CCOCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341757	0	52	0.0	-75.45	427.34	1.93	-73.52
C=CCC(C)(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025341768	0	55	0.0	-81.08	423.24	3.09	-77.99
C[N@@H+]1CC(O)CC1(C)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341785	0	53	0.0	-58.40	406.55	-0.24	-58.64
CC1CN(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341802	0	49	0.0	-73.57	401.41	2.02	-71.55
CC1C[NH+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341802	1	49	0.0	-73.57	401.41	2.02	-71.55
CN(CCO)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341819	0	49	0.0	-73.42	399.38	-1.68	-75.10
C[N@H+](CCO)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341819	1	49	0.0	-74.30	399.44	-1.74	-76.04
C[N@@H+](CCO)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341819	1	49	0.0	-74.30	399.44	-1.74	-76.04
CC[N@@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341838	0	55	0.0	-65.57	427.29	3.35	-62.22
CC[N@H+]1CCCC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341838	1	55	0.0	-65.57	427.29	3.35	-62.22
CC(CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025341840	0	54	0.0	-76.77	428.74	2.84	-73.93
CC[N@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341843	0	48	0.0	-72.74	389.02	1.56	-71.18
CC[N@H+](CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025341867	0	52	0.0	-70.28	416.96	2.90	-67.38
CC[NH+](CC)CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341875	0	54	0.0	-75.42	425.29	2.50	-72.92
CC1(O)CC[N@H+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025341905	0	53	0.0	-71.73	427.26	-0.71	-72.44
C[NH+](C)CC=CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341908	0	49	0.0	-78.90	407.59	2.04	-76.86
COCCN(C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341921	0	52	0.0	-74.19	421.70	0.67	-73.52
COCC[N@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341921	1	52	0.0	-73.62	421.63	0.73	-72.89
COCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341921	1	52	0.0	-73.62	421.63	0.73	-72.89
C[NH+](C)C1(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025341938	0	55	0.0	-49.43	407.15	3.94	-45.49
CC(CCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025341940	0	54	0.0	-78.60	425.32	2.60	-76.00
CCN1CCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341946	0	49	0.0	-71.03	396.17	1.61	-69.42
CC[N@@H+]1CCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341946	1	49	0.0	-69.37	396.04	1.41	-67.96
CC[N@H+]1CCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341946	1	49	0.0	-69.37	396.04	1.41	-67.96
O=C(C[N@H+]1CCCC1CO)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341956	0	53	0.0	-69.98	417.17	-0.60	-70.58
C[NH+]1CCC(C)(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025341972	0	55	0.0	-75.66	428.60	2.97	-72.69
C=CCC(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025341988	0	52	0.0	-68.11	415.25	2.31	-65.80
C[N@@H+]1CC(C)(C)CC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341995	0	55	0.0	-69.74	431.65	2.51	-67.23
C[NH+](C)CCCCCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341997	0	57	0.0	-77.61	458.42	3.76	-73.85
CCCC(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025342014	0	54	0.0	-73.57	426.29	2.82	-70.75
C[NH+](C)C(C)(C)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342017	0	51	0.0	-54.32	389.37	2.87	-51.45
C[N@@H+]1CCCCC1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342040	0	52	0.0	-70.00	404.00	2.32	-67.68
C[N@H+]1CC=C(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025342059	0	53	0.0	-70.84	430.74	3.14	-67.70
C[N@@H+]1CC=C(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025342059	1	53	0.0	-70.84	430.74	3.14	-67.70
O=C(C=CC[NH+]1CCCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342089	0	53	0.0	-77.71	432.61	3.15	-74.56
O=C(CC[NH+]1CCCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342116	0	52	0.0	-75.69	418.87	2.50	-73.19
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1C[NH+]2CCN1CC2	REAL300025342137	0	52	0.0	-84.21	407.62	-0.65	-84.86
C[N@@H+]1CC2CC1(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025342141	0	50	0.0	-49.30	381.66	3.35	-45.95
O=C(C[N@@H+]1CC2CCC1C2)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342146	0	53	0.0	-69.45	415.23	2.75	-66.70
O=C(C[N@H+]1CC2CCC1C2)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342146	1	53	0.0	-69.45	415.23	2.75	-66.70
O=C(C[N@@H+]1CC2C=CC1C2)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342181	1	51	0.0	-71.33	410.97	2.79	-68.54
O=C(C[N@H+]1CC2C=CC1C2)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342181	1	51	0.0	-68.59	410.32	2.73	-65.86
CC(C[NH+](C)C)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342211	0	51	0.0	-75.75	410.05	2.14	-73.61
C[N@@H+]1CCCCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342250	0	55	0.0	-64.52	423.28	2.91	-61.61
C[N@H+]1CCCCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342250	1	55	0.0	-67.52	423.36	2.89	-64.63
CC(C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025342259	1	52	0.0	-70.62	419.24	2.60	-68.02
CC1CC[N@@H+]1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342261	1	49	0.0	-72.37	403.12	1.95	-70.42
CC1CC[N@H+]1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342261	1	49	0.0	-71.19	397.41	1.66	-69.53
C[NH+](C)CC(O)CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342263	0	52	0.0	-79.96	423.91	-0.06	-80.02
CC1C[N@H+](C)CC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025342280	1	53	0.0	-90.19	422.95	1.60	-88.59
CC1C[N@@H+](C)CC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025342280	1	53	0.0	-86.16	423.09	1.62	-84.54
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025342318	0	52	0.0	-73.59	420.89	2.60	-70.99
CC(CC[NH+](C)C)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025342322	0	54	0.0	-75.86	431.65	2.70	-73.16
C[NH+]1CCN(CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025342337	1	54	0.0	-73.78	430.31	0.40	-73.38
C[N@@H+]1CCCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342507	0	49	0.0	-72.43	390.38	1.28	-71.15
C[N@H+]1CCCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342507	1	49	0.0	-68.91	390.76	1.29	-67.62
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1	REAL300025342680	1	53	0.0	-76.93	426.61	0.86	-76.07
C[N@@H+]1CCC(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025342706	0	52	0.0	-75.34	418.43	2.36	-72.98
C[N@H+]1CCC(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025342706	1	52	0.0	-76.63	417.90	2.43	-74.20
CCC(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025342712	0	51	0.0	-68.61	396.11	1.65	-66.96
C[NH+](C)CCCCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342742	0	54	0.0	-76.12	436.68	2.96	-73.16
CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342754	0	54	0.0	-74.70	433.22	2.76	-71.94
CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342754	1	54	0.0	-74.46	433.38	2.81	-71.65
CCC[N@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342756	0	51	0.0	-71.49	410.84	2.18	-69.31
CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342756	1	51	0.0	-71.42	410.78	2.19	-69.23
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300025342766	0	53	0.0	-75.14	404.75	1.64	-73.50
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300025342766	1	53	0.0	-67.56	401.56	2.38	-65.18
CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025342789	0	55	0.0	-72.09	434.18	3.26	-68.83
C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025342817	0	52	0.0	-64.14	414.99	3.15	-60.99
CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342831	0	51	0.0	-73.99	411.72	2.02	-71.97
CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342831	1	51	0.0	-74.02	411.72	2.04	-71.98
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1C[NH+]2CCC1CC2	REAL300025342842	0	53	0.0	-77.96	409.05	2.31	-75.65
C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025342872	0	52	0.0	-77.86	411.20	2.16	-75.70
CCC(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025342949	0	57	0.0	-65.32	433.63	2.93	-62.39
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342957	0	52	0.0	-69.43	416.50	2.57	-66.86
CC1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342957	1	52	0.0	-68.64	416.56	2.44	-66.20
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342983	0	55	0.0	-70.28	421.68	2.91	-67.37
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025342983	1	55	0.0	-67.40	428.63	2.77	-64.63
CC1CC[N@H+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025342997	0	52	0.0	-70.57	417.58	2.46	-68.11
CC1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025342997	1	52	0.0	-71.02	416.72	2.52	-68.50
CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025342999	0	55	0.0	-71.04	436.79	3.03	-68.01
CC1(C)CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025342999	1	55	0.0	-71.12	436.20	3.05	-68.07
C[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025343000	0	57	0.0	-71.68	439.10	3.27	-68.41
C[N@@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025343000	1	57	0.0	-71.03	441.69	3.38	-67.65
CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025343006	0	51	0.0	-69.82	401.49	1.86	-67.96
CC1=[NH+]C=CN1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343078	1	47	0.0	-68.81	400.76	2.39	-66.42
CC[N@@H+]1CCOC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025343116	1	53	0.0	-78.40	418.45	2.31	-76.09
CC[N@H+]1CCOC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025343116	1	53	0.0	-72.63	410.70	2.14	-70.49
CC1=C[NH+]=CN1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343130	1	47	0.0	-69.85	401.32	3.13	-66.72
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025343134	0	52	0.0	-72.66	408.08	2.00	-70.66
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025343134	1	52	0.0	-73.23	409.30	2.40	-70.83
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025343136	0	55	0.0	-73.23	425.61	2.38	-70.85
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025343136	1	55	0.0	-71.14	428.35	2.77	-68.37
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343140	0	55	0.0	-64.88	426.14	3.61	-61.27
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1	REAL300025343142	0	55	0.0	-73.59	440.19	3.34	-70.25
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1	REAL300025343145	0	55	0.0	-73.55	435.35	3.27	-70.28
C[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025343211	0	52	0.0	-70.10	417.56	2.78	-67.32
C[N@@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025343211	1	52	0.0	-69.80	417.43	2.78	-67.02
C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025343233	0	52	0.0	-77.86	411.20	2.16	-75.70
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343250	0	49	0.0	-72.17	390.73	1.27	-70.90
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343250	1	49	0.0	-69.25	393.32	1.64	-67.61
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343268	0	55	0.0	-72.65	432.72	2.85	-69.80
C[N@H+]1CCCC1CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343268	1	55	0.0	-77.76	435.14	3.17	-74.59
CC1C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025343358	0	52	0.0	-73.40	408.54	1.80	-71.60
CC1C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025343358	1	52	0.0	-74.03	413.16	2.01	-72.02
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343397	0	55	0.0	-69.49	432.07	2.43	-67.06
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343397	1	55	0.0	-68.40	432.72	2.50	-65.90
C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025343410	0	48	0.0	-62.67	383.07	1.83	-60.84
C=CCC(C)(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025343422	0	55	0.0	-74.59	411.05	3.71	-70.88
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CC[NH+]1CCCC1	REAL300025343434	0	52	0.0	-74.00	418.66	2.50	-71.50
C[N@H+](CCO)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343442	1	49	0.0	-71.89	399.64	-1.78	-73.67
C[N@@H+](CCO)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343442	1	49	0.0	-72.50	399.62	-1.75	-74.25
C[N@H+]1CC=C(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025343483	0	53	0.0	-71.08	430.47	3.17	-67.91
C[N@@H+]1CC=C(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025343483	1	53	0.0	-68.84	430.76	3.12	-65.72
CC1C[NH+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025343522	1	49	0.0	-72.06	402.41	1.90	-70.16
CC[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025343526	0	55	0.0	-58.14	420.10	3.88	-54.26
CC[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025343526	1	55	0.0	-64.77	422.69	2.94	-61.83
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300025343536	0	53	0.0	-69.28	422.87	2.74	-66.54
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1CCC[N@H+]1C1CC1	REAL300025343536	1	53	0.0	-70.97	420.76	2.59	-68.38
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C=CC[NH+]1CCCC1	REAL300025343553	0	53	0.0	-76.25	432.44	3.21	-73.04
CC[N@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343581	0	48	0.0	-71.16	389.29	1.45	-69.71
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CN1CC2C=CC1C2	REAL300025343607	0	51	0.0	-68.48	410.19	2.67	-65.81
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025343607	1	51	0.0	-69.58	411.32	2.80	-66.78
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300025343607	1	51	0.0	-69.58	411.32	2.80	-66.78
COCCN(C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343672	0	52	0.0	-72.77	421.63	0.66	-72.11
COCC[N@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343672	1	52	0.0	-72.08	421.89	0.62	-71.46
COCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343672	1	52	0.0	-72.08	421.89	0.62	-71.46
CC(CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025343675	0	54	0.0	-73.10	428.16	2.57	-70.53
CC[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025343687	0	52	0.0	-63.55	412.43	3.55	-60.00
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300025343715	0	53	0.0	-68.12	415.88	2.68	-65.44
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[N@H+]1CC2CCC1C2	REAL300025343715	1	53	0.0	-68.12	415.88	2.68	-65.44
CC(C[NH+](C)C)C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343727	0	51	0.0	-66.59	403.85	2.63	-63.96
CCN1CCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343750	0	49	0.0	-71.63	402.29	1.71	-69.92
CC[N@@H+]1CCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343750	1	49	0.0	-71.61	402.63	1.82	-69.79
CC[N@H+]1CCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343750	1	49	0.0	-71.61	402.63	1.82	-69.79
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343755	0	57	0.0	-61.88	434.26	2.02	-59.86
CCCC(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025343783	0	54	0.0	-67.80	421.20	2.47	-65.33
CC(CC[NH+](C)C)C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343798	0	54	0.0	-74.51	427.61	2.41	-72.10
C[N@@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343842	0	55	0.0	-67.64	430.66	2.44	-65.20
C[N@H+]1CC(C)(C)CC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343842	1	55	0.0	-67.64	430.66	2.44	-65.20
C[NH+](C)CCCCCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343844	0	57	0.0	-75.34	458.24	3.79	-71.55
CN1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025343851	0	54	0.0	-71.70	430.65	0.29	-71.41
C[NH+]1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025343851	1	54	0.0	-71.70	430.65	0.29	-71.41
CC1CN(C)CC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025343887	0	53	0.0	-82.49	414.43	2.05	-80.44
CC1C[N@H+](C)CC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025343887	1	53	0.0	-81.15	415.83	2.47	-78.68
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025343887	1	53	0.0	-81.15	415.83	2.47	-78.68
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300025343913	0	50	0.0	-71.78	407.08	2.66	-69.12
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025343926	0	52	0.0	-64.10	399.44	2.82	-61.28
C[N@@H+]1CCC(=CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025343972	0	50	0.0	-76.57	409.76	2.34	-74.23
C[N@H+]1CCC(=CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025343972	1	50	0.0	-76.57	409.76	2.34	-74.23
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CNC1=CC=[NH+]C=C1	REAL300025343974	0	48	0.0	-73.54	407.06	0.09	-73.45
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344025	0	49	0.0	-68.88	390.71	1.27	-67.61
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344025	1	49	0.0	-68.88	390.71	1.27	-67.61
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344092	0	52	0.0	-75.22	420.65	2.54	-72.68
C[N@@H+]1CC=CCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344099	0	53	0.0	-66.45	417.84	2.80	-63.65
C[N@H+]1CC=CCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344099	1	53	0.0	-66.45	417.84	2.80	-63.65
C[NH+](C)CCOCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344126	0	52	0.0	-73.39	427.03	1.87	-71.52
[NH2+]=C1SC=CN1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344143	0	45	0.0	-68.49	398.43	0.99	-67.50
C[N@@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344187	0	52	0.0	-65.59	409.34	2.96	-62.63
C[N@H+]1CCCC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344187	1	52	0.0	-65.59	409.34	2.96	-62.63
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[NH+]1CCCCCC1	REAL300025344188	0	55	0.0	-70.89	422.68	2.85	-68.04
CN1C=C[N+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025344191	0	47	0.0	-68.91	402.58	4.32	-64.59
C[N@H+](CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025344208	0	49	0.0	-68.86	400.96	2.20	-66.66
CC(CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025344225	0	54	0.0	-74.35	428.64	2.83	-71.52
CN1CCOCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344242	0	53	0.0	-79.98	422.55	0.65	-79.33
C[N@@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344242	1	53	0.0	-69.37	414.75	0.48	-68.89
C[N@H+]1CCOCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344242	1	53	0.0	-69.37	414.75	0.48	-68.89
CC1(O)CC[N@H+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344289	0	53	0.0	-72.12	427.87	-0.77	-72.89
C[NH+]1CC(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344310	0	49	0.0	-74.54	402.42	1.58	-72.96
C[N@H+](CCO)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344332	0	52	0.0	-72.66	422.20	-1.20	-73.86
C[N@@H+](CCO)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344332	1	52	0.0	-72.66	422.20	-1.20	-73.86
C[N@@H+]1CCCCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344343	0	55	0.0	-69.82	426.62	3.80	-66.02
C[N@H+]1CCCCC1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344343	1	55	0.0	-69.82	426.62	3.80	-66.02
CC1CCN1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344354	0	49	0.0	-69.86	397.09	1.62	-68.24
CC1CC[N@@H+]1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344354	1	49	0.0	-69.74	397.07	1.63	-68.11
CC1CC[N@H+]1CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344354	1	49	0.0	-69.74	397.07	1.63	-68.11
C[NH+](C)CC=CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344358	0	49	0.0	-76.98	408.16	2.02	-74.96
CC1(C)CN(CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344362	0	52	0.0	-71.93	422.24	2.41	-69.52
CC1(C)C[NH+](CC(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344362	1	52	0.0	-71.93	422.24	2.41	-69.52
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[N@H+]1CCCC1CO	REAL300025344393	0	53	0.0	-71.11	426.21	-0.64	-71.75
CC[NH+](CC)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344395	0	51	0.0	-70.06	402.46	1.89	-68.17
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CN1CCC1	REAL300025344404	0	46	0.0	-71.79	381.92	1.26	-70.53
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C[NH+]1CCC1	REAL300025344404	1	46	0.0	-71.79	381.92	1.26	-70.53
CC[NH+](CC)CCC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344426	0	54	0.0	-73.95	424.95	2.52	-71.43
CCC(CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025344469	0	57	0.0	-74.77	443.53	3.57	-71.20
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344494	0	52	0.0	-69.11	412.41	2.38	-66.73
C[NH+](C)CC(O)CC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025344510	0	52	0.0	-77.85	424.03	-0.19	-78.04
C=CCC(C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025344530	0	52	0.0	-72.33	417.33	2.37	-69.96
NC(=[NH2+])SCC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025344556	0	43	0.0	-76.61	379.82	-2.24	-78.85
C[NH+](C)CCC1(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025344579	0	55	0.0	-65.09	436.06	4.99	-60.10
C[N@@H+]1CC=CCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025344580	0	53	0.0	-67.78	417.53	2.87	-64.91
C[N@H+]1CC=CCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025344580	1	53	0.0	-67.78	417.53	2.87	-64.91
CCC1C[NH+](CC(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344661	1	52	0.0	-74.54	423.96	2.68	-71.86
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025344666	1	49	0.0	-70.63	391.26	1.44	-69.19
O=C(C[NH+]1CCCCC1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025344683	0	52	0.0	-72.53	413.03	2.73	-69.80
CC1C(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025344688	0	52	0.0	-75.99	413.65	2.22	-73.77
CC1C(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025344688	1	52	0.0	-73.99	412.53	2.06	-71.93
CN1CCOCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025344716	0	53	0.0	-81.32	422.25	0.67	-80.65
C[N@@H+]1CCOCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025344716	1	53	0.0	-67.21	414.75	0.49	-66.72
C[N@H+]1CCOCC1CC(=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025344716	1	53	0.0	-81.32	422.25	0.67	-80.65
CCOCC(N=[N+]=[N-])C(=O)NC[C@H]1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025344723	0	49	0.0	-24.88	423.57	-2.72	-27.60
C[N@@H+]1CCCC1C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344868	0	55	0.0	-74.65	443.80	2.82	-71.83
C[N@H+]1CCCC1C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344868	1	55	0.0	-74.82	443.83	2.85	-71.97
CCC(C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025344968	0	57	0.0	-72.34	454.52	3.37	-68.97
CCC[N@H+](C)CC(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344973	0	57	0.0	-75.55	463.10	3.78	-71.77
CCC[N@@H+](C)CC(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344973	1	57	0.0	-75.59	463.10	3.78	-71.81
C[N@@H+]1CCC[C@@H]1C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344981	0	55	0.0	-74.62	443.85	2.92	-71.70
C[N@H+]1CCC[C@@H]1C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344981	1	55	0.0	-72.49	450.14	3.44	-69.05
CC[NH+](CC)CC(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025344986	0	57	0.0	-73.89	459.97	3.73	-70.16
CC[N@H+](C)CCC(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345042	0	57	0.0	-77.53	463.96	3.57	-73.96
CC[N@@H+](C)CCC(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345042	1	57	0.0	-77.50	463.96	3.58	-73.92
CC[C@@H](C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025345045	0	57	0.0	-72.40	454.47	3.28	-69.12
C[NH+](C)CC(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345063	0	51	0.0	-75.86	423.87	2.37	-73.49
CC(C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025345067	1	55	0.0	-74.22	453.83	3.21	-71.01
C[N@@H+](CC(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025345073	1	55	0.0	-73.19	453.27	3.77	-69.42
C[NH+]1CC(CC(=O)NCCCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025345079	0	55	0.0	-76.83	455.31	3.19	-73.64
C[C@@H](C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025345086	0	54	0.0	-74.23	441.96	2.76	-71.47
[N-]=[N+]=NCC(=O)NCCCCC1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025345089	0	45	0.0	-26.28	400.79	-2.12	-28.40
C[C@@H](C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025345107	0	54	0.0	-74.23	441.96	2.76	-71.47
O=C(C[NH+]1CCC1)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345125	1	52	0.0	-75.88	433.92	2.70	-73.18
C[C@H](C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025345136	0	54	0.0	-74.14	441.96	2.70	-71.44
CC1C[NH+](CC(=O)NCCCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025345142	1	55	0.0	-75.84	455.09	3.37	-72.47
CC[N@H+](C)CC(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345159	0	54	0.0	-75.19	441.60	3.04	-72.15
CC[N@@H+](C)CC(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345159	1	54	0.0	-75.19	441.60	3.04	-72.15
C[NH+](C)CC=CC(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345175	0	55	0.0	-80.49	459.83	3.58	-76.91
CC[N@@H+]1CCC1C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345181	1	55	0.0	-73.20	448.57	3.10	-70.10
CC[N@H+]1CCC1C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345181	1	55	0.0	-74.80	455.44	3.30	-71.50
C[NH+](C)C(C)(C)C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345194	0	57	0.0	-79.27	451.11	3.56	-75.71
C[NH+](C)C1(C(=O)NCCCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025345216	0	55	0.0	-80.33	446.26	3.98	-76.35
CC(C[NH+](C)C)C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345238	0	57	0.0	-77.35	462.27	3.65	-73.70
CC1CC[N@@H+]1CC(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345247	1	55	0.0	-73.57	449.58	3.09	-70.48
CC1CC[N@H+]1CC(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345247	1	55	0.0	-74.51	455.11	3.46	-71.05
C[N@@H+]1CCCC1C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345356	0	55	0.0	-71.51	442.94	2.84	-68.67
C[N@H+]1CCCC1C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345356	1	55	0.0	-69.61	447.39	3.30	-66.31
CCC(C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025345427	0	57	0.0	-71.31	456.79	3.45	-67.86
CCC[N@H+](C)CC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345431	0	57	0.0	-72.12	463.06	3.70	-68.42
CCC[N@@H+](C)CC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345431	1	57	0.0	-72.18	463.06	3.69	-68.49
CC[N@H+](C)CCC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345448	0	57	0.0	-74.78	463.92	3.50	-71.28
CC[N@@H+](C)CCC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345448	1	57	0.0	-74.77	463.92	3.51	-71.26
CC[C@@H](C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025345488	0	57	0.0	-69.23	454.15	3.28	-65.95
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345534	0	55	0.0	-71.21	442.80	2.75	-68.46
C[N@H+]1CCC[C@@H]1C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345534	1	55	0.0	-69.79	449.23	3.29	-66.50
C[C@@H](C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025345588	0	54	0.0	-70.80	441.25	2.71	-68.09
CC1C[NH+](CC(=O)N2CC(CCCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025345612	1	55	0.0	-72.25	455.15	3.43	-68.82
CC[N@H+](C)CC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345630	0	54	0.0	-71.72	441.58	3.01	-68.71
CC[N@@H+](C)CC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345630	1	54	0.0	-71.88	441.56	2.94	-68.94
CC(C[NH+](C)C)C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345660	0	57	0.0	-74.81	459.95	3.32	-71.49
C[NH+](C)C1(C(=O)N2CC(CCCCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025345663	0	55	0.0	-75.55	449.28	3.26	-72.29
C[C@H](C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025345667	0	54	0.0	-70.94	441.44	2.66	-68.28
CC[N@@H+]1CCC1C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345670	0	55	0.0	-71.92	455.48	3.32	-68.60
CC[N@H+]1CCC1C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345670	1	55	0.0	-71.66	455.41	3.38	-68.28
C[NH+](C)C(C)(C)C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345678	0	57	0.0	-75.90	446.88	3.26	-72.64
[N-]=[N+]=NCC(=O)N1CC(CCCCNC(=O)CSC2=NC(=O)NN2)C1	REAL300025345724	0	45	0.0	-26.41	400.83	-2.06	-28.47
C[N@@H+]1CCC[C@H]1C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345737	0	55	0.0	-69.80	446.59	3.19	-66.61
C[N@H+]1CCC[C@H]1C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345737	1	55	0.0	-71.26	442.87	2.75	-68.51
C[N@H+](CC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025345774	0	55	0.0	-69.77	453.25	3.70	-66.07
C[N@@H+](CC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025345774	1	55	0.0	-69.64	453.29	3.75	-65.89
C[NH+]1CC(CC(=O)N2CC(CCCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025345802	0	55	0.0	-74.93	455.12	3.10	-71.83
C[NH+](C)CC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345805	0	51	0.0	-72.49	423.85	2.35	-70.14
C[C@@H](C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025345808	0	54	0.0	-70.80	441.25	2.71	-68.09
CC1CC[N@@H+]1CC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345815	0	55	0.0	-70.19	449.58	3.15	-67.04
CC1CC[N@H+]1CC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345815	1	55	0.0	-70.35	449.61	3.10	-67.25
C[NH+](C)CC=CC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345816	0	55	0.0	-78.43	460.86	3.58	-74.85
CC[NH+](CC)CC(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345822	0	57	0.0	-70.51	455.28	3.34	-67.17
O=C(CSC1=NNC(=O)[N-]1)NCCCCC1CN(C(=O)C[NH+]2CCC2)C1	REAL300025345823	1	52	0.0	-72.40	434.03	2.79	-69.61
CC(C(=O)N1CC(CCCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025345845	0	55	0.0	-71.36	445.79	3.01	-68.35
C[N@@H+]1CCC[C@H]1C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345913	0	55	0.0	-72.34	449.92	3.40	-68.94
C[N@H+]1CCC[C@H]1C(=O)NCCCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025345913	1	55	0.0	-75.15	443.89	2.92	-72.23
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025346028	0	52	0.0	-73.80	409.77	2.87	-70.93
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2)[NH+](C)C	REAL300025346033	0	55	0.0	-71.29	427.97	3.27	-68.02
[N-]=[N+]=NCC(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)CC12CCC2	REAL300025346036	0	46	0.0	-22.83	386.73	-1.53	-24.36
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2)[NH+](C)C	REAL300025346043	0	55	0.0	-71.29	427.97	3.27	-68.02
C[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2)[NH+](C)C	REAL300025346055	0	55	0.0	-71.93	428.00	3.28	-68.65
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025346064	0	55	0.0	-73.09	427.50	3.55	-69.54
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300025346064	1	55	0.0	-73.19	427.50	3.54	-69.65
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1)[NH+](C)C	REAL300025346202	0	55	0.0	-67.63	426.54	3.17	-64.46
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025346221	0	55	0.0	-69.40	427.51	3.44	-65.96
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025346221	1	55	0.0	-69.49	427.51	3.45	-66.04
C[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1)[NH+](C)C	REAL300025346234	0	55	0.0	-67.56	426.06	3.11	-64.45
[N-]=[N+]=NCC(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)C2(CCC2)C1	REAL300025346259	0	46	0.0	-22.82	386.74	-1.63	-24.45
C[NH+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300025346290	0	52	0.0	-70.41	409.81	2.77	-67.64
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1)[NH+](C)C	REAL300025346293	0	55	0.0	-67.63	426.54	3.17	-64.46
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC2)CC12CCC2	REAL300025346300	1	53	0.0	-69.72	420.13	3.23	-66.49
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1CC[C@@H](NC(=O)C2CCC[N@@H+]2C)CC1	REAL300025346436	0	55	0.0	-71.85	427.67	3.72	-68.13
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1CC[C@@H](NC(=O)C2CCC[N@H+]2C)CC1	REAL300025346436	1	55	0.0	-66.85	419.12	3.31	-63.54
CCC(C(=O)N[C@H]1CC[C@@H](N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025346536	0	57	0.0	-73.49	433.94	3.81	-69.68
CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025346541	0	57	0.0	-71.32	433.28	3.66	-67.66
CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025346541	1	57	0.0	-75.65	440.56	4.06	-71.59
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1	REAL300025346549	0	55	0.0	-66.71	420.33	3.34	-63.37
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CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1CC[C@@H](NC(=O)C[NH+]2CCC2)CC1	REAL300025346693	1	52	0.0	-69.69	404.35	2.74	-66.95
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CC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025346727	0	54	0.0	-75.17	419.05	3.33	-71.84
CC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025346727	1	54	0.0	-75.08	419.06	3.33	-71.75
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CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CC2)CC1	REAL300025346784	0	55	0.0	-78.85	425.37	3.57	-75.28
CC(C[NH+](C)C)C(=O)N[C@H]1CC[C@@H](N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025346806	0	57	0.0	-73.34	432.45	3.53	-69.81
CC1CC[N@@H+]1CC(=O)N[C@H]1CC[C@@H](N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025346815	1	55	0.0	-73.14	427.64	3.55	-69.59
CC1CC[N@H+]1CC(=O)N[C@H]1CC[C@@H](N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025346815	1	55	0.0	-69.55	419.82	3.06	-66.49
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CN(C(=O)C1CCC[N@H+]1C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025346924	1	55	0.0	-69.12	418.04	3.02	-66.10
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CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025346998	0	57	0.0	-73.51	433.28	3.58	-69.93
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CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347014	0	57	0.0	-72.52	441.42	3.85	-68.67
CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347014	1	57	0.0	-72.60	441.42	3.83	-68.77
CC[C@@H](C(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025347039	0	57	0.0	-67.54	427.57	3.47	-64.07
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CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347076	1	55	0.0	-70.95	420.20	3.10	-67.85
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CC1C[NH+](CC(=O)N(C)[C@H]2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025347144	1	55	0.0	-73.01	424.15	3.32	-69.69
CC[N@H+](C)CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347160	0	54	0.0	-73.31	411.78	2.82	-70.49
CC[N@@H+](C)CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347160	1	54	0.0	-73.29	411.78	2.83	-70.46
CC(C[NH+](C)C)C(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347185	0	57	0.0	-73.41	428.43	3.24	-70.17
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CC[N@@H+]1CCC1C(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347192	1	55	0.0	-69.87	417.71	2.90	-66.97
CC[N@H+]1CCC1C(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347192	1	55	0.0	-71.69	425.24	3.16	-68.53
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CN(C(=O)C[N@@H+](C)C1CC1)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347278	1	55	0.0	-68.11	430.61	3.98	-64.13
CN(C(=O)CC1C[NH+](C)C1)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347302	0	55	0.0	-73.17	425.34	3.04	-70.13
CN(C(=O)C[NH+](C)C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347305	0	51	0.0	-73.86	394.05	2.16	-71.70
C[C@@H](C(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025347308	0	54	0.0	-72.65	407.20	1.97	-70.68
CC1CC[N@@H+]1CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347313	1	55	0.0	-70.33	419.83	2.99	-67.34
CC1CC[N@H+]1CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347313	1	55	0.0	-68.64	427.13	3.40	-65.24
CN(C(=O)C=CC[NH+](C)C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347314	0	55	0.0	-75.59	429.28	3.40	-72.19
CC[NH+](CC)CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347320	0	57	0.0	-71.51	424.54	3.22	-68.29
CN(C(=O)C[NH+]1CCC1)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347321	1	52	0.0	-71.18	411.44	2.99	-68.19
CC(C(=O)N(C)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025347338	1	55	0.0	-69.83	419.12	3.01	-66.82
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1	REAL300025347397	0	55	0.0	-67.78	413.36	2.80	-64.98
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1	REAL300025347397	1	55	0.0	-67.72	419.75	3.21	-64.51
C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347524	0	53	0.0	-67.34	415.73	2.85	-64.49
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347524	1	53	0.0	-69.83	409.89	2.41	-67.42
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300025347618	0	55	0.0	-68.22	420.51	2.89	-65.33
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347622	0	55	0.0	-71.38	429.34	3.30	-68.08
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347622	1	55	0.0	-74.28	426.37	3.70	-70.58
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347628	0	53	0.0	-69.92	409.87	2.40	-67.52
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347628	1	53	0.0	-67.72	415.14	2.95	-64.77
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347631	0	55	0.0	-69.53	421.20	2.97	-66.56
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347673	0	55	0.0	-71.64	430.12	3.08	-68.56
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347673	1	55	0.0	-71.61	430.12	3.10	-68.51
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300025347676	0	55	0.0	-68.03	418.40	3.03	-65.00
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347691	0	49	0.0	-71.75	389.96	1.88	-69.87
CC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+]1CCC1	REAL300025347695	1	53	0.0	-70.94	415.34	3.37	-67.57
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2)C1CC1	REAL300025347702	0	53	0.0	-68.35	419.24	3.27	-65.08
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2)C1CC1	REAL300025347702	1	53	0.0	-68.84	419.37	3.27	-65.57
C[NH+]1CC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C23CCC3)C1	REAL300025347707	0	53	0.0	-71.00	421.41	2.69	-68.31
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300025347714	0	52	0.0	-69.33	407.85	2.29	-67.04
[N-]=[N+]=NCC(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)C12CCC2	REAL300025347717	0	43	0.0	-21.36	366.94	-2.54	-23.90
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300025347733	0	52	0.0	-69.33	407.85	2.29	-67.04
C[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300025347757	0	52	0.0	-69.29	408.15	2.30	-66.99
CC1C[NH+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C23CCC3)C1	REAL300025347764	1	53	0.0	-71.16	421.20	2.97	-68.19
C[N@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347774	1	53	0.0	-74.41	415.23	-0.27	-74.68
C[N@@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347774	1	53	0.0	-71.09	418.14	-0.65	-71.74
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347779	0	52	0.0	-70.93	407.84	2.55	-68.38
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347779	1	52	0.0	-73.83	404.87	2.96	-70.87
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CC[N@@H+]1CCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347799	1	53	0.0	-71.63	408.05	2.79	-68.84
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CC1CC[N@H+]1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025347852	1	53	0.0	-69.70	421.36	2.96	-66.74
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CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348041	0	55	0.0	-72.12	429.16	3.24	-68.88
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348041	1	55	0.0	-72.08	429.16	3.24	-68.84
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348057	0	55	0.0	-72.96	430.12	3.06	-69.90
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348057	1	55	0.0	-72.93	430.13	3.07	-69.86
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300025348083	0	55	0.0	-72.40	412.54	2.97	-69.43
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348120	0	53	0.0	-70.36	408.24	2.31	-68.05
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348120	1	53	0.0	-72.44	409.09	3.12	-69.32
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300025348165	0	52	0.0	-74.07	400.34	2.40	-71.67
C[N@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348175	1	53	0.0	-72.42	418.01	-0.75	-73.17
C[N@@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348175	1	53	0.0	-71.89	418.02	-0.72	-72.61
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C23CCC3)C1	REAL300025348191	1	53	0.0	-71.85	421.20	2.93	-68.92
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348207	0	52	0.0	-71.19	407.58	2.48	-68.71
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348207	1	52	0.0	-71.70	407.66	2.50	-69.20
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348234	0	55	0.0	-71.49	419.67	3.27	-68.22
C[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300025348238	0	52	0.0	-73.04	403.08	2.59	-70.45
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348241	1	53	0.0	-69.07	414.41	2.54	-66.53
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348241	1	53	0.0	-68.59	413.06	2.38	-66.21
[N-]=[N+]=NCC(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)C12CCC2	REAL300025348291	0	43	0.0	-24.60	363.83	-2.19	-26.79
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348300	0	53	0.0	-68.32	411.42	2.68	-65.64
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348300	1	53	0.0	-69.55	408.49	2.32	-67.23
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)C1CC1	REAL300025348330	0	53	0.0	-69.08	419.29	3.22	-65.86
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)C1CC1	REAL300025348330	1	53	0.0	-73.84	416.28	3.61	-70.23
C[NH+]1CC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C23CCC3)C1	REAL300025348354	0	53	0.0	-76.44	418.31	3.05	-73.39
C[NH+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348357	0	49	0.0	-76.95	386.87	2.20	-74.75
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+](C)C	REAL300025348360	0	52	0.0	-74.07	400.34	2.40	-71.67
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348367	1	53	0.0	-69.06	415.68	2.63	-66.43
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348367	1	53	0.0	-70.02	421.30	2.89	-67.13
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348368	0	53	0.0	-79.68	422.86	3.44	-76.24
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348374	0	55	0.0	-74.66	422.09	3.51	-71.15
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC2)C12CCC2	REAL300025348375	1	50	0.0	-71.93	400.22	2.31	-69.62
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2)[NH+]1CCC1	REAL300025348393	1	53	0.0	-73.45	409.73	2.94	-70.51
NC(=[NH2+])SCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348424	0	47	0.0	-71.48	397.88	-1.17	-72.65
C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348452	0	53	0.0	-67.72	415.20	2.95	-64.77
C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300025348452	1	53	0.0	-69.97	409.97	2.41	-67.56
C[N@@H+]1CCCC1C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025348661	0	46	0.0	-70.80	390.98	0.98	-69.82
C[N@H+]1CCCC1C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025348661	1	46	0.0	-73.47	385.45	0.65	-72.82
C[N@@H+]1CCOC(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025348685	1	47	0.0	-81.90	402.29	0.49	-81.41
C[N@H+]1CCOC(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025348685	1	47	0.0	-82.14	402.66	0.59	-81.55
CC1=[NH+]C=CN1CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025348842	1	44	0.0	-70.94	394.88	1.72	-69.22
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2C[NH+]3CCC2CC3)C1	REAL300025348858	0	50	0.0	-77.71	406.28	1.93	-75.78
C[C@@H]1[C@H](C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025348881	0	49	0.0	-75.76	401.44	1.01	-74.75
C[C@@H]1[C@H](C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025348881	1	49	0.0	-74.72	407.80	1.38	-73.34
C[NH+](C)C1(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025348930	0	49	0.0	-74.53	397.83	1.59	-72.94
CC(C)[C@@H](C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025348933	0	51	0.0	-72.71	414.55	2.26	-70.45
C[N@H+](CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025348948	0	49	0.0	-72.39	411.58	2.09	-70.30
C[N@@H+](CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025348948	1	49	0.0	-72.63	411.72	2.10	-70.53
C[NH+]1CCC(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025349006	0	49	0.0	-76.45	410.04	1.77	-74.68
C[N@@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349025	1	49	0.0	-71.68	397.93	1.55	-70.13
C[N@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349025	1	49	0.0	-72.24	398.11	1.53	-70.71
CC1=C[NH+]=CN1CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349072	1	44	0.0	-73.78	394.20	2.40	-71.38
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C23CCC[NH+]2CCC3)C1	REAL300025349086	0	50	0.0	-72.00	409.88	2.02	-69.98
C[N@@H+]1CCC(CC(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025349089	0	49	0.0	-75.30	412.47	1.68	-73.62
C[N@H+]1CCC(CC(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025349089	1	49	0.0	-75.70	411.74	1.72	-73.98
CCC(C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025349094	0	48	0.0	-72.08	395.89	1.11	-70.97
C[NH+](C)CCCCC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349130	0	51	0.0	-75.64	430.84	2.24	-73.40
CC(C)C(C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025349137	0	51	0.0	-72.13	415.64	2.13	-70.00
CCC[N@H+](C)CCC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349138	0	51	0.0	-75.79	427.07	2.06	-73.73
CCC[N@@H+](C)CCC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349138	1	51	0.0	-75.81	427.07	2.06	-73.75
CCC[N@H+](C)CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349139	0	48	0.0	-74.48	404.71	1.51	-72.97
CCC[N@@H+](C)CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349139	1	48	0.0	-74.45	404.71	1.51	-72.94
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025349146	0	50	0.0	-77.96	406.32	1.42	-76.54
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025349146	1	50	0.0	-74.45	407.16	1.35	-73.10
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349164	0	46	0.0	-72.72	385.33	0.68	-72.04
C[N@H+]1CCC[C@@H]1C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349164	1	46	0.0	-71.08	390.39	1.18	-69.90
CC[NH+](CC)CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349188	0	48	0.0	-72.45	401.58	1.47	-70.98
C[NH+](C)CC1(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025349253	0	49	0.0	-75.94	416.71	1.91	-74.03
C[NH+]1CCC(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025349294	0	49	0.0	-76.45	410.04	1.77	-74.68
CC(C)[C@H](C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025349309	0	51	0.0	-71.81	412.58	2.41	-69.40
CC[N@H+](C)CCC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349362	0	48	0.0	-75.01	405.58	1.33	-73.68
CC[N@@H+](C)CCC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349362	1	48	0.0	-75.08	405.58	1.32	-73.76
CC1CCC[N@@H+]1CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349382	0	49	0.0	-70.99	403.59	1.43	-69.56
CC1CCC[N@H+]1CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349382	1	49	0.0	-71.11	403.96	1.42	-69.69
CC1CC[N@H+](CC(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025349383	0	49	0.0	-73.66	411.05	1.84	-71.82
CC1CC[N@@H+](CC(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025349383	1	49	0.0	-73.56	410.90	1.78	-71.78
CC[C@@H](C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025349388	0	48	0.0	-72.75	399.73	1.69	-71.06
C[NH+](C)CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349448	0	42	0.0	-74.76	365.48	0.10	-74.66
CN1C=C[N+](CC(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025349451	0	44	0.0	-72.01	396.71	3.61	-68.40
C[N@@H+]1CCCC(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025349454	0	49	0.0	-74.13	410.04	1.72	-72.41
C[N@H+]1CCCC(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025349454	1	49	0.0	-69.22	403.63	1.96	-67.26
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025349459	0	50	0.0	-71.70	415.72	1.97	-69.73
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025349459	1	50	0.0	-69.09	417.79	2.48	-66.61
C[NH+](C)CC(C)(C)C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349477	0	51	0.0	-73.41	414.62	1.97	-71.44
C[N@H+](CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025349485	0	46	0.0	-71.69	394.75	1.51	-70.18
C[N@@H+](CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025349485	1	46	0.0	-71.67	394.75	1.51	-70.16
C[NH+]1CC(CC(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025349498	0	46	0.0	-74.58	396.90	0.93	-73.65
C[C@@H](C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025349515	0	45	0.0	-72.92	383.59	0.50	-72.42
[N-]=[N+]=NCC(=O)NCC1(F)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025349522	0	36	0.0	-25.40	342.45	-4.30	-29.70
C[N@H+](CCO)CCC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349562	0	49	0.0	-75.01	415.93	-1.91	-76.92
C[N@@H+](CCO)CCC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349562	1	49	0.0	-74.72	415.88	-1.91	-76.63
C[C@@H](C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025349563	0	45	0.0	-72.92	383.59	0.50	-72.42
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349566	1	49	0.0	-71.70	397.95	1.55	-70.15
C[N@H+]1CCCC[C@@H]1C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349566	1	49	0.0	-70.89	407.43	1.69	-69.20
C[N@@H+]1CCC(=CC(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025349614	0	47	0.0	-76.86	404.33	1.65	-75.21
C[N@H+]1CCC(=CC(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025349614	1	47	0.0	-77.04	403.36	1.68	-75.36
C[NH+](C)CCOCC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349629	0	49	0.0	-73.96	421.35	1.17	-72.79
CN(CCO)CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349679	0	46	0.0	-74.86	393.57	-2.47	-77.33
C[N@H+](CCO)CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349679	1	46	0.0	-74.38	393.35	-2.47	-76.85
C[N@@H+](CCO)CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349679	1	46	0.0	-74.38	393.35	-2.47	-76.85
CC(CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025349694	0	51	0.0	-75.28	422.67	2.10	-73.18
CC[N@H+](C)CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349697	0	45	0.0	-74.04	383.21	0.78	-73.26
CC[N@H+](CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025349717	0	49	0.0	-71.42	411.86	2.13	-69.29
CC[NH+](CC)CCC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349724	0	51	0.0	-74.09	423.43	2.04	-72.05
C[NH+](C)CC=CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349748	0	46	0.0	-77.33	401.45	1.32	-76.01
COCCN(C)CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349761	0	49	0.0	-74.25	415.60	-0.07	-74.32
COCC[N@H+](C)CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349761	1	49	0.0	-74.98	415.82	-0.06	-75.04
COCC[N@@H+](C)CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349761	1	49	0.0	-74.98	415.82	-0.06	-75.04
CC(CCC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025349778	0	51	0.0	-73.62	422.84	1.86	-71.76
C=CCC(C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025349817	0	49	0.0	-72.43	412.10	1.77	-70.66
O=C(CN1CC2CC2C1)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349828	0	47	0.0	-74.20	400.87	1.99	-72.21
O=C(C[NH+]1CC2CC2C1)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349828	1	47	0.0	-74.20	400.87	1.99	-72.21
CCCC(C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025349838	0	51	0.0	-72.96	417.39	1.88	-71.08
C[NH+](C)C(C)(C)C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349841	0	48	0.0	-74.98	392.72	1.29	-73.69
CN1CCCCC1C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349857	0	49	0.0	-71.68	397.93	1.55	-70.13
C[N@@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349857	1	49	0.0	-72.24	398.11	1.53	-70.71
C[N@H+]1CCCCC1C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349857	1	49	0.0	-72.24	398.11	1.53	-70.71
C[N@H+]1CC=C(CC(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025349874	0	50	0.0	-72.46	424.45	2.45	-70.01
C[N@@H+]1CC=C(CC(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025349874	1	50	0.0	-72.46	424.45	2.45	-70.01
O=C(C=CC[NH+]1CCCC1)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349901	0	50	0.0	-76.05	426.04	2.38	-73.67
O=C(CC[NH+]1CCCC1)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349923	0	49	0.0	-75.01	413.08	1.78	-73.23
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2C[NH+]3CCN2CC3)C1	REAL300025349940	0	49	0.0	-78.88	401.21	-1.46	-80.34
CN1CC2CC1(C(=O)NCC1(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025349944	0	47	0.0	-73.59	397.53	1.17	-72.42
C[N@@H+]1CC2CC1(C(=O)NCC1(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025349944	1	47	0.0	-74.17	395.46	1.38	-72.79
C[N@H+]1CC2CC1(C(=O)NCC1(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025349944	1	47	0.0	-74.17	395.46	1.38	-72.79
O=C(C[N@@H+]1CC2CCC1C2)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025349949	0	50	0.0	-71.65	409.62	1.94	-69.71
CC(C[NH+](C)C)C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350001	0	48	0.0	-70.75	403.13	1.50	-69.25
CC(C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300025350040	0	49	0.0	-71.47	414.68	1.80	-69.67
CC(C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025350040	1	49	0.0	-71.47	414.68	1.80	-69.67
C[NH+](C)CC(O)CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350043	0	49	0.0	-78.08	418.18	-0.89	-78.97
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025350093	0	49	0.0	-74.37	415.04	1.84	-72.53
CC(CC[NH+](C)C)C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350096	0	51	0.0	-74.98	425.50	2.00	-72.98
C[N@@H+]1CCCC1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350278	0	46	0.0	-68.93	390.20	0.92	-68.01
C[N@H+]1CCCC1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350278	1	46	0.0	-70.56	384.36	0.51	-70.05
C[N@@H+]1CCOC(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025350304	1	47	0.0	-83.83	400.41	0.42	-83.41
C[N@H+]1CCOC(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025350304	1	47	0.0	-77.62	393.49	0.18	-77.44
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300025350456	0	50	0.0	-67.96	405.31	1.64	-66.32
C[N@@H+]1CCC(CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025350471	0	49	0.0	-75.07	411.31	1.62	-73.45
C[N@H+]1CCC(CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025350471	1	49	0.0	-75.84	411.62	1.62	-74.22
CCC(C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025350476	0	48	0.0	-71.35	396.83	1.16	-70.19
C[NH+](C)CCCCC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350504	0	51	0.0	-75.49	430.84	2.23	-73.26
CC(C)C(C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025350513	0	51	0.0	-70.30	411.13	1.94	-68.36
CCC[N@H+](C)CCC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350514	0	51	0.0	-74.99	426.50	2.02	-72.97
CCC[N@@H+](C)CCC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350514	1	51	0.0	-74.88	427.08	2.04	-72.84
CCC[N@H+](C)CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350515	0	48	0.0	-72.27	404.51	1.44	-70.83
CCC[N@@H+](C)CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350515	1	48	0.0	-72.29	404.53	1.51	-70.78
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025350522	0	50	0.0	-79.00	401.10	1.05	-77.95
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025350522	1	50	0.0	-82.76	399.80	1.07	-81.69
C[NH+](C)CC1(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025350575	0	49	0.0	-75.05	415.86	1.74	-73.31
CC[N@H+](C)CCC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350591	0	48	0.0	-74.14	405.58	1.31	-72.83
CC[N@@H+](C)CCC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350591	1	48	0.0	-74.19	405.00	1.27	-72.92
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300025350601	0	50	0.0	-76.63	403.61	1.67	-74.96
C[NH+]1CCC(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025350633	0	49	0.0	-76.78	404.88	1.48	-75.30
CC(C)[C@H](C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025350648	0	51	0.0	-69.10	408.49	1.55	-67.55
C[NH+](C)C1(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025350699	0	49	0.0	-74.74	395.69	1.30	-73.44
CC1CCC[N@@H+]1CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350733	0	49	0.0	-68.80	403.98	1.38	-67.42
CC1CCC[N@H+]1CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350733	1	49	0.0	-68.81	403.56	1.41	-67.40
CC(C)[C@@H](C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025350758	0	51	0.0	-70.33	410.93	1.96	-68.37
CC1CC[N@H+](CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025350767	0	49	0.0	-70.90	411.45	1.67	-69.23
CC1CC[N@@H+](CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025350767	1	49	0.0	-71.41	410.62	1.77	-69.64
CC[C@@H](C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025350772	0	48	0.0	-71.41	397.19	1.22	-70.19
CC1=[NH+]C=CN1CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350840	1	44	0.0	-69.76	394.69	1.62	-68.14
CC1=C[NH+]=CN1CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025350888	1	44	0.0	-71.79	393.96	2.32	-69.47
C[C@@H]1[C@H](C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025350892	0	49	0.0	-73.65	402.52	1.32	-72.33
C[C@@H]1[C@H](C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025350892	1	49	0.0	-74.62	408.09	1.31	-73.31
C[N@H+](CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025350965	0	49	0.0	-70.25	411.58	2.06	-68.19
C[N@@H+](CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025350965	1	49	0.0	-70.24	411.53	2.02	-68.22
C[NH+]1CCC(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025350982	0	49	0.0	-76.78	404.88	1.48	-75.30
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351000	0	46	0.0	-71.93	384.60	0.57	-71.36
C[N@H+]1CCC[C@@H]1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351000	1	46	0.0	-69.66	386.76	0.96	-68.70
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351015	1	48	0.0	-68.87	410.88	1.81	-67.06
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351015	1	48	0.0	-69.83	414.26	2.24	-67.59
C[N@@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351070	0	49	0.0	-69.73	395.32	1.23	-68.50
C[N@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351070	1	49	0.0	-69.74	395.58	1.25	-68.49
CC1C(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025351112	0	49	0.0	-73.70	411.65	1.41	-72.29
CC1C(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025351112	1	49	0.0	-72.93	407.04	1.62	-71.31
C[C@@H](C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025351165	0	45	0.0	-70.58	382.68	0.46	-70.12
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025351185	0	49	0.0	-73.72	413.24	1.78	-71.94
C[N@H+](CCO)CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351190	1	46	0.0	-72.63	393.34	-2.55	-75.18
C[N@@H+](CCO)CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351190	1	46	0.0	-72.82	393.16	-2.54	-75.36
C[N@H+]1CC=C(CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025351231	0	50	0.0	-72.81	424.43	2.35	-70.46
C[N@@H+]1CC=C(CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025351231	1	50	0.0	-71.30	424.19	2.43	-68.87
CC1C[NH+](CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025351267	1	46	0.0	-72.39	396.59	1.20	-71.19
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025351282	0	50	0.0	-69.74	417.04	2.06	-67.68
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025351282	1	50	0.0	-68.98	414.30	1.84	-67.14
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300025351300	0	50	0.0	-75.78	425.70	2.28	-73.50
CC[N@H+](C)CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351332	0	45	0.0	-71.94	383.03	0.69	-71.25
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300025351397	0	49	0.0	-77.91	398.41	-1.68	-79.59
COCCN(C)CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351423	0	49	0.0	-72.67	415.41	-0.13	-72.80
COCC[N@H+](C)CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351423	1	49	0.0	-72.86	415.59	-0.14	-73.00
COCC[N@@H+](C)CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351423	1	49	0.0	-72.86	415.59	-0.14	-73.00
CC(CCC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025351426	0	51	0.0	-75.89	418.75	1.76	-74.13
CC[N@H+](CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025351436	0	49	0.0	-69.30	411.33	2.04	-67.26
C[N@@H+]1CC2CC1(C(=O)N1CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025351456	0	47	0.0	-73.18	388.92	1.35	-71.83
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300025351463	0	50	0.0	-69.07	409.67	1.94	-67.13
CC(C[NH+](C)C)C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351475	0	48	0.0	-73.96	401.27	1.13	-72.83
CCN1CCC1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351499	0	46	0.0	-71.79	397.11	1.05	-70.74
CC[N@@H+]1CCC1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351499	1	46	0.0	-71.56	397.12	1.10	-70.46
CC[N@H+]1CCC1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351499	1	46	0.0	-71.56	397.12	1.10	-70.46
CCCC(C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025351530	0	51	0.0	-71.95	418.33	1.92	-70.03
C[NH+](C)C(C)(C)C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351534	0	48	0.0	-75.35	388.09	1.11	-74.24
CC(CC[NH+](C)C)C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351547	0	51	0.0	-74.24	422.90	1.76	-72.48
C[N@@H+]1CCCCC1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351669	0	49	0.0	-69.74	395.58	1.25	-68.49
C[N@@H+]1CCC(=CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025351719	0	47	0.0	-76.77	403.90	1.65	-75.12
C[N@H+]1CCC(=CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025351719	1	47	0.0	-76.77	403.90	1.65	-75.12
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300025351721	0	45	0.0	-72.69	400.62	-0.68	-73.37
CCC1CN(CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025351767	0	49	0.0	-73.33	417.75	1.92	-71.41
CCC1C[NH+](CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025351767	1	49	0.0	-73.33	417.75	1.92	-71.41
C[N@@H+]1CCC[C@H]1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351774	0	46	0.0	-70.50	384.31	0.50	-70.00
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025351839	0	49	0.0	-74.51	414.85	1.75	-72.76
C[N@@H+]1CC=CCC1CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351845	0	50	0.0	-75.76	416.07	2.17	-73.59
C[N@H+]1CC=CCC1CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351845	1	50	0.0	-75.76	416.07	2.17	-73.59
C[NH+](C)CCOCC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025351867	0	49	0.0	-73.54	421.35	1.19	-72.35
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300025351927	0	49	0.0	-71.54	407.03	1.97	-69.57
C[N@@H+]1CCCC(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025351928	0	49	0.0	-73.67	405.25	1.41	-72.26
C[N@H+]1CCCC(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025351928	1	49	0.0	-68.02	400.75	1.67	-66.35
CN1C=C[N+](CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025351930	0	44	0.0	-70.22	396.49	3.53	-66.69
C[N@@H+](CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025351946	1	46	0.0	-70.06	394.32	1.46	-68.60
CC(CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025351959	0	51	0.0	-74.79	422.55	2.03	-72.76
C[NH+]1CC(CC(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025352045	0	46	0.0	-74.42	396.19	0.87	-73.55
C[NH+](C)CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352054	0	42	0.0	-72.81	365.48	0.08	-72.73
C[N@H+](CCO)CCC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352065	0	49	0.0	-74.19	415.71	-1.98	-76.17
C[N@@H+](CCO)CCC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352065	1	49	0.0	-73.88	415.31	-1.96	-75.84
C[C@@H](C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025352066	0	45	0.0	-70.58	382.68	0.46	-70.12
CC(C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025352088	1	49	0.0	-70.75	416.86	1.70	-69.05
CC1CCN1CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352089	0	46	0.0	-70.77	396.63	1.13	-69.64
CC1CC[N@@H+]1CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352089	1	46	0.0	-70.30	391.08	0.92	-69.38
CC1CC[N@H+]1CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352089	1	46	0.0	-70.77	396.63	1.13	-69.64
C[NH+](C)CC=CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352093	0	46	0.0	-77.13	401.20	1.29	-75.84
CC[NH+](CC)CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352128	0	48	0.0	-70.63	401.58	1.43	-69.20
CC[NH+](CC)CCC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352159	0	51	0.0	-73.53	419.08	1.74	-71.79
CC(C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025352206	1	46	0.0	-71.11	395.53	1.08	-70.03
C[NH+](C)CC(C)(C)C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352215	0	51	0.0	-71.10	406.84	1.54	-69.56
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352241	0	49	0.0	-70.68	393.99	1.19	-69.49
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352241	1	49	0.0	-69.72	407.03	1.68	-68.04
C[NH+](C)CC(O)CC(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352256	0	49	0.0	-77.84	417.96	-0.85	-78.69
C=CCC(C(=O)N1CC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025352274	0	49	0.0	-70.39	408.61	1.51	-68.88
NC(=[NH2+])SCC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352302	0	40	0.0	-75.04	373.40	-2.95	-77.99
C[N@@H+]1CC=CCC1CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352320	0	50	0.0	-76.22	416.51	2.18	-74.04
C[N@H+]1CC=CCC1CC(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352320	1	50	0.0	-69.51	411.23	2.11	-67.40
CCC1CN(CC(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025352387	0	49	0.0	-75.16	418.05	1.99	-73.17
CCC1C[NH+](CC(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025352387	1	49	0.0	-75.16	418.05	1.99	-73.17
C[N@@H+]1CCC[C@H]1C(=O)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352392	0	46	0.0	-73.59	385.54	0.66	-72.93
O=C(CN1CCCCC1)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352403	0	49	0.0	-73.78	407.21	1.97	-71.81
O=C(C[NH+]1CCCCC1)NCC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352403	1	49	0.0	-73.78	407.21	1.97	-71.81
CC1C(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025352407	0	49	0.0	-75.96	402.10	1.13	-74.83
CC1C(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025352407	1	49	0.0	-75.96	402.10	1.13	-74.83
C[N@@H+]1CCCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352577	0	55	0.0	-69.16	438.07	3.01	-66.15
CCC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025352677	0	57	0.0	-68.17	440.82	3.00	-65.17
CCC[N@H+](C)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352682	0	57	0.0	-72.75	451.11	3.36	-69.39
CCC[N@@H+](C)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352682	1	57	0.0	-72.75	451.11	3.36	-69.39
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352690	0	55	0.0	-69.42	437.11	2.98	-66.44
CC[NH+](CC)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352695	0	57	0.0	-71.35	443.16	3.00	-68.35
CC[N@H+](C)CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352751	0	57	0.0	-74.98	451.87	3.15	-71.83
CC[N@@H+](C)CCC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352751	1	57	0.0	-74.98	451.87	3.15	-71.83
CC[C@@H](C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025352754	0	57	0.0	-69.91	442.78	2.89	-67.02
CC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)N1CCC1	REAL300025352776	0	55	0.0	-69.62	439.42	3.02	-66.60
CC(C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025352776	1	55	0.0	-69.62	439.42	3.02	-66.60
C[N@H+](CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025352782	0	55	0.0	-70.38	441.30	3.36	-67.02
C[NH+]1CC(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352788	0	55	0.0	-75.76	443.37	2.75	-73.01
CC1(C)C[C@@H](CNC(=O)CN=[N+]=[N-])N(C(=O)CSC2=NC(=O)NN2)C1	REAL300025352798	0	45	0.0	-24.90	389.05	-2.49	-27.39
CC1(C)C[C@@H](CNC(=O)CN2CCC2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352834	0	52	0.0	-72.77	421.88	2.36	-70.41
CC1(C)C[C@@H](CNC(=O)C[NH+]2CCC2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352834	1	52	0.0	-72.77	421.88	2.36	-70.41
CC1CN(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352851	0	55	0.0	-73.87	441.98	3.12	-70.75
CC1C[NH+](CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352851	1	55	0.0	-73.87	441.98	3.12	-70.75
CC[N@H+](C)CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352868	0	54	0.0	-72.29	429.51	2.61	-69.68
C[NH+](C)CC=CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352884	0	55	0.0	-79.55	449.30	3.16	-76.39
CCN1CCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352890	0	55	0.0	-70.07	436.95	2.60	-67.47
CC[N@@H+]1CCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352890	1	55	0.0	-72.32	443.45	2.93	-69.39
CC[N@H+]1CCC1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352890	1	55	0.0	-72.32	443.45	2.93	-69.39
C[NH+](C)C(C)(C)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352903	0	57	0.0	-76.47	439.55	3.08	-73.39
CC(C[NH+](C)C)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352947	0	57	0.0	-75.01	450.33	3.20	-71.81
CC1CCN1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352956	0	55	0.0	-71.40	443.12	3.06	-68.34
CC1CC[N@@H+]1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352956	1	55	0.0	-71.81	443.13	3.07	-68.74
CC1CC[N@H+]1CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025352956	1	55	0.0	-71.81	443.13	3.07	-68.74
C[N@@H+]1CCCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353065	0	55	0.0	-72.17	429.94	2.37	-69.80
CCC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025353136	0	57	0.0	-68.59	438.12	2.68	-65.91
CCC[N@H+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353139	0	57	0.0	-71.08	451.30	3.27	-67.81
CCC[N@@H+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353139	1	57	0.0	-71.08	451.30	3.27	-67.81
CC[N@H+](C)CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353155	0	57	0.0	-74.05	451.70	3.13	-70.92
CC[N@@H+](C)CCC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353155	1	57	0.0	-73.42	452.16	3.11	-70.31
CC[C@@H](C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025353180	0	57	0.0	-70.70	442.97	2.94	-67.76
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353217	0	55	0.0	-69.66	429.93	2.37	-67.29
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353217	1	55	0.0	-62.29	430.82	3.61	-58.68
C[C@@H](C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025353261	0	54	0.0	-70.16	424.93	2.15	-68.01
CC1C[NH+](CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025353285	1	55	0.0	-72.11	442.17	3.01	-69.10
CC[N@H+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353301	0	54	0.0	-70.73	429.78	2.52	-68.21
CC[N@@H+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353301	1	54	0.0	-70.77	429.78	2.51	-68.26
CC(C[NH+](C)C)C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353326	0	57	0.0	-59.02	443.00	3.84	-55.18
C[C@H](C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025353330	0	54	0.0	-63.55	424.22	3.08	-60.47
CC[N@@H+]1CCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353333	1	55	0.0	-71.08	443.32	2.80	-68.28
CC[N@H+]1CCC1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353333	1	55	0.0	-70.87	442.44	2.79	-68.08
CC1(C)C[C@@H](CNC(=O)CSC2=NC(=O)NN2)N(C(=O)CN=[N+]=[N-])C1	REAL300025353380	0	45	0.0	-24.59	388.52	-2.55	-27.14
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353389	0	55	0.0	-69.02	434.31	2.72	-66.30
C[N@H+]1CCC[C@H]1C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353389	1	55	0.0	-72.08	430.16	2.38	-69.70
C[N@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025353419	0	55	0.0	-67.77	441.36	3.26	-64.51
C[N@@H+](CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025353419	1	55	0.0	-68.03	441.34	3.26	-64.77
C[NH+]1CC(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025353443	0	55	0.0	-72.00	443.48	2.71	-69.29
C[NH+](C)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353446	0	51	0.0	-71.49	412.08	1.86	-69.63
C[C@@H](C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025353449	0	54	0.0	-70.16	424.93	2.15	-68.01
CC1CC[N@@H+]1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353454	1	55	0.0	-69.43	443.39	2.99	-66.44
CC1CC[N@H+]1CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353454	1	55	0.0	-69.58	437.37	2.66	-66.92
C[NH+](C)CC=CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353455	0	55	0.0	-77.46	448.64	3.10	-74.36
CC[NH+](CC)CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025353461	0	57	0.0	-69.52	447.83	3.22	-66.30
CC1(C)C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C[NH+]2CCC2)C1	REAL300025353462	1	52	0.0	-71.26	422.18	2.29	-68.97
CC(C(=O)N1CC(C)(C)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025353479	1	55	0.0	-68.90	436.05	2.62	-66.28
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353538	0	55	0.0	-69.52	437.35	2.89	-66.63
C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353538	1	55	0.0	-73.67	431.77	2.47	-71.20
C[N@@H+]1CCCC1C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353660	0	55	0.0	-68.41	437.56	2.90	-65.51
C[N@H+]1CCCC1C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353660	1	55	0.0	-69.99	438.59	2.97	-67.02
CCC(C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025353760	0	57	0.0	-68.16	442.30	2.95	-65.21
CCC[N@H+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353765	0	57	0.0	-72.78	451.31	3.33	-69.45
CCC[N@@H+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353765	1	57	0.0	-72.85	451.31	3.32	-69.53
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353773	0	55	0.0	-73.99	431.81	2.48	-71.51
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353773	1	55	0.0	-70.02	438.07	3.03	-66.99
CC[NH+](CC)CC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353778	0	57	0.0	-70.64	442.84	3.01	-67.63
CC[N@H+](C)CCC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353834	0	57	0.0	-75.46	452.18	3.12	-72.34
CC[N@@H+](C)CCC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353834	1	57	0.0	-75.37	452.18	3.12	-72.25
CC[C@@H](C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025353837	0	57	0.0	-68.18	442.44	2.97	-65.21
C[NH+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353855	0	51	0.0	-72.89	411.73	1.93	-70.96
CC(C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025353859	1	55	0.0	-69.75	440.08	3.01	-66.74
C[N@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025353865	0	55	0.0	-69.43	440.99	3.33	-66.10
C[N@@H+](CC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025353865	1	55	0.0	-70.54	441.48	3.32	-67.22
C[NH+]1CC(CC(=O)NCC2CC(C)(C)CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025353871	0	55	0.0	-73.65	443.17	2.75	-70.90
C[C@@H](C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025353878	0	54	0.0	-70.22	429.92	2.35	-67.87
CC1(C)CC(CNC(=O)CN=[N+]=[N-])N(C(=O)CSC2=NC(=O)NN2)C1	REAL300025353881	0	45	0.0	-24.46	388.69	-2.47	-26.93
C[C@@H](C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025353899	0	54	0.0	-70.22	429.92	2.35	-67.87
CC1(C)CC(CNC(=O)C[NH+]2CCC2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025353917	1	52	0.0	-73.17	422.18	2.33	-70.84
C[C@H](C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025353928	0	54	0.0	-72.21	430.13	2.38	-69.83
CC1C[NH+](CC(=O)NCC2CC(C)(C)CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025353934	1	55	0.0	-74.02	442.16	3.07	-70.95
CC[N@H+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353951	0	54	0.0	-72.53	429.81	2.58	-69.95
CC[N@@H+](C)CC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353951	1	54	0.0	-72.50	429.81	2.57	-69.93
C[NH+](C)CC=CC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353967	0	55	0.0	-77.78	447.69	3.14	-74.64
CC[N@@H+]1CCC1C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353973	1	55	0.0	-70.92	436.54	2.70	-68.22
CC[N@H+]1CCC1C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353973	1	55	0.0	-72.17	443.95	2.96	-69.21
C[NH+](C)C(C)(C)C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025353986	0	57	0.0	-53.83	429.60	4.14	-49.69
C[NH+](C)C1(C(=O)NCC2CC(C)(C)CN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025354008	0	55	0.0	-57.40	430.77	4.39	-53.01
CC(C[NH+](C)C)C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025354030	0	57	0.0	-69.01	449.74	3.31	-65.70
CC1CC[N@@H+]1CC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025354039	1	55	0.0	-70.60	437.86	2.74	-67.86
CC1CC[N@H+]1CC(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025354039	1	55	0.0	-70.63	438.46	2.80	-67.83
C[N@@H+]1CCCC1C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354148	0	55	0.0	-71.69	431.13	2.34	-69.35
C[N@H+]1CCCC1C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354148	1	55	0.0	-69.22	430.22	2.38	-66.84
CCC(C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025354219	0	57	0.0	-68.14	438.82	2.74	-65.40
CCC[N@H+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354222	0	57	0.0	-71.60	451.11	3.30	-68.30
CCC[N@@H+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354222	1	57	0.0	-71.69	450.83	3.29	-68.40
CC[N@H+](C)CCC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354238	0	57	0.0	-73.43	452.16	3.10	-70.33
CC[N@@H+](C)CCC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354238	1	57	0.0	-73.44	452.18	3.10	-70.34
CC[C@@H](C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025354263	0	57	0.0	-66.90	440.27	2.73	-64.17
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354300	0	55	0.0	-69.36	430.22	2.36	-67.00
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354300	1	55	0.0	-68.37	434.43	2.63	-65.74
C[C@@H](C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025354344	0	54	0.0	-69.68	426.44	2.19	-67.49
CC1C[NH+](CC(=O)N2CC(C)(C)CC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025354368	1	55	0.0	-71.78	442.21	3.03	-68.75
CC[N@H+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354384	0	54	0.0	-71.35	429.59	2.55	-68.80
CC[N@@H+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354384	1	54	0.0	-71.38	429.34	2.55	-68.83
CC(C[NH+](C)C)C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354409	0	57	0.0	-67.48	446.02	2.99	-64.49
C[C@H](C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025354413	0	54	0.0	-63.69	424.37	3.08	-60.61
CC[N@@H+]1CCC1C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354416	1	55	0.0	-68.93	435.73	2.55	-66.38
CC[N@H+]1CCC1C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354416	1	55	0.0	-68.30	435.54	2.52	-65.78
CC1(C)CC(CNC(=O)CSC2=NC(=O)NN2)N(C(=O)CN=[N+]=[N-])C1	REAL300025354463	0	45	0.0	-24.41	389.03	-2.53	-26.94
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354472	0	55	0.0	-61.32	433.27	3.51	-57.81
C[N@H+]1CCC[C@H]1C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354472	1	55	0.0	-68.45	431.31	2.36	-66.09
C[N@H+](CC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025354502	0	55	0.0	-68.11	441.33	3.27	-64.84
C[N@@H+](CC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025354502	1	55	0.0	-68.29	441.70	3.30	-64.99
C[NH+]1CC(CC(=O)N2CC(C)(C)CC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025354526	0	55	0.0	-71.95	443.52	2.72	-69.23
C[NH+](C)CC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354529	0	51	0.0	-71.52	412.07	1.87	-69.65
C[C@@H](C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025354532	0	54	0.0	-69.68	426.44	2.19	-67.49
CC1CC[N@@H+]1CC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354537	1	55	0.0	-69.56	437.51	2.69	-66.87
CC1CC[N@H+]1CC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354537	1	55	0.0	-70.39	443.41	2.94	-67.45
C[NH+](C)CC=CC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354538	0	55	0.0	-76.09	447.35	3.08	-73.01
CC[NH+](CC)CC(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025354544	0	57	0.0	-64.29	442.58	3.94	-60.35
CC1(C)CC(CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C[NH+]2CCC2)C1	REAL300025354545	1	52	0.0	-72.10	422.05	2.35	-69.75
CC(C(=O)N1CC(C)(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025354562	1	55	0.0	-69.12	436.51	2.66	-66.46
C[N@@H+]1CCC[C@H]1C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025354621	0	55	0.0	-69.36	438.13	2.96	-66.40
C[N@H+]1CCC[C@H]1C(=O)NCC1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025354621	1	55	0.0	-70.42	431.75	2.52	-67.90
C[N@@H+]1CCCC1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025354804	0	50	0.0	-61.45	409.52	2.39	-59.06
C[N@H+]1CCCC1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025354804	1	50	0.0	-65.55	408.90	2.53	-63.02
C[N@@H+]1CCOC(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025354828	1	51	0.0	-77.68	420.72	2.04	-75.64
C[N@H+]1CCOC(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025354828	1	51	0.0	-76.55	413.56	1.89	-74.66
CC1=[NH+]C=CN1CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025354967	1	48	0.0	-66.56	412.69	3.36	-63.20
C[C@@H]1[C@H](C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025354986	0	53	0.0	-71.49	420.03	2.73	-68.76
C[C@@H]1[C@H](C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025354986	1	53	0.0	-69.45	425.19	3.27	-66.18
C[NH+](C)C1(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CCC1	REAL300025355007	0	53	0.0	-54.68	414.46	3.11	-51.57
CC(C)[C@@H](C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025355009	0	55	0.0	-61.02	431.47	3.55	-57.47
C[N@H+](CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025355019	0	53	0.0	-67.46	429.35	3.73	-63.73
C[N@@H+](CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025355019	1	53	0.0	-67.70	429.49	3.74	-63.96
C[NH+]1CCC(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025355045	0	53	0.0	-75.43	426.69	3.49	-71.94
C[N@@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355051	0	53	0.0	-70.16	415.05	3.23	-66.93
C[N@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355051	1	53	0.0	-66.14	415.88	3.04	-63.10
CC1=C[NH+]=CN1CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355068	1	48	0.0	-69.24	411.97	4.04	-65.20
C[N@@H+]1CCC(CC(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025355078	0	53	0.0	-71.36	430.03	3.34	-68.02
C[N@H+]1CCC(CC(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025355078	1	53	0.0	-71.73	429.62	3.36	-68.37
CCC(C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025355081	0	52	0.0	-67.71	416.99	3.38	-64.33
C[NH+](C)CCCCC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355095	0	55	0.0	-72.18	448.62	3.89	-68.29
CC(C)C(C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025355099	0	55	0.0	-67.22	426.85	3.19	-64.03
CCC[N@H+](C)CCC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355100	0	55	0.0	-71.35	444.85	3.71	-67.64
CCC[N@@H+](C)CCC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355100	1	55	0.0	-77.12	444.92	3.72	-73.40
CCC[N@H+](C)CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355101	0	52	0.0	-69.47	422.48	3.15	-66.32
CCC[N@@H+](C)CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355101	1	52	0.0	-69.51	422.48	3.15	-66.36
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355116	0	50	0.0	-70.28	403.19	2.13	-68.15
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355116	1	50	0.0	-66.32	409.49	2.83	-63.49
CC[NH+](CC)CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355128	0	52	0.0	-67.58	419.35	3.10	-64.48
C[NH+](C)CC1(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025355182	0	53	0.0	-58.35	435.24	3.31	-55.04
C[NH+]1CCC(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025355206	0	53	0.0	-75.43	426.69	3.49	-71.94
CC(C)[C@H](C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025355221	0	55	0.0	-68.27	426.84	3.14	-65.13
CC[N@H+](C)CCC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355249	0	52	0.0	-76.39	423.42	2.96	-73.43
CC[N@@H+](C)CCC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355249	1	52	0.0	-70.64	423.35	2.97	-67.67
CC1CCC[N@@H+]1CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355260	0	53	0.0	-56.09	429.65	3.23	-52.86
CC1CCC[N@H+]1CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355260	1	53	0.0	-66.25	428.87	3.35	-62.90
CC1CC[N@H+](CC(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025355261	0	53	0.0	-68.39	429.14	3.52	-64.87
CC1CC[N@@H+](CC(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025355261	1	53	0.0	-68.20	428.75	3.45	-64.75
CC[C@@H](C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025355263	0	52	0.0	-65.21	413.65	2.62	-62.59
C[NH+](C)CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355300	0	46	0.0	-69.89	383.26	1.74	-68.15
CN1C=C[N+](CC(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300025355301	0	48	0.0	-67.53	414.48	5.25	-62.28
C[N@@H+]1CCCC(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025355304	0	53	0.0	-70.32	427.79	3.19	-67.13
C[N@H+]1CCCC(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025355304	1	53	0.0	-64.98	421.55	3.58	-61.40
CC(C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025355312	1	50	0.0	-61.42	414.15	2.44	-58.98
C[NH+](C)CC(C)(C)C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355315	0	55	0.0	-68.35	432.36	3.60	-64.75
C[N@H+](CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025355322	0	50	0.0	-72.45	412.59	3.15	-69.30
C[N@@H+](CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025355322	1	50	0.0	-66.79	412.52	3.15	-63.64
C[NH+]1CC(CC(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025355333	0	50	0.0	-70.72	414.70	2.57	-68.15
C[C@@H](C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025355345	0	49	0.0	-62.04	401.99	1.84	-60.20
[N-]=[N+]=NCC(=O)NCC12CC1CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025355352	0	40	0.0	-22.88	360.22	-2.65	-25.53
C[N@H+](CCO)CCC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355384	0	53	0.0	-75.99	433.77	-0.25	-76.24
C[N@@H+](CCO)CCC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355384	1	53	0.0	-70.33	433.65	-0.26	-70.59
C[C@@H](C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025355385	0	49	0.0	-62.04	401.99	1.84	-60.20
C[N@@H+]1CCCC[C@@H]1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355388	0	53	0.0	-67.21	415.92	3.18	-64.03
C[N@H+]1CCCC[C@@H]1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355388	1	53	0.0	-63.91	425.75	3.02	-60.89
C[N@@H+]1CCC(=CC(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025355425	0	51	0.0	-69.49	422.66	2.98	-66.51
C[N@H+]1CCC(=CC(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025355425	1	51	0.0	-73.19	422.19	3.30	-69.89
C[NH+](C)CCOCC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355435	0	53	0.0	-70.29	439.12	2.81	-67.48
C[C@H](C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025355446	0	49	0.0	-64.74	401.98	1.83	-62.91
CC1C[NH+](CC(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025355463	1	50	0.0	-64.46	413.89	2.59	-61.87
C[N@H+](CCO)CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355476	1	50	0.0	-69.93	411.33	-0.83	-70.76
C[N@@H+](CCO)CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355476	1	50	0.0	-72.94	409.97	-0.74	-73.68
CC(CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025355488	0	55	0.0	-71.48	440.43	3.74	-67.74
CC[N@H+](C)CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355490	0	49	0.0	-69.03	400.98	2.42	-66.61
CC[N@@H+](C)CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355490	1	49	0.0	-69.04	400.98	2.41	-66.63
CC[N@H+](CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025355500	0	53	0.0	-65.97	431.85	3.77	-62.20
CC[N@@H+](CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025355500	1	53	0.0	-72.44	429.37	3.76	-68.68
CC[NH+](CC)CCC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355506	0	55	0.0	-69.64	441.20	3.67	-65.97
C[NH+](C)CC=CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355521	0	50	0.0	-73.59	420.48	2.99	-70.60
COCC[N@H+](C)CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355530	1	53	0.0	-72.77	432.22	1.66	-71.11
COCC[N@@H+](C)CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355530	1	53	0.0	-70.05	433.58	1.58	-68.47
CC(CCC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025355539	0	55	0.0	-72.08	436.90	3.47	-68.61
CC[N@@H+]1CCC1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355543	1	50	0.0	-66.93	408.17	2.46	-64.47
CC[N@H+]1CCC1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355543	1	50	0.0	-67.34	406.52	2.27	-65.07
C=CCC(C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025355568	0	53	0.0	-66.30	426.49	3.21	-63.09
O=C(C[NH+]1CC2CC2C1)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355576	0	51	0.0	-69.18	417.82	3.59	-65.59
CCCC(C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025355582	0	55	0.0	-68.54	438.51	4.14	-64.40
C[NH+](C)C(C)(C)C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355584	0	52	0.0	-69.14	410.71	2.90	-66.24
C[N@@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355594	0	53	0.0	-70.16	415.05	3.23	-66.93
C[N@H+]1CCCCC1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355594	1	53	0.0	-66.14	415.88	3.04	-63.10
C[NH+](C)C1(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025355631	0	50	0.0	-73.73	411.50	2.97	-70.76
O=C(CC[NH+]1CCCC1)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355632	0	53	0.0	-70.11	431.58	3.47	-66.64
C[N@@H+]1CC2CC1(C(=O)NCC13CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025355642	0	51	0.0	-69.17	415.26	2.79	-66.38
C[N@H+]1CC2CC1(C(=O)NCC13CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025355642	1	51	0.0	-70.13	413.04	2.97	-67.16
CC(C[NH+](C)C)C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355678	0	52	0.0	-70.53	421.72	3.03	-67.50
CC(C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300025355701	1	53	0.0	-66.85	431.99	3.26	-63.59
CC1CC[N@@H+]1CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355702	1	50	0.0	-67.02	409.50	2.57	-64.45
CC1CC[N@H+]1CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355702	1	50	0.0	-71.82	413.43	2.91	-68.91
C[NH+](C)CC(O)CC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355704	0	53	0.0	-74.23	435.74	0.76	-73.47
C[NH+](C)[C@H]1C[C@H](C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025355734	0	53	0.0	-70.12	433.09	3.45	-66.67
CC(CC[NH+](C)C)C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025355735	0	55	0.0	-71.29	443.29	3.63	-67.66
C[N@@H+]1CCCC1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025355905	0	50	0.0	-69.75	406.11	2.47	-67.28
C[N@H+]1CCCC1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025355905	1	50	0.0	-70.39	406.27	2.54	-67.85
C[N@@H+]1CCOC(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025355931	1	51	0.0	-79.07	417.52	2.03	-77.04
C[N@H+]1CCOC(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025355931	1	51	0.0	-76.73	409.08	1.85	-74.88
C[N@@H+]1CCC(CC(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025356081	0	53	0.0	-76.75	429.64	3.32	-73.43
C[N@H+]1CCC(CC(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025356081	1	53	0.0	-75.43	429.95	3.15	-72.28
CCC(C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025356084	0	52	0.0	-71.17	410.92	2.74	-68.43
C[NH+](C)CCCCC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356094	0	55	0.0	-76.25	448.62	3.84	-72.41
CC(C)C(C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025356099	0	55	0.0	-72.20	426.61	3.27	-68.93
CCC[N@H+](C)CCC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356100	0	55	0.0	-76.07	444.85	3.66	-72.41
CCC[N@@H+](C)CCC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356100	1	55	0.0	-76.12	444.84	3.68	-72.44
CCC[N@H+](C)CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356101	0	52	0.0	-69.47	422.81	2.91	-66.56
CCC[N@@H+](C)CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356101	1	52	0.0	-69.36	422.81	2.90	-66.46
C[NH+](C)CC1(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025356140	0	53	0.0	-74.76	432.05	3.26	-71.50
CC[N@H+](C)CCC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356146	0	52	0.0	-75.30	423.35	2.92	-72.38
CC[N@@H+](C)CCC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356146	1	52	0.0	-72.52	423.91	2.62	-69.90
C[NH+]1CCC(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025356170	0	53	0.0	-75.88	424.25	2.90	-72.98
CC(C)[C@H](C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025356185	0	55	0.0	-72.16	426.49	3.24	-68.92
C[NH+](C)C1(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025356209	0	53	0.0	-70.13	411.05	2.48	-67.65
CC1CCC[N@@H+]1CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356234	0	53	0.0	-67.53	422.51	2.75	-64.78
CC1CCC[N@H+]1CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356234	1	53	0.0	-68.33	428.96	3.15	-65.18
CC(C)[C@@H](C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025356245	0	55	0.0	-72.47	426.04	3.25	-69.22
CC1CC[N@H+](CC(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025356253	0	53	0.0	-72.48	428.70	3.38	-69.10
CC1CC[N@@H+](CC(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025356253	1	53	0.0	-72.99	429.45	3.41	-69.58
CC[C@@H](C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025356255	0	52	0.0	-71.27	411.34	2.65	-68.62
CC1=[NH+]C=CN1CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356294	1	48	0.0	-66.42	413.22	2.97	-63.45
CC1=C[NH+]=CN1CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356312	1	48	0.0	-66.18	413.34	3.84	-62.34
C[C@@H]1[C@H](C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025356313	0	53	0.0	-75.02	420.38	2.80	-72.22
C[C@@H]1[C@H](C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025356313	1	53	0.0	-75.58	423.58	3.12	-72.46
C[N@H+](CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025356345	0	53	0.0	-67.56	429.68	3.48	-64.08
C[N@@H+](CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025356345	1	53	0.0	-67.03	429.82	3.49	-63.54
C[NH+]1CCC(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025356352	0	53	0.0	-75.88	424.25	2.90	-72.98
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356365	0	50	0.0	-72.45	401.33	2.23	-70.22
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356365	1	50	0.0	-67.36	407.78	2.29	-65.07
C[N@@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356408	0	53	0.0	-70.10	424.13	3.07	-67.03
C[N@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356408	1	53	0.0	-69.91	423.84	3.24	-66.67
CC1C(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025356437	0	53	0.0	-72.89	425.76	3.06	-69.83
CC1C(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025356437	1	53	0.0	-74.50	419.81	2.78	-71.72
C[C@@H](C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025356478	0	49	0.0	-71.53	400.20	2.06	-69.47
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)CC[NH+]1CCCC1)C2	REAL300025356496	0	53	0.0	-74.83	431.59	3.44	-71.39
C[N@H+](CCO)CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356501	1	50	0.0	-69.42	411.67	-1.07	-70.49
C[N@@H+](CCO)CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356501	1	50	0.0	-70.31	411.46	-1.06	-71.37
CC1C[NH+](CC(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025356547	1	50	0.0	-73.46	414.55	2.78	-70.68
CC[N@H+](C)CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356581	0	49	0.0	-69.09	401.31	2.17	-66.92
CC[N@@H+](C)CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356581	1	49	0.0	-68.98	401.32	2.16	-66.82
COCC[N@H+](C)CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356634	1	53	0.0	-70.52	433.70	1.34	-69.18
COCC[N@@H+](C)CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356634	1	53	0.0	-69.77	433.92	1.33	-68.44
CC(CCC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025356636	0	55	0.0	-78.28	436.90	3.44	-74.84
CC[N@H+](CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025356641	0	53	0.0	-69.56	431.85	3.71	-65.85
CC[N@@H+](CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025356641	1	53	0.0	-71.76	424.60	3.59	-68.17
C[N@@H+]1CC2CC1(C(=O)N1CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025356654	0	51	0.0	-76.18	411.42	2.81	-73.37
C[N@H+]1CC2CC1(C(=O)N1CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025356654	1	51	0.0	-75.46	410.51	2.52	-72.94
CC(C[NH+](C)C)C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356663	0	52	0.0	-72.92	423.13	2.63	-70.29
C[NH+](C)C1(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025356669	0	50	0.0	-75.83	406.14	2.29	-73.54
C[C@H](C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025356679	0	49	0.0	-71.80	399.89	2.05	-69.75
CC[N@@H+]1CCC1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356682	1	50	0.0	-67.17	404.29	2.10	-65.07
CC[N@H+]1CCC1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356682	1	50	0.0	-73.26	415.12	2.63	-70.63
NC1=CC=[NH+]C=C1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356697	0	46	0.0	-75.20	391.31	-0.38	-75.58
CCCC(C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025356701	0	55	0.0	-70.72	433.28	3.38	-67.34
C[NH+](C)C(C)(C)C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356704	0	52	0.0	-75.58	404.77	2.21	-73.37
CC(CC[NH+](C)C)C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356713	0	55	0.0	-74.96	439.46	3.31	-71.65
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)C[NH+]1CC3CC3C1)C2	REAL300025356773	0	51	0.0	-70.31	419.05	3.38	-66.93
C[N@@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356783	0	53	0.0	-70.10	424.13	3.07	-67.03
C[N@H+]1CCCCC1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356783	1	53	0.0	-69.91	423.84	3.24	-66.67
C[N@@H+]1CCC(=CC(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025356811	0	51	0.0	-77.30	420.71	3.05	-74.25
C[N@H+]1CCC(=CC(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025356811	1	51	0.0	-73.18	421.46	2.90	-70.28
[N-]=[N+]=NCC(=O)N1CC2CC2(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025356818	0	40	0.0	-24.34	360.22	-2.70	-27.04
CCC1C[NH+](CC(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025356834	0	53	0.0	-74.47	435.92	3.54	-70.93
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356839	0	50	0.0	-69.52	404.65	2.46	-67.06
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356839	1	50	0.0	-72.43	401.62	2.20	-70.23
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025356882	0	53	0.0	-67.22	433.04	3.24	-63.98
C[NH+](C)CCOCC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025356899	0	53	0.0	-73.29	439.12	2.81	-70.48
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)C[NH+]1CCCCC1)C2	REAL300025356933	0	53	0.0	-70.34	425.55	3.24	-67.10
C[N@@H+]1CCCC(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025356934	0	53	0.0	-75.42	428.44	3.22	-72.20
C[N@H+]1CCCC(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025356934	1	53	0.0	-64.94	418.36	3.26	-61.68
CN1C=C[N+](CC(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025356935	0	48	0.0	-70.67	414.49	5.20	-65.47
C[N@H+](CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025356945	0	50	0.0	-70.19	412.52	3.09	-67.10
C[N@@H+](CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025356945	1	50	0.0	-68.61	413.22	2.79	-65.82
CC(CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025356953	0	55	0.0	-75.55	440.44	3.72	-71.83
C[NH+]1CC(CC(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025357003	0	50	0.0	-74.59	414.55	2.53	-72.06
C[NH+](C)CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025357010	0	46	0.0	-73.71	383.26	1.68	-72.03
C[N@H+](CCO)CCC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025357020	0	53	0.0	-75.11	433.70	-0.28	-75.39
C[N@@H+](CCO)CCC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025357020	1	53	0.0	-74.51	433.65	-0.29	-74.80
C[C@@H](C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025357021	0	49	0.0	-71.53	400.20	2.06	-69.47
CC(C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025357035	0	53	0.0	-70.58	428.03	3.02	-67.56
CC1CC[N@@H+]1CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025357036	1	50	0.0	-72.27	414.65	2.79	-69.48
CC1CC[N@H+]1CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025357036	1	50	0.0	-71.28	409.06	2.49	-68.79
C[NH+](C)CC=CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025357038	0	50	0.0	-78.27	419.27	2.92	-75.35
CC1(C)C[NH+](CC(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025357042	1	53	0.0	-73.75	433.84	3.30	-70.45
CC[NH+](CC)CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025357058	0	52	0.0	-71.56	419.00	3.03	-68.53
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)C[NH+]1CCC1)C2	REAL300025357063	1	47	0.0	-73.62	393.55	2.16	-71.46
CC[NH+](CC)CCC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025357083	0	55	0.0	-74.72	436.85	3.35	-71.37
CC(C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025357112	1	50	0.0	-67.99	404.44	2.30	-65.69
C[NH+](C)CC(C)(C)C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025357116	0	55	0.0	-68.88	421.63	2.86	-66.02
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025357137	0	53	0.0	-74.49	415.50	2.79	-71.70
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025357137	1	53	0.0	-68.54	423.66	3.07	-65.47
C[NH+](C)CC(O)CC(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025357147	0	53	0.0	-78.84	435.73	0.76	-78.08
C=CCC(C(=O)N1CC2CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025357159	0	53	0.0	-69.15	425.14	3.08	-66.07
NC(=[NH2+])SCC(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025357182	0	44	0.0	-70.47	391.17	-1.31	-71.78
CCC1C[NH+](CC(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025357242	1	53	0.0	-65.50	436.47	3.28	-62.22
C[N@@H+]1CCC[C@H]1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025357246	0	50	0.0	-66.23	408.76	2.55	-63.68
C[N@H+]1CCC[C@H]1C(=O)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025357246	1	50	0.0	-70.13	403.00	2.13	-68.00
O=C(C[NH+]1CCCCC1)NCC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025357253	0	53	0.0	-68.72	425.36	3.63	-65.09
CC1C(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025357257	0	53	0.0	-68.69	425.44	3.00	-65.69
CC1C(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025357257	1	53	0.0	-59.94	425.67	3.06	-56.88
C[NH+](C)CC(=O)NCC(C)(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025357335	0	57	0.0	-73.04	432.10	3.15	-69.89
CC(C)(CNC(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025357340	0	51	0.0	-23.42	409.08	-1.25	-24.67
CC(C)(CNC(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])CC1	REAL300025357399	0	51	0.0	-23.77	409.06	-1.36	-25.13
C[NH+](C)CC(=O)N1CCC(C(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025357406	0	57	0.0	-70.91	432.08	3.05	-67.86
C[NH+](C)CC(=O)NC(C)(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025357503	0	54	0.0	-73.49	409.97	2.51	-70.98
C[C@@H](C(=O)NC(C)(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025357508	0	57	0.0	-71.17	428.14	2.93	-68.24
CC(C)(NC(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025357511	0	48	0.0	-24.36	386.93	-1.88	-26.24
C[C@@H](C(=O)NC(C)(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025357518	0	57	0.0	-71.17	428.14	2.93	-68.24
CC(C)(NC(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025357525	1	55	0.0	-73.29	420.07	2.94	-70.35
C[C@H](C(=O)NC(C)(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025357530	0	57	0.0	-71.99	428.14	2.92	-69.07
CC[N@H+](C)CC(=O)NC(C)(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025357539	0	57	0.0	-72.85	427.72	3.19	-69.66
CC[N@@H+](C)CC(=O)NC(C)(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025357539	1	57	0.0	-72.86	427.70	3.17	-69.69
C[C@@H](C(=O)N1CCC(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025357670	0	57	0.0	-71.30	426.69	2.81	-68.49
CC[N@H+](C)CC(=O)N1CCC(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025357689	0	57	0.0	-72.57	427.70	3.09	-69.48
CC[N@@H+](C)CC(=O)N1CCC(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025357689	1	57	0.0	-72.62	427.70	3.09	-69.53
C[C@H](C(=O)N1CCC(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025357702	0	57	0.0	-70.83	425.98	2.73	-68.10
CC(C)(NC(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])CC1	REAL300025357726	0	48	0.0	-24.81	386.94	-1.98	-26.79
C[NH+](C)CC(=O)N1CCC(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025357753	0	54	0.0	-73.42	409.97	2.41	-71.01
C[C@@H](C(=O)N1CCC(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025357756	0	57	0.0	-71.30	426.69	2.81	-68.49
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025357763	1	55	0.0	-73.07	420.07	2.83	-70.24
C[N@@H+]1CCCC1C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025357900	0	53	0.0	-62.13	412.48	3.06	-59.07
C[N@H+]1CCCC1C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025357900	1	53	0.0	-64.44	408.10	2.68	-61.76
CCC(C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025357994	0	55	0.0	-64.36	421.52	3.20	-61.16
CCC[N@H+](C)CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025357998	0	55	0.0	-65.36	425.45	3.43	-61.93
CCC[N@@H+](C)CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025357998	1	55	0.0	-65.32	425.44	3.43	-61.89
C[N@@H+]1CCC[C@@H]1C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358004	0	53	0.0	-66.12	402.93	2.45	-63.67
C[N@H+]1CCC[C@@H]1C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358004	1	53	0.0	-63.62	415.88	3.23	-60.39
CC[NH+](CC)CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358007	0	55	0.0	-65.14	423.65	3.24	-61.90
CC[N@H+](C)CCC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358049	0	55	0.0	-67.23	426.31	3.22	-64.01
CC[N@@H+](C)CCC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358049	1	55	0.0	-67.28	426.31	3.23	-64.05
CC[C@@H](C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025358052	0	55	0.0	-62.95	420.41	3.58	-59.37
C[NH+](C)CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358067	0	49	0.0	-67.48	392.05	2.16	-65.32
CC(C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+]1CCC1	REAL300025358071	1	53	0.0	-62.80	414.36	3.06	-59.74
C[N@H+](CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2)C1CC1	REAL300025358078	0	53	0.0	-64.22	421.32	3.57	-60.65
C[N@@H+](CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2)C1CC1	REAL300025358078	1	53	0.0	-62.23	415.49	3.42	-58.81
C[NH+]1CC(CC(=O)NC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)CCC3)C1	REAL300025358083	0	53	0.0	-68.29	423.50	2.98	-65.31
C[C@@H](C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025358090	0	52	0.0	-63.97	404.39	2.41	-61.56
[N-]=[N+]=NCC(=O)NC12CC1CN(C(=O)CSC1=NC(=O)NN1)CCC2	REAL300025358093	0	43	0.0	-22.36	369.02	-2.24	-24.60
C[C@@H](C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025358109	0	52	0.0	-63.97	404.39	2.41	-61.56
O=C(C[NH+]1CCC1)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358125	1	50	0.0	-65.78	396.31	2.43	-63.35
C[C@H](C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025358133	0	52	0.0	-64.25	404.19	2.42	-61.83
CC1C[NH+](CC(=O)NC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)CCC3)C1	REAL300025358140	1	53	0.0	-67.11	422.56	3.33	-63.78
C[N@H+](CCO)CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358150	1	53	0.0	-66.03	414.30	-0.56	-66.59
C[N@@H+](CCO)CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358150	1	53	0.0	-66.30	414.08	-0.57	-66.87
CC[N@H+](C)CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358155	0	52	0.0	-65.07	403.95	2.68	-62.39
CC[N@@H+](C)CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358155	1	52	0.0	-64.95	403.93	2.69	-62.26
C[NH+](C)CC=CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358170	0	53	0.0	-71.18	429.28	3.42	-67.76
CC[N@@H+]1CCC1C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358175	1	53	0.0	-65.57	423.81	3.12	-62.45
CC[N@H+]1CCC1C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358175	1	53	0.0	-63.80	413.09	2.80	-61.00
CC(C[NH+](C)C)C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358218	0	55	0.0	-63.76	430.10	3.51	-60.25
CC1CC[N@@H+]1CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358228	1	53	0.0	-64.77	419.34	3.23	-61.54
CC1CC[N@H+]1CC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358228	1	53	0.0	-65.26	423.94	3.30	-61.96
C[N@@H+]1CCCC1C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358340	0	53	0.0	-65.79	409.04	2.78	-63.01
C[N@H+]1CCCC1C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358340	1	53	0.0	-66.28	407.74	2.82	-63.46
CCC(C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025358414	0	55	0.0	-72.05	420.73	3.01	-69.04
CCC[N@H+](C)CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358418	0	55	0.0	-69.18	427.38	3.48	-65.70
CCC[N@@H+](C)CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358418	1	55	0.0	-72.07	429.88	3.45	-68.62
CC[N@H+](C)CCC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358435	0	55	0.0	-75.10	432.19	3.34	-71.76
CC[N@@H+](C)CCC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358435	1	55	0.0	-75.03	432.19	3.33	-71.70
CC[C@@H](C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025358476	0	55	0.0	-67.78	417.25	2.92	-64.86
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358522	0	53	0.0	-73.07	410.26	2.72	-70.35
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358522	1	53	0.0	-65.63	409.56	2.85	-62.78
C[C@@H](C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025358577	0	52	0.0	-69.45	406.99	2.42	-67.03
C[N@H+](CCO)CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358587	1	53	0.0	-74.70	420.18	-0.51	-75.21
C[N@@H+](CCO)CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358587	1	53	0.0	-68.91	416.23	-0.51	-69.42
CC1C[NH+](CC(=O)N2CCCC3(NC(=O)CSC4=NNC(=O)[N-]4)CC3C2)C1	REAL300025358603	1	53	0.0	-72.32	421.36	3.19	-69.13
CC[N@H+](C)CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358621	0	52	0.0	-68.89	405.88	2.74	-66.15
CC[N@@H+](C)CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358621	1	52	0.0	-73.58	409.83	2.73	-70.85
CC(C[NH+](C)C)C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358654	0	55	0.0	-75.34	426.82	3.09	-72.25
C[NH+](C)C1(C(=O)N2CCCC3(NC(=O)CSC4=NNC(=O)[N-]4)CC3C2)CC1	REAL300025358657	0	53	0.0	-71.51	410.19	2.57	-68.94
C[C@H](C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025358661	0	52	0.0	-70.14	405.29	2.35	-67.79
CC[N@@H+]1CCC1C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358664	1	53	0.0	-67.56	410.97	2.67	-64.89
CC[N@H+]1CCC1C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358664	1	53	0.0	-72.17	423.13	3.03	-69.14
C[NH+](C)C(C)(C)C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358673	0	55	0.0	-72.70	412.07	2.58	-70.12
[N-]=[N+]=NCC(=O)N1CCCC2(NC(=O)CSC3=NC(=O)NN3)CC2C1	REAL300025358722	0	43	0.0	-22.58	365.48	-2.34	-24.92
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358735	0	53	0.0	-65.78	413.54	2.96	-62.82
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358735	1	53	0.0	-66.21	406.91	2.57	-63.64
C[N@H+](CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)C1CC1	REAL300025358772	0	53	0.0	-66.55	417.77	3.45	-63.10
C[N@@H+](CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)C1CC1	REAL300025358772	1	53	0.0	-71.49	421.50	3.47	-68.02
C[NH+]1CC(CC(=O)N2CCCC3(NC(=O)CSC4=NNC(=O)[N-]4)CC3C2)C1	REAL300025358800	0	53	0.0	-74.62	423.39	2.92	-71.70
C[NH+](C)CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358803	0	49	0.0	-74.23	392.10	2.05	-72.18
C[C@@H](C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025358806	0	52	0.0	-69.45	406.99	2.42	-67.03
CC1CC[N@@H+]1CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358815	1	53	0.0	-66.83	414.79	2.98	-63.85
CC1CC[N@H+]1CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358815	1	53	0.0	-69.52	416.46	2.90	-66.62
C[NH+](C)CC=CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358816	0	53	0.0	-75.89	427.33	3.32	-72.57
CC[NH+](CC)CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025358822	0	55	0.0	-72.14	423.70	3.13	-69.01
O=C(CSC1=NNC(=O)[N-]1)NC12CC1CN(C(=O)C[NH+]1CCC1)CCC2	REAL300025358823	1	50	0.0	-72.00	401.66	2.53	-69.47
CC(C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+]1CCC1	REAL300025358846	1	53	0.0	-65.18	404.24	2.55	-62.63
NC(=[NH2+])SCC(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358886	0	47	0.0	-67.99	400.58	-0.98	-68.97
C[N@@H+]1CCC[C@H]1C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358914	0	53	0.0	-63.52	413.97	3.19	-60.33
C[N@H+]1CCC[C@H]1C(=O)NC12CC1CN(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025358914	1	53	0.0	-65.48	411.45	2.69	-62.79
C[N@@H+]1CCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359097	0	46	0.0	-67.91	374.58	0.37	-67.54
C[N@H+]1CCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359097	1	46	0.0	-67.42	374.28	0.29	-67.13
CC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300025359272	0	55	0.0	-63.83	424.36	2.26	-61.57
CC(C)[N@@H+]1CCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359290	0	52	0.0	-62.94	413.46	1.94	-61.00
CC(C)[N@H+]1CCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359290	1	52	0.0	-65.49	404.62	1.95	-63.54
CC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359303	0	53	0.0	-65.41	422.06	2.52	-62.89
CC1(NC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359303	1	53	0.0	-64.66	421.89	2.54	-62.12
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359320	1	50	0.0	-62.51	420.38	2.55	-59.96
CC1=[NH+]C=CN1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359341	1	44	0.0	-62.91	383.76	1.36	-61.55
CC(C[NH+]1CCOCC1)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359342	1	53	0.0	-64.23	425.46	0.67	-63.56
CC1(NC(=O)CCC[NH+]2CCCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359355	0	55	0.0	-67.91	439.68	3.02	-64.89
CC1(NC(=O)C2C[NH+]3CCC2CC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359374	0	50	0.0	-73.26	395.56	1.64	-71.62
CC1(NC(=O)C2CCCC3CCC[N@@H+]32)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359405	0	53	0.0	-60.66	419.22	2.65	-58.01
CC1(NC(=O)C2CCCC3CCC[N@H+]32)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359405	1	53	0.0	-60.60	418.87	2.66	-57.94
C[C@@H]1[C@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025359413	0	49	0.0	-67.09	390.15	0.77	-66.32
C[C@@H]1[C@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025359413	1	49	0.0	-69.19	397.14	0.99	-68.20
CC[C@@H]1[C@@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025359416	0	52	0.0	-65.78	410.98	1.44	-64.34
CC[C@@H]1[C@@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025359416	1	52	0.0	-63.39	415.33	1.95	-61.44
CC[N@@H+]1CCOC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025359424	1	50	0.0	-72.21	402.50	0.66	-71.55
CC[N@H+]1CCOC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025359424	1	50	0.0	-62.48	402.36	0.58	-61.90
CC[NH+](CC)CC(F)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359454	0	51	0.0	-65.29	416.34	1.73	-63.56
CC1CCC(C)[NH+]1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359501	0	52	0.0	-63.60	412.41	1.89	-61.71
CC1(NC(=O)CCC[NH+]2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359507	0	52	0.0	-67.83	423.73	2.30	-65.53
C#CC[NH+]1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025359510	0	51	0.0	-70.60	424.18	2.67	-67.93
CC1(NC(=O)CC[NH+]2CCCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359511	0	52	0.0	-67.77	418.42	2.26	-65.51
CC(C)C[N@@H+]1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025359526	0	55	0.0	-67.15	439.16	2.73	-64.42
CC(C)C[N@H+]1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025359526	1	55	0.0	-64.97	438.57	2.72	-62.25
CC(C)[N@@H+]1CCCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359530	0	55	0.0	-62.49	423.50	2.28	-60.21
CC(C)[N@H+]1CCCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359530	1	55	0.0	-64.44	424.53	2.06	-62.38
C[N@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025359568	0	49	0.0	-64.66	400.55	1.73	-62.93
C[N@@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025359568	1	49	0.0	-66.02	400.75	1.80	-64.22
CC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300025359603	0	55	0.0	-60.26	422.73	1.97	-58.29
C[N@@H+]1CCCC1CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359656	0	52	0.0	-69.77	421.86	2.32	-67.45
C[N@H+]1CCCC1CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359656	1	52	0.0	-67.65	416.57	1.85	-65.80
CC1(NC(=O)C2CCC3CCCC[N@@H+]32)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359663	0	53	0.0	-61.00	422.10	2.70	-58.30
CC1(NC(=O)C2CCC3CCCC[N@H+]32)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359663	1	53	0.0	-62.44	421.91	2.72	-59.72
CC1(NC(=O)CCCC[NH+]2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359676	0	55	0.0	-68.14	444.35	3.03	-65.11
C[NH+]1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025359687	0	49	0.0	-71.02	399.00	1.50	-69.52
C[NH+](C)CC1=CC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300025359707	1	48	0.0	-74.89	413.44	0.78	-74.11
CC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359812	0	44	0.0	-68.39	384.57	3.32	-65.07
CC1=[NH+]C=CN1CCCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359818	1	50	0.0	-65.06	425.26	2.65	-62.41
CC1(NC(=O)CC[NH+]2CCOCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359822	1	50	0.0	-70.69	409.91	-0.17	-70.86
CC1=C[NH+]=CN1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359842	1	44	0.0	-67.68	384.40	2.17	-65.51
C[NH+](C)C1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025359884	0	55	0.0	-66.93	433.23	2.66	-64.27
C[N@@H+]1CCC(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025359886	0	49	0.0	-69.05	401.08	1.30	-67.75
C[N@H+]1CCC(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025359886	1	49	0.0	-68.91	401.38	1.43	-67.48
CCC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025359900	0	48	0.0	-65.74	384.56	0.86	-64.88
C[NH+](C)C1(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025359910	0	55	0.0	-69.07	414.43	2.10	-66.97
CC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359935	1	44	0.0	-70.89	384.85	3.34	-67.55
C[NH+](C)CCCCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359973	0	51	0.0	-69.39	420.00	1.97	-67.42
CCC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359989	0	51	0.0	-68.94	416.01	1.79	-67.15
CCC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359989	1	51	0.0	-68.69	416.23	1.77	-66.92
CCC[N@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359993	0	48	0.0	-67.32	393.87	1.24	-66.08
CCC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359993	1	48	0.0	-67.49	393.87	1.24	-66.25
CC1(NC(=O)C23CC[N@H+](C2)CCC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360009	0	50	0.0	-68.34	395.86	0.96	-67.38
CC1(NC(=O)C23CC[N@@H+](C2)CCC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360009	1	50	0.0	-68.83	396.29	1.05	-67.78
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360036	0	46	0.0	-63.45	374.30	0.28	-63.17
C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360036	1	46	0.0	-63.51	380.34	0.78	-62.73
CCCCCC[N@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360075	0	57	0.0	-68.40	458.36	3.58	-64.82
CCCCCC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360075	1	57	0.0	-68.67	458.36	3.58	-65.09
CC[NH+](CC)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360084	0	48	0.0	-65.99	386.22	0.90	-65.09
CCC[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360109	0	55	0.0	-61.86	432.13	3.05	-58.81
CCC[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360109	1	55	0.0	-63.53	431.89	3.05	-60.48
CC(C)[N@@H+]1CCOC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360119	1	53	0.0	-68.66	426.61	1.33	-67.33
CC(C)[N@H+]1CCOC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360119	1	53	0.0	-62.22	418.45	1.15	-61.07
CC1CC[NH+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025360145	0	52	0.0	-67.55	416.99	2.31	-65.24
C[NH+]1CCC(OCC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025360163	0	53	0.0	-73.17	434.59	1.83	-71.34
C[NH+](C)CC1(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025360172	0	49	0.0	-60.86	405.53	1.65	-59.21
CC(C)[NH+]1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025360227	0	55	0.0	-66.05	433.55	2.68	-63.37
C[NH+]1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025360240	0	49	0.0	-71.02	399.00	1.50	-69.52
CCC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025360269	0	54	0.0	-62.63	417.32	1.84	-60.79
CC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360315	0	48	0.0	-68.28	394.74	1.04	-67.24
CC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360315	1	48	0.0	-68.08	394.74	1.05	-67.03
CC1CCC[N@@H+]1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360355	0	49	0.0	-63.91	400.32	1.40	-62.51
CC1CCC[N@H+]1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360355	1	49	0.0	-64.83	399.78	1.62	-63.21
CC1CC[N@H+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360357	0	49	0.0	-66.31	399.65	1.42	-64.89
CC1CC[N@@H+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360357	1	49	0.0	-66.61	400.01	1.57	-65.04
CC1(NC(=O)C[N@@H+]2CCC(C)(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360360	0	52	0.0	-66.68	419.92	2.08	-64.60
CC1(NC(=O)C[N@H+]2CCC(C)(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360360	1	52	0.0	-66.14	419.32	1.99	-64.15
C[N@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025360361	0	54	0.0	-66.59	424.26	2.32	-64.27
C[N@@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025360361	1	54	0.0	-66.82	424.11	2.30	-64.52
CC[C@@H](C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025360368	0	48	0.0	-65.78	384.89	0.83	-64.95
C[NH+]1CCC(O)(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025360491	0	53	0.0	-67.24	424.95	0.06	-67.18
C[NH+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360500	0	42	0.0	-67.76	354.64	-0.18	-67.94
CC1(NC(=O)C[NH+]2CCC(CO)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360503	0	53	0.0	-70.74	428.22	-1.00	-71.74
CC1(NC(=O)C[NH+]2CCCCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360504	0	52	0.0	-67.21	407.62	2.22	-64.99
CN1C=C[N+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025360508	0	44	0.0	-64.06	385.87	3.33	-60.73
C[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360513	0	49	0.0	-61.98	392.73	1.66	-60.32
C[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360513	1	49	0.0	-68.26	398.99	1.45	-66.81
CC1(NC(=O)C2CCC[N@@H+]2C2CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360517	0	50	0.0	-66.30	407.04	1.81	-64.49
CC1(NC(=O)C2CCC[N@H+]2C2CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360517	1	50	0.0	-62.15	410.41	2.31	-59.84
CC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025360537	1	46	0.0	-65.30	382.17	0.86	-64.44
CCC(CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025360541	0	54	0.0	-62.74	430.20	2.42	-60.32
CC1(NC(=O)C[NH+]2CCC(O)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360565	1	50	0.0	-71.23	407.61	-1.65	-72.88
C[N@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025360566	0	46	0.0	-64.50	383.68	1.24	-63.26
C[N@@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025360566	1	46	0.0	-64.99	383.69	1.24	-63.75
CC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300025360567	1	54	0.0	-68.41	425.36	-0.37	-68.78
C[NH+]1CC(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360582	0	46	0.0	-67.23	385.53	0.57	-66.66
CC1(NC(=O)C2CC[N@@H+]2C2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360586	0	53	0.0	-66.89	427.20	2.79	-64.10
CC1(NC(=O)C2CC[N@H+]2C2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360586	1	53	0.0	-66.16	423.09	2.59	-63.57
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360593	0	52	0.0	-64.03	416.00	1.55	-62.48
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360593	1	52	0.0	-64.51	399.99	0.87	-63.64
C[C@@H](C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025360604	0	45	0.0	-64.56	372.73	0.22	-64.34
CC1(NC(=O)CN=[N+]=[N-])CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025360611	0	36	0.0	-22.02	331.24	-4.66	-26.68
CCC1CCC[N@H+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360631	0	55	0.0	-66.56	428.27	2.83	-63.73
CCC1CCC[N@@H+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360631	1	55	0.0	-65.64	427.91	2.52	-63.12
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300025360638	0	50	0.0	-75.46	421.22	1.24	-74.22
CC1(NC(=O)CN2C=CSC2=[NH2+])CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360672	0	42	0.0	-62.06	381.71	0.00	-62.06
C[N@H+](CCO)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360680	0	49	0.0	-67.59	405.09	-2.19	-69.78
C[N@@H+](CCO)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360680	1	49	0.0	-68.36	404.85	-2.19	-70.55
C[C@@H](C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025360681	0	45	0.0	-64.56	372.73	0.22	-64.34
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360685	0	49	0.0	-66.12	386.93	1.16	-64.96
C[N@H+]1CCCC[C@@H]1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360685	1	49	0.0	-65.50	396.22	1.33	-64.17
CC1CN2CC[N@@H+]1CC2C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360691	0	52	0.0	-72.29	407.19	-1.20	-73.49
CC1CN2CC[N@H+]1CC2C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360691	1	52	0.0	-64.92	407.49	-1.23	-66.15
CC1(NC(=O)C[NH+]2CCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360748	1	43	0.0	-66.54	364.60	0.22	-66.32
C[N@@H+]1CCC(=CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360769	0	47	0.0	-70.84	393.51	1.36	-69.48
C[N@H+]1CCC(=CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360769	1	47	0.0	-70.69	392.30	1.40	-69.29
C[NH+](C)CCOCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360794	0	49	0.0	-66.03	410.17	0.71	-65.32
CCCCC[N@H+](C)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360799	0	57	0.0	-69.84	459.01	3.35	-66.49
CCCCC[N@@H+](C)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360799	1	57	0.0	-69.63	459.23	3.34	-66.29
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025360807	0	53	0.0	-68.28	433.13	1.58	-66.70
C=CCC(C)(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025360814	0	52	0.0	-69.20	409.01	1.96	-67.24
C[S+](C)CCC(O)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360818	0	48	0.0	-72.64	419.27	-0.61	-73.25
CN1CC[N@H+](C)CC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360847	0	54	0.0	-66.30	424.91	-0.02	-66.32
CN1CC[N@@H+](C)CC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360847	1	54	0.0	-66.30	424.91	-0.02	-66.32
CC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300025360848	0	53	0.0	-63.69	425.52	-1.27	-64.96
C[N@@H+]1CCCC(O)(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360865	0	53	0.0	-61.88	424.74	0.09	-61.79
C[N@H+]1CCCC(O)(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360865	1	53	0.0	-61.88	424.74	0.09	-61.79
CC1CN(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360868	0	46	0.0	-67.73	384.50	0.99	-66.74
CC1C[NH+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360868	1	46	0.0	-67.73	384.50	0.99	-66.74
CN(CCO)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360890	0	46	0.0	-68.44	382.72	-2.75	-71.19
C[N@H+](CCO)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360890	1	46	0.0	-66.80	382.50	-2.75	-69.55
C[N@@H+](CCO)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360890	1	46	0.0	-66.80	382.50	-2.75	-69.55
CC1(NC(=O)C2C[N@@H+]3CCN2CCC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360908	0	52	0.0	-68.31	401.52	-0.38	-68.69
CC1(NC(=O)C2C[N@H+]3CCN2CCC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360908	1	52	0.0	-68.31	401.52	-0.38	-68.69
CC[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360912	0	52	0.0	-66.60	416.88	2.10	-64.50
CC[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360912	1	52	0.0	-66.60	416.88	2.10	-64.50
CC(CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025360914	0	51	0.0	-69.28	411.82	1.81	-67.47
CC[N@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360920	0	45	0.0	-66.56	372.05	0.41	-66.15
CC[N@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025360955	0	49	0.0	-64.00	399.21	1.58	-62.42
CC[NH+](CC)CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360967	0	51	0.0	-67.41	412.59	1.75	-65.66
CC1(C)CN(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360986	0	49	0.0	-67.24	404.98	1.46	-65.78
CC1(C)C[NH+](CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025360986	1	49	0.0	-67.24	404.98	1.46	-65.78
CC1(NC(=O)C[N@@H+]2CCC(C)(O)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361007	0	50	0.0	-66.79	410.88	-1.78	-68.57
C[NH+](C)CC=CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361013	0	46	0.0	-71.44	390.37	1.03	-70.41
CC(OCC[NH+](C)C)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361026	0	52	0.0	-64.27	430.08	1.47	-62.80
C[NH+](C)CCOCCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361033	0	52	0.0	-68.45	431.45	0.63	-67.82
COCCN(C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361034	0	49	0.0	-66.46	404.75	-0.35	-66.81
COCC[N@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361034	1	49	0.0	-68.66	404.97	-0.34	-69.00
COCC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361034	1	49	0.0	-68.66	404.97	-0.34	-69.00
CC(CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025361059	0	51	0.0	-70.65	408.28	1.55	-69.10
CCN1CCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361065	0	46	0.0	-65.55	385.95	0.71	-64.84
CC[N@@H+]1CCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361065	1	46	0.0	-65.89	386.08	0.86	-65.03
CC[N@H+]1CCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361065	1	46	0.0	-65.89	386.08	0.86	-65.03
CC(C)[N@@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025361072	0	55	0.0	-62.56	427.04	2.82	-59.74
CC(C)[N@H+]1CCCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025361072	1	55	0.0	-62.56	427.04	2.82	-59.74
CC1(NC(=O)C[N@@H+]2CCCC2CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361082	0	50	0.0	-64.81	400.12	-1.72	-66.53
CC1(NC(=O)C2CC3CCCC[N@@H+]3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361101	0	53	0.0	-64.66	421.89	2.54	-62.12
CC1(NC(=O)C2CC3CCCC[N@H+]3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361101	1	53	0.0	-64.66	421.89	2.54	-62.12
C[NH+](C)CC1=CNC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025361108	0	50	0.0	-71.78	421.00	1.14	-70.64
C=CCC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025361124	0	49	0.0	-64.90	397.20	1.31	-63.59
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361130	0	52	0.0	-63.52	416.05	1.81	-61.71
C[N@H+]1CC(C)(C)CC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361130	1	52	0.0	-63.52	416.05	1.81	-61.71
C[NH+](C)CCCCCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361133	0	54	0.0	-69.18	441.50	2.75	-66.43
CC1C[N@@H+]2CCN1C(C(=O)NC1(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025361165	0	52	0.0	-66.03	392.77	-0.89	-66.92
CC1C[N@H+]2CCN1C(C(=O)NC1(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025361165	1	52	0.0	-66.88	407.31	-1.13	-68.01
CCCC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025361166	0	51	0.0	-68.50	409.67	2.18	-66.32
C[N@@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361197	0	49	0.0	-65.92	396.60	1.41	-64.51
C[N@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361197	1	49	0.0	-62.41	396.60	1.41	-61.00
C[N@H+]1CC=C(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025361226	0	50	0.0	-67.44	413.65	2.16	-65.28
C[N@@H+]1CC=C(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025361226	1	50	0.0	-66.60	413.78	2.14	-64.46
CC1(NC(=O)CC2([NH+]3CCCC3)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361232	0	53	0.0	-63.90	419.52	2.57	-61.33
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025361266	1	49	0.0	-70.73	419.18	1.62	-69.11
CC1(NC(=O)C=CC[NH+]2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361278	0	50	0.0	-70.03	416.93	2.23	-67.80
CC1(NC(=O)C2CC[NH+](C3CC3)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361295	0	53	0.0	-65.88	424.10	2.69	-63.19
CC1(NC(=O)CC[NH+]2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361309	0	49	0.0	-67.90	402.00	1.51	-66.39
CC1(NC(=O)C2C[NH+]3CCN2CC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361338	0	49	0.0	-66.91	390.61	-1.70	-68.61
CC1(NC(=O)C[N@@H+]2CC3CCC2C3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361356	0	50	0.0	-65.16	400.83	1.84	-63.32
CC1(NC(=O)C[N@H+]2CC3CCC2C3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361356	1	50	0.0	-65.62	399.00	1.73	-63.89
CC1(NC(=O)C=C2C[NH+]3CCC2CC3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361390	0	51	0.0	-66.25	410.85	2.22	-64.03
CC1(NC(=O)C[N@@H+]2CC3C=CC2C3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361398	1	48	0.0	-64.84	393.36	1.61	-63.23
CC1(NC(=O)C[N@H+]2CC3C=CC2C3)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361398	1	48	0.0	-64.75	393.39	1.61	-63.14
CC[NH+]1CCN(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025361418	0	54	0.0	-67.68	430.66	-0.04	-67.72
CC(C[NH+](C)C)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361429	0	48	0.0	-67.66	392.82	1.09	-66.57
C[N@@H+]1CCCCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361483	0	52	0.0	-68.65	413.53	1.92	-66.73
C[N@H+]1CCCCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361483	1	52	0.0	-60.30	406.16	1.89	-58.41
CC(C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025361495	0	49	0.0	-63.94	404.76	1.50	-62.44
CC1CC[N@@H+]1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361498	1	46	0.0	-65.98	385.60	0.83	-65.15
CC1CC[N@H+]1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361498	1	46	0.0	-66.47	385.74	0.91	-65.56
C[NH+](C)CC(O)CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361500	0	49	0.0	-71.03	407.34	-1.26	-72.29
CC1C[N@H+](C)CC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025361519	1	50	0.0	-71.74	405.68	0.39	-71.35
CC1C[N@@H+](C)CC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025361519	1	50	0.0	-63.44	405.98	0.75	-62.69
CC1(NC(=O)CC[NH+]2CCC(O)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361527	0	53	0.0	-71.49	429.52	-1.09	-72.58
CCC[N@@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361529	0	55	0.0	-64.67	435.70	2.82	-61.85
CCC[N@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361529	1	55	0.0	-65.28	426.49	2.63	-62.65
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025361583	0	49	0.0	-65.07	403.95	1.56	-63.51
CC(CC[NH+](C)C)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361590	0	51	0.0	-68.22	414.46	1.71	-66.51
C[N@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300025361604	0	53	0.0	-64.45	424.51	-0.88	-65.33
C[N@@H+](CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300025361604	1	53	0.0	-65.48	425.06	-0.87	-66.35
C#CC[N@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361609	1	51	0.0	-65.96	412.52	2.43	-63.53
C#CC[N@@H+]1CCCCC1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361609	1	51	0.0	-66.00	412.39	2.44	-63.56
C[NH+]1CCN(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025361612	1	51	0.0	-69.41	413.82	-0.66	-70.07
CC[NH+]1CCN(CC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025361620	0	54	0.0	-67.68	430.66	-0.04	-67.72
C[N@@H+]1CCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361787	0	46	0.0	-62.14	373.56	0.28	-61.86
C[N@H+]1CCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361787	1	46	0.0	-62.73	375.66	0.64	-62.09
C[N@@H+]1CCOC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025361813	1	47	0.0	-63.41	380.24	-0.13	-63.54
C[N@H+]1CCOC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025361813	1	47	0.0	-63.54	380.23	-0.06	-63.60
CC1=[NH+]C=CN1CCCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361970	1	50	0.0	-63.60	425.28	2.64	-60.96
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300025361974	1	50	0.0	-68.80	409.57	-0.25	-69.05
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300025361994	0	50	0.0	-61.05	394.44	1.37	-59.68
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300025362002	1	44	0.0	-70.07	379.94	2.88	-67.19
C[NH+](C)C1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025362050	0	55	0.0	-63.91	424.09	2.26	-61.65
C[N@@H+]1CCC(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025362052	0	49	0.0	-68.19	401.32	1.37	-66.82
C[N@H+]1CCC(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025362052	1	49	0.0	-67.90	401.32	1.41	-66.49
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362063	0	48	0.0	-70.08	404.40	-0.12	-70.20
CCC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025362068	0	48	0.0	-61.71	384.62	0.74	-60.97
C[NH+](C)CCCCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362120	0	51	0.0	-68.39	420.00	1.95	-66.44
CC(C)C(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025362140	0	51	0.0	-64.27	395.75	2.00	-62.27
CCC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362142	0	51	0.0	-67.29	415.90	1.69	-65.60
CCC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362142	1	51	0.0	-67.15	415.87	1.71	-65.44
CCC[N@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362147	0	48	0.0	-64.74	393.56	1.16	-63.58
CCC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362147	1	48	0.0	-64.62	393.89	1.21	-63.41
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025362167	0	50	0.0	-66.77	390.35	0.71	-66.06
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025362167	1	50	0.0	-85.39	388.83	0.77	-84.62
CCCCCC[N@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362190	0	57	0.0	-65.55	458.38	3.56	-61.99
CCCCCC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362190	1	57	0.0	-65.71	458.38	3.55	-62.16
CC[NH+](CC)C(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C(C)C	REAL300025362193	0	57	0.0	-59.02	431.15	2.55	-56.47
CC1CC[NH+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025362222	0	52	0.0	-64.60	417.38	2.29	-62.31
C[NH+]1CCC(OCC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025362245	0	53	0.0	-71.64	434.34	1.97	-69.67
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300025362284	0	53	0.0	-62.21	419.14	2.36	-59.85
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300025362284	1	53	0.0	-62.24	419.29	2.38	-59.86
C[NH+](C)CC1(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025362293	0	49	0.0	-61.76	402.96	1.40	-60.36
CC(C)[NH+]1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025362303	0	55	0.0	-64.78	430.55	2.33	-62.45
CC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362319	0	48	0.0	-66.42	394.74	1.03	-65.39
CC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362319	1	48	0.0	-66.36	394.52	1.05	-65.31
CC(C)(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCC1	REAL300025362340	0	55	0.0	-59.67	416.90	2.50	-57.17
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300025362348	0	50	0.0	-65.10	392.76	1.42	-63.68
C[NH+]1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025362411	0	49	0.0	-67.24	399.88	1.37	-65.87
CC(C)[C@H](C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025362429	0	51	0.0	-62.28	397.47	1.61	-60.67
CC[NH+](CC)CC(F)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362512	0	51	0.0	-67.87	417.06	1.79	-66.08
CC(C)C[N@@H+]1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025362540	0	55	0.0	-64.08	436.08	2.68	-61.40
CC(C)C[N@H+]1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025362540	1	55	0.0	-65.73	437.99	2.72	-63.01
C[NH+](C)C1(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025362543	0	49	0.0	-66.68	385.64	0.89	-65.79
CCC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025362573	0	54	0.0	-58.79	420.42	2.07	-56.72
CC1CCC[N@@H+]1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362590	0	49	0.0	-61.74	393.07	1.17	-60.57
CC1CCC[N@H+]1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362590	1	49	0.0	-61.38	393.07	1.18	-60.20
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCCCC1	REAL300025362638	0	55	0.0	-61.19	424.01	2.18	-59.01
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362640	0	55	0.0	-59.54	419.07	2.08	-57.46
CC(C)[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362640	1	55	0.0	-58.25	426.79	2.23	-56.02
CC(C)[N@@H+]1CCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362660	0	52	0.0	-60.36	412.62	1.79	-58.57
CC(C)[N@H+]1CCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362660	1	52	0.0	-62.93	405.95	2.36	-60.57
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362666	0	55	0.0	-57.90	425.82	1.87	-56.03
CC(C)[N@H+]1CCCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362666	1	55	0.0	-63.55	436.39	2.40	-61.15
CC(C)[C@@H](C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025362677	0	51	0.0	-64.11	395.44	2.01	-62.10
CC1CC[N@H+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025362695	0	49	0.0	-64.01	400.42	1.44	-62.57
CC1CC[N@@H+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025362695	1	49	0.0	-63.52	400.78	1.55	-61.97
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300025362699	0	52	0.0	-63.91	419.90	1.99	-61.92
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300025362699	1	52	0.0	-63.84	419.88	1.98	-61.86
C[N@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025362700	0	54	0.0	-64.32	422.16	2.14	-62.18
C[N@@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025362700	1	54	0.0	-64.17	424.43	2.36	-61.81
CC[C@@H](C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025362708	0	48	0.0	-64.18	387.05	0.96	-63.22
CC1=[NH+]C=CN1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362878	1	44	0.0	-61.99	383.72	1.33	-60.66
CC(C[NH+]1CCOCC1)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362879	0	53	0.0	-67.36	423.10	0.32	-67.04
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CCC[NH+]2CCCCC2)C1	REAL300025362894	0	55	0.0	-66.29	440.14	3.05	-63.24
C[NH+](C)CC1=CC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300025362906	1	48	0.0	-75.90	410.35	0.82	-75.08
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025362935	1	50	0.0	-60.56	420.40	2.53	-58.03
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300025362963	0	53	0.0	-58.52	416.22	2.42	-56.10
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300025362963	1	53	0.0	-58.51	416.36	2.35	-56.16
CC[N@@H+]1CCOC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025362977	1	50	0.0	-73.75	407.28	0.72	-73.03
CC[N@H+]1CCOC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025362977	1	50	0.0	-68.43	405.12	0.76	-67.67
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300025363017	0	44	0.0	-67.21	379.65	2.86	-64.35
CC1=C[NH+]=CN1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363022	1	44	0.0	-65.58	384.41	2.15	-63.43
C[C@@H]1[C@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025363031	0	49	0.0	-68.07	391.24	1.11	-66.96
C[C@@H]1[C@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025363031	1	49	0.0	-63.87	396.03	1.32	-62.55
CC[C@@H]1[C@@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025363035	0	52	0.0	-65.33	408.54	1.29	-64.04
CC[C@@H]1[C@@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025363035	1	52	0.0	-65.42	414.67	1.73	-63.69
CC1CCC(C)[NH+]1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363046	0	52	0.0	-61.11	411.58	1.82	-59.29
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300025363052	0	52	0.0	-66.72	422.53	2.16	-64.56
C#CC[NH+]1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025363057	0	51	0.0	-71.62	421.79	2.39	-69.23
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300025363058	0	52	0.0	-65.83	417.83	2.13	-63.70
CC[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363063	0	52	0.0	-61.51	413.96	2.01	-59.50
CC[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363063	1	52	0.0	-62.13	414.02	2.03	-60.10
C[NH+](C)C1(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025363096	0	55	0.0	-67.08	418.18	2.26	-64.82
C[N@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025363217	0	49	0.0	-62.35	400.87	1.79	-60.56
C[N@@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025363217	1	49	0.0	-62.78	400.40	1.71	-61.07
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1C(C)CCC1C	REAL300025363234	0	55	0.0	-60.36	413.70	1.52	-58.84
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300025363246	0	55	0.0	-67.54	443.99	2.94	-64.60
C[NH+]1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025363257	0	49	0.0	-67.24	399.88	1.37	-65.87
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363292	0	46	0.0	-62.14	373.57	0.28	-61.86
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363292	1	46	0.0	-61.94	377.63	0.72	-61.22
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363313	1	48	0.0	-62.65	400.35	1.51	-61.14
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363313	1	48	0.0	-62.00	405.81	1.97	-60.03
C[N@@H+]1CCCC1CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363318	0	52	0.0	-65.48	416.21	1.77	-63.71
C[N@H+]1CCCC1CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363318	1	52	0.0	-66.39	416.38	1.86	-64.53
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300025363325	0	53	0.0	-67.08	404.60	1.56	-65.52
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300025363328	0	53	0.0	-59.76	420.21	2.61	-57.15
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300025363328	1	53	0.0	-61.19	414.98	2.28	-58.91
CCC[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025363390	0	55	0.0	-64.94	435.77	2.55	-62.39
CCC[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025363390	1	55	0.0	-65.42	433.52	2.54	-62.88
CC(C)[N@@H+]1CCOC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025363404	0	53	0.0	-67.47	421.85	1.21	-66.26
CC(C)[N@H+]1CCOC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025363404	1	53	0.0	-60.77	410.27	0.94	-59.83
C[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363425	0	49	0.0	-63.05	395.97	1.38	-61.67
C[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363425	1	49	0.0	-63.22	395.97	1.30	-61.92
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363445	0	55	0.0	-63.36	427.08	3.12	-60.24
CC(C)C[N@H+]1CCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363445	1	55	0.0	-63.05	432.35	2.41	-60.64
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300025363458	0	53	0.0	-65.87	427.83	-1.02	-66.89
CC1C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025363499	0	49	0.0	-63.91	396.10	1.29	-62.62
CC1C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025363499	1	49	0.0	-67.83	391.43	1.06	-66.77
C[N@@H+]1CCCCC1CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363501	0	55	0.0	-68.47	428.49	2.55	-65.92
C[N@H+]1CCCCC1CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363501	1	55	0.0	-68.43	428.60	2.55	-65.88
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363579	0	52	0.0	-61.14	416.31	1.47	-59.67
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363579	1	52	0.0	-60.82	395.60	0.77	-60.05
C[C@@H](C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025363597	0	45	0.0	-62.77	371.84	0.11	-62.66
C=CCC(C)(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025363611	0	52	0.0	-62.19	401.09	2.00	-60.19
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025363631	0	49	0.0	-66.00	402.74	1.55	-64.45
C[N@H+](CCO)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363641	1	46	0.0	-65.86	382.41	-2.83	-68.69
C[N@@H+](CCO)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363641	1	46	0.0	-64.40	382.53	-2.76	-67.16
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300025363674	0	52	0.0	-73.23	398.84	-1.18	-74.41
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300025363674	1	52	0.0	-72.50	402.55	-0.92	-73.42
C[N@H+]1CC=C(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025363720	0	50	0.0	-67.08	413.58	2.15	-64.93
C[N@@H+]1CC=C(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025363720	1	50	0.0	-65.83	413.67	2.14	-63.69
C[S+](C)CCC(O)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363734	0	48	0.0	-71.95	416.89	-0.68	-72.63
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363752	0	50	0.0	-65.54	392.95	-1.82	-67.36
C[N@H+]1CC(O)CC1(C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363752	1	50	0.0	-63.17	399.14	-2.54	-65.71
CN1CC[N@H+](C)CC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025363762	0	54	0.0	-64.61	420.10	-0.38	-64.99
CN1CC[N@@H+](C)CC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025363762	1	54	0.0	-72.78	427.41	-0.69	-73.47
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300025363763	0	53	0.0	-60.89	422.81	-1.18	-62.07
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300025363763	1	53	0.0	-63.86	424.66	-1.33	-65.19
C[N@@H+]1CCCC(O)(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025363791	0	53	0.0	-61.63	415.23	-0.01	-61.64
C[N@H+]1CCCC(O)(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025363791	1	53	0.0	-61.16	424.95	0.20	-60.96
CC1C[NH+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025363795	1	46	0.0	-64.75	385.71	0.89	-63.86
CC[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025363801	0	52	0.0	-61.22	408.00	1.99	-59.23
CC[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025363801	1	52	0.0	-64.31	414.26	1.86	-62.45
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025363817	0	50	0.0	-59.93	411.04	2.27	-57.66
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025363817	1	50	0.0	-60.21	403.70	1.53	-58.68
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300025363852	0	50	0.0	-67.50	414.72	2.00	-65.50
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300025363870	0	53	0.0	-67.60	421.42	2.39	-65.21
CC[N@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025363908	0	45	0.0	-64.27	372.39	0.47	-63.80
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2CC3C=CC2C3)C1	REAL300025363953	0	48	0.0	-62.48	393.78	1.70	-60.78
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300025363953	1	48	0.0	-62.46	393.38	1.67	-60.79
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300025363953	1	48	0.0	-62.46	393.38	1.67	-60.79
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300025364024	0	49	0.0	-73.19	389.08	-1.89	-75.08
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300025364059	0	53	0.0	-60.83	405.74	1.80	-59.03
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CCC[N@H+]2CCCC3)C1	REAL300025364059	1	53	0.0	-60.83	405.74	1.80	-59.03
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300025364065	0	51	0.0	-60.86	399.37	1.61	-59.25
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300025364065	1	51	0.0	-60.86	399.37	1.61	-59.25
CC(OCC[NH+](C)C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364074	0	52	0.0	-63.93	427.82	1.43	-62.50
C[NH+](C)CCOCCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364082	0	52	0.0	-67.24	431.46	0.60	-66.64
COCCN(C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364084	0	49	0.0	-63.97	404.78	-0.36	-64.33
COCC[N@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364084	1	49	0.0	-65.90	404.66	-0.43	-66.33
COCC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364084	1	49	0.0	-65.90	404.66	-0.43	-66.33
CC(CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025364089	0	51	0.0	-65.70	411.99	1.56	-64.14
CC[N@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025364111	0	49	0.0	-61.80	400.47	1.83	-59.97
CC1C[N@@H+]2CCN1C(C(=O)N1CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025364126	0	52	0.0	-64.73	392.31	0.53	-64.20
C[N@@H+]1CC2CC1(C(=O)N1CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025364148	0	47	0.0	-67.53	382.21	0.76	-66.77
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300025364161	0	50	0.0	-62.63	398.91	1.64	-60.99
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300025364161	1	50	0.0	-61.55	398.69	1.65	-59.90
CC(C[NH+](C)C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364180	0	48	0.0	-77.16	394.10	0.94	-76.22
C[NH+](C)C1(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025364195	0	46	0.0	-63.56	379.87	0.56	-63.00
C[C@H](C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025364218	0	45	0.0	-62.78	371.88	0.20	-62.58
CC[N@@H+]1CCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364224	1	46	0.0	-63.80	386.26	0.77	-63.03
CC[N@H+]1CCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364224	1	46	0.0	-63.98	385.96	0.70	-63.28
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025364234	0	55	0.0	-67.02	424.14	2.46	-64.56
CC(C)[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025364234	1	55	0.0	-63.45	430.90	2.32	-61.13
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364246	0	54	0.0	-62.50	419.49	0.27	-62.23
C#CC[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364285	1	51	0.0	-62.09	408.50	2.18	-59.91
C#CC[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364285	1	51	0.0	-60.19	421.02	2.48	-57.71
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300025364287	0	42	0.0	-65.47	362.26	-2.22	-67.69
CCCC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025364296	0	51	0.0	-62.99	408.49	1.70	-61.29
C[NH+](C)C(C)(C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364303	0	48	0.0	-66.49	377.37	0.71	-65.78
CC(CC[NH+](C)C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364321	0	51	0.0	-76.70	415.76	1.56	-75.14
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300025364378	0	51	0.0	-60.14	410.47	1.95	-58.19
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300025364378	1	51	0.0	-63.32	407.86	3.09	-60.23
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364407	0	52	0.0	-62.92	417.12	1.82	-61.10
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364407	1	52	0.0	-64.96	413.95	1.37	-63.59
C[NH+](C)CCCCCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364410	0	54	0.0	-68.43	441.50	2.72	-65.71
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+]2CCC(O)CC2)C1	REAL300025364414	0	53	0.0	-69.12	429.39	-1.18	-70.30
CCC[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364418	0	55	0.0	-59.74	435.17	2.75	-56.99
CCC[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364418	1	55	0.0	-61.39	423.95	2.31	-59.08
C[NH+]1CCN(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025364427	1	51	0.0	-68.07	413.44	-0.70	-68.77
CC1C[N@H+](C)CC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025364509	1	50	0.0	-71.33	401.32	0.42	-70.91
CC1C[N@@H+](C)CC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025364509	1	50	0.0	-71.74	401.05	0.43	-71.31
CCC1CCC[N@H+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025364538	0	55	0.0	-64.40	435.26	2.84	-61.56
CCC1CCC[N@@H+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025364538	1	55	0.0	-64.36	435.27	2.84	-61.52
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300025364546	0	50	0.0	-74.28	416.70	1.11	-73.17
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025364559	0	47	0.0	-63.98	390.10	1.68	-62.30
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC2([NH+]3CCCC3)CC2)C1	REAL300025364570	0	53	0.0	-62.18	419.53	2.56	-59.62
C[N@@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364603	0	49	0.0	-63.05	395.97	1.38	-61.67
C[N@H+]1CCCCC1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364603	1	49	0.0	-63.22	395.97	1.30	-61.92
C[N@@H+]1CCC(=CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025364702	0	47	0.0	-70.05	392.06	1.29	-68.76
C[N@H+]1CCC(=CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025364702	1	47	0.0	-69.56	393.03	1.35	-68.21
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300025364707	0	45	0.0	-65.30	390.02	-1.00	-66.30
CC1(NC(=O)CSC2=NC(=O)NN2)CN(C(=O)CN=[N+]=[N-])C1	REAL300025364751	0	36	0.0	-22.65	331.24	-4.67	-27.32
CC[NH+]1CCN(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025364758	0	54	0.0	-66.68	430.67	-0.06	-66.74
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C=C2C[NH+]3CCC2CC3)C1	REAL300025364761	0	51	0.0	-65.15	410.88	2.21	-62.94
C[NH+](C)C1(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025364794	0	52	0.0	-62.07	394.41	1.92	-60.15
C[N@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300025364802	0	53	0.0	-61.61	424.94	-0.87	-62.48
C[N@@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300025364802	1	53	0.0	-63.51	425.62	-1.00	-64.51
CCC1C[NH+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025364805	1	49	0.0	-65.55	406.87	1.62	-63.93
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2([NH+]3CCCC3)CCC2)C1	REAL300025364808	0	53	0.0	-60.19	408.60	1.99	-58.20
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364820	0	46	0.0	-62.02	380.17	0.74	-61.28
C[N@H+]1CCC[C@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364820	1	46	0.0	-62.33	373.35	0.22	-62.11
CC[N@@H+]1CCOCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364842	0	53	0.0	-67.79	417.64	0.08	-67.71
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025364946	0	49	0.0	-64.44	404.03	1.46	-62.98
C[NH+](C)C1CCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025364957	0	55	0.0	-67.54	423.77	2.23	-65.31
C[NH+](C)CCC1(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025364958	0	52	0.0	-61.21	424.64	2.15	-59.06
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025364959	0	55	0.0	-73.53	423.75	2.22	-71.31
C[N@@H+]1CC=CCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364960	0	50	0.0	-68.11	405.57	1.79	-66.32
C[N@H+]1CC=CCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364960	1	50	0.0	-68.11	405.57	1.79	-66.32
C[NH+](C)CCOCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365012	0	49	0.0	-67.63	410.15	0.82	-66.81
CCCCC[N@H+](C)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365017	0	57	0.0	-67.86	458.90	3.26	-64.60
CCCCC[N@@H+](C)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365017	1	57	0.0	-67.86	458.90	3.26	-64.60
C[NH+](C)C[C@@H]1CC[C@H](C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025365028	0	53	0.0	-68.23	432.94	1.75	-66.48
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2C=CSC2=[NH2+])C1	REAL300025365051	0	42	0.0	-62.08	381.71	-0.02	-62.10
C[C@@H](OCC[NH+](C)C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365116	0	52	0.0	-66.82	425.54	1.35	-65.47
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+]2CCCCCC2)C1	REAL300025365147	0	55	0.0	-66.91	428.27	2.36	-64.55
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300025365150	0	49	0.0	-63.88	396.06	1.60	-62.28
C[N@@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025365152	0	49	0.0	-68.38	390.57	1.21	-67.17
C[N@H+]1CCCC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025365152	1	49	0.0	-67.83	389.70	1.38	-66.45
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300025365153	0	53	0.0	-65.87	427.83	-1.02	-66.89
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300025365154	0	52	0.0	-63.43	405.39	1.79	-61.64
CN1C=C[N+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025365159	0	44	0.0	-63.68	385.87	3.31	-60.37
C[NH+](C)CC1=CC=C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025365174	1	49	0.0	-69.32	416.84	1.57	-67.75
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300025365189	1	50	0.0	-67.97	407.24	-1.67	-69.64
C[N@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025365193	0	46	0.0	-62.04	383.70	1.22	-60.82
C[N@@H+](CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025365193	1	46	0.0	-62.82	383.72	1.15	-61.67
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300025365195	1	54	0.0	-69.45	431.68	-0.23	-69.68
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[N@@H+]2CCC(F)C2)C1	REAL300025365197	0	49	0.0	-68.60	408.60	1.51	-67.09
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300025365197	1	49	0.0	-68.83	408.88	1.54	-67.29
COC1C[N@H+](C)C(C)(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025365206	0	53	0.0	-67.71	417.10	-0.12	-67.83
COC1C[N@@H+](C)C(C)(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025365206	1	53	0.0	-62.14	421.82	-0.11	-62.25
CCOCC(N=[N+]=[N-])C(=O)N1CC(C)(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025365214	0	46	0.0	-22.40	406.54	-4.01	-26.41
CC(CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025365222	0	51	0.0	-67.86	411.93	1.83	-66.03
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@@H+]3CCOCC23)C1	REAL300025365234	0	51	0.0	-64.31	408.51	0.00	-64.31
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@H+]3CCOCC23)C1	REAL300025365234	1	51	0.0	-69.50	412.60	0.04	-69.46
C[N@@H+]1CCOCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365251	1	50	0.0	-64.48	397.43	-0.59	-65.07
C[N@H+]1CCOCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365251	1	50	0.0	-61.20	397.54	-0.50	-61.70
CC[NH+]1CCN(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025365259	0	54	0.0	-66.68	430.67	-0.06	-66.74
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C1	REAL300025365348	0	50	0.0	-65.31	410.51	-1.88	-67.19
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1	REAL300025365348	1	50	0.0	-64.30	410.56	-1.79	-66.09
C[NH+]1CC(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025365380	0	46	0.0	-67.78	385.59	0.55	-67.23
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300025365384	0	53	0.0	-63.24	422.02	2.39	-60.85
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300025365384	1	53	0.0	-62.79	419.27	2.21	-60.58
C[NH+](C)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365392	0	42	0.0	-65.45	354.29	-0.27	-65.72
C[N@H+](CCO)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365418	0	49	0.0	-66.01	404.75	-2.26	-68.27
C[N@@H+](CCO)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365418	1	49	0.0	-66.67	404.73	-2.29	-68.96
C[C@@H](C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025365419	0	45	0.0	-62.77	371.84	0.11	-62.66
C[N@@H+]1CCCCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365436	0	52	0.0	-58.48	406.03	1.78	-56.70
C[N@H+]1CCCCC1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365436	1	52	0.0	-67.22	413.56	1.90	-65.32
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025365453	0	49	0.0	-71.94	405.51	1.30	-70.64
CC1CC[N@@H+]1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365457	1	46	0.0	-62.82	380.68	0.61	-62.21
CC1CC[N@H+]1CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365457	1	46	0.0	-63.95	385.68	0.89	-63.06
C[NH+](C)CC=CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365468	0	46	0.0	-70.70	391.40	0.95	-69.75
CC1(C)C[NH+](CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025365479	1	49	0.0	-64.38	404.80	1.40	-62.98
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300025365494	1	50	0.0	-61.02	424.53	1.01	-60.01
C[NH+](C)CCSCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365511	0	49	0.0	-71.16	421.17	1.67	-69.49
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300025365534	0	50	0.0	-63.60	407.29	-1.72	-65.32
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300025365534	1	50	0.0	-63.40	408.94	-1.61	-65.01
CC[NH+](CC)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365538	0	48	0.0	-62.47	390.74	1.15	-61.32
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC2)C1	REAL300025365549	1	43	0.0	-64.74	364.52	0.23	-64.51
CC[NH+](CC)CCC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365589	0	51	0.0	-65.31	412.58	1.72	-63.59
C[NH+](C)CC1=CNC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025365646	0	50	0.0	-68.99	416.47	1.06	-67.93
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC(O)CC1	REAL300025365663	0	53	0.0	-64.26	415.38	-1.61	-65.87
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC3COCC[N@@H+]3C2)C1	REAL300025365667	0	51	0.0	-66.81	411.36	0.04	-66.77
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC3COCC[N@H+]3C2)C1	REAL300025365667	1	51	0.0	-67.10	412.38	0.03	-67.07
CC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025365678	1	46	0.0	-62.57	380.20	0.59	-61.98
CCC(CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025365683	0	54	0.0	-67.65	426.15	2.27	-65.38
C[NH+](C)CC(C)(C)C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365691	0	51	0.0	-66.59	398.12	1.04	-65.55
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365743	0	49	0.0	-62.41	384.67	0.93	-61.48
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365743	1	49	0.0	-63.21	395.99	1.30	-61.91
CC1CN2CC[N@@H+]1CC2C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365757	0	52	0.0	-71.00	405.65	-1.45	-72.45
CC1CN2CC[N@H+]1CC2C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365757	1	52	0.0	-71.01	405.68	-1.42	-72.43
C[NH+](C)CC(O)CC(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365777	0	49	0.0	-70.31	406.89	-1.20	-71.51
C[NH+]1C2CCC1CC(C(=O)N1CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025365779	0	53	0.0	-66.22	391.59	1.91	-64.31
C=CCC(C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025365809	0	49	0.0	-62.25	401.22	1.46	-60.79
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC3CCCC[N@@H+]3C2)C1	REAL300025365816	0	53	0.0	-62.21	419.14	2.36	-59.85
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC3CCCC[N@H+]3C2)C1	REAL300025365816	1	53	0.0	-62.24	419.29	2.38	-59.86
C[NH+]1CCC(C)(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025365827	0	52	0.0	-61.84	404.64	1.37	-60.47
C[NH+]1CCC(O)(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025365829	0	53	0.0	-66.91	424.97	0.17	-66.74
CC1(NC(=O)CSC(N)=[NH2+])CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365853	0	40	0.0	-67.86	363.17	-3.31	-71.17
CCN1CCOCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365876	0	53	0.0	-67.35	418.11	0.16	-67.19
CC[N@@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365876	1	53	0.0	-67.04	418.01	0.16	-66.88
CC[N@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365876	1	53	0.0	-67.04	418.01	0.16	-66.88
C[NH+](C)C1CCC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025365887	0	55	0.0	-69.00	426.72	2.51	-66.49
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025365888	0	55	0.0	-58.76	426.90	2.53	-56.23
C[N@@H+]1CC=CCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365889	0	50	0.0	-60.73	400.82	1.81	-58.92
C[N@H+]1CC=CCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365889	1	50	0.0	-60.73	400.82	1.81	-58.92
C[C@@H](OCC[NH+](C)C)C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365909	0	52	0.0	-64.15	430.26	1.49	-62.66
C[NH+]1C2CCC1CC(C(=O)NC1(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025365927	0	53	0.0	-66.80	391.83	2.03	-64.77
C[N@H+]1CCC[C@H]1C(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366006	1	46	0.0	-67.94	374.40	0.37	-67.57
CC1(NC(=O)CC[N@H+]2CCC(F)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366013	1	49	0.0	-70.51	408.53	1.56	-68.95
CC1(NC(=O)CC[NH+]2CCCCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366027	0	55	0.0	-69.89	428.44	2.46	-67.43
CC1(NC(=O)C[NH+]2CCCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366029	0	49	0.0	-66.30	396.03	1.61	-64.69
CC1C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025366036	0	49	0.0	-65.68	401.19	1.23	-64.45
CC1C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025366036	1	49	0.0	-67.02	390.02	0.79	-66.23
C[N@@H+]1CCCCC1CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366038	0	55	0.0	-67.39	435.71	2.74	-64.65
C[N@H+]1CCCCC1CCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366038	1	55	0.0	-65.84	435.79	2.76	-63.08
CC1(NC(=O)C2CC[N@@H+]3CCOCC23)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366057	0	51	0.0	-71.03	413.45	0.10	-70.93
CC1(NC(=O)C2CC[N@H+]3CCOCC23)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366057	1	51	0.0	-70.52	413.27	0.03	-70.49
CN1CCOCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366074	0	50	0.0	-62.76	397.76	-0.52	-63.28
C[N@@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366074	1	50	0.0	-72.45	405.16	-0.36	-72.81
C[N@H+]1CCOCC1CC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366074	1	50	0.0	-62.76	397.76	-0.52	-63.28
CC1=C(C)[NH+]=C(CCC(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300025366081	1	50	0.0	-62.61	424.89	1.11	-61.50
CCOCC(N=[N+]=[N-])C(=O)NC1(C)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025366084	0	46	0.0	-22.41	407.60	-3.89	-26.30
C[NH+](C)CCSCC(=O)NC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366146	0	49	0.0	-71.66	421.20	1.67	-69.99
CC1(NC(=O)C2CC3COCC[N@@H+]3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366151	0	51	0.0	-67.51	412.81	0.17	-67.34
CC1(NC(=O)C2CC3COCC[N@H+]3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366151	1	51	0.0	-65.93	412.76	0.19	-65.74
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366250	0	55	0.0	-69.12	422.72	3.06	-66.06
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366250	1	55	0.0	-60.50	422.85	3.24	-57.26
CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C)[NH+](C)C	REAL300025366341	0	57	0.0	-56.78	427.75	3.14	-53.64
CCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366345	0	57	0.0	-73.02	436.37	3.52	-69.50
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366345	1	57	0.0	-61.73	436.25	3.61	-58.12
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366351	0	55	0.0	-64.52	417.00	2.74	-61.78
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366351	1	55	0.0	-60.61	422.13	3.27	-57.34
CC[NH+](CC)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366354	0	57	0.0	-71.65	433.17	3.48	-68.17
CC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366394	0	57	0.0	-75.43	437.16	3.33	-72.10
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366394	1	57	0.0	-75.44	437.16	3.32	-72.12
CC[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C)[NH+](C)C	REAL300025366397	0	57	0.0	-61.29	427.63	3.21	-58.08
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366412	0	51	0.0	-73.35	397.08	2.12	-71.23
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C)[NH+]1CCC1	REAL300025366416	1	55	0.0	-62.42	427.34	3.20	-59.22
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C)C1CC1	REAL300025366422	0	55	0.0	-69.94	426.32	3.53	-66.41
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C)C1CC1	REAL300025366422	1	55	0.0	-70.46	426.46	3.53	-66.93
C[NH+]1CC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2(C)C)C1	REAL300025366427	0	55	0.0	-74.07	428.51	2.94	-71.13
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C)[NH+](C)C	REAL300025366434	0	54	0.0	-71.23	415.17	2.52	-68.71
CC1(C)CCN(C(=O)CSC2=NC(=O)NN2)CC1NC(=O)CN=[N+]=[N-]	REAL300025366437	0	45	0.0	-23.68	374.00	-2.21	-25.89
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C)[NH+](C)C	REAL300025366452	0	54	0.0	-71.23	415.17	2.52	-68.71
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C)[NH+](C)C	REAL300025366476	0	54	0.0	-58.29	415.17	2.63	-55.66
CC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2(C)C)C1	REAL300025366482	1	55	0.0	-61.63	428.00	3.28	-58.35
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366496	0	54	0.0	-72.79	414.87	2.78	-70.01
CC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366496	1	54	0.0	-61.34	414.75	2.87	-58.47
C[NH+](C)CC=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366510	0	55	0.0	-69.06	433.00	3.43	-65.63
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366515	1	55	0.0	-60.56	421.82	2.92	-57.64
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366515	1	55	0.0	-61.17	428.65	3.20	-57.97
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366556	0	57	0.0	-63.24	435.46	3.47	-59.77
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366564	1	55	0.0	-71.93	428.38	3.21	-68.72
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025366564	1	55	0.0	-72.38	428.47	3.19	-69.19
C[N@@H+]1CCCC1C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366671	0	55	0.0	-67.76	418.82	2.85	-64.91
C[N@H+]1CCCC1C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366671	1	55	0.0	-68.44	419.74	2.94	-65.50
CCC(C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025366742	0	57	0.0	-67.17	425.24	3.01	-64.16
CCC[N@H+](C)CC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366746	0	57	0.0	-72.03	436.26	3.50	-68.53
CCC[N@@H+](C)CC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366746	1	57	0.0	-71.99	436.26	3.51	-68.48
CC[N@H+](C)CCC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366763	0	57	0.0	-77.19	437.14	3.29	-73.90
CC[N@@H+](C)CCC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366763	1	57	0.0	-74.62	437.13	3.35	-71.27
CC[C@@H](C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025366803	0	57	0.0	-67.24	421.36	2.91	-64.33
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366849	0	55	0.0	-75.24	416.00	2.53	-72.71
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366849	1	55	0.0	-69.08	418.80	2.93	-66.15
C[C@@H](C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025366903	0	54	0.0	-71.29	412.87	2.34	-68.95
CC1C[NH+](CC(=O)N2CCC(C)(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025366927	1	55	0.0	-75.03	427.04	3.14	-71.89
CC[N@H+](C)CC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366945	0	54	0.0	-71.75	414.76	2.75	-69.00
CC[N@@H+](C)CC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366945	1	54	0.0	-71.64	414.76	2.76	-68.88
CC(C[NH+](C)C)C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366975	0	57	0.0	-76.47	436.21	3.28	-73.19
C[NH+](C)C1(C(=O)N2CCC(C)(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025366978	0	55	0.0	-76.80	421.36	2.65	-74.15
C[C@H](C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025366982	0	54	0.0	-69.10	413.01	2.43	-66.67
CC[N@@H+]1CCC1C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366985	1	55	0.0	-72.46	427.69	2.99	-69.47
CC[N@H+]1CCC1C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366985	1	55	0.0	-72.18	428.07	3.07	-69.11
C[NH+](C)C(C)(C)C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366993	0	57	0.0	-76.05	417.72	2.45	-73.60
CC1(C)CCN(C(=O)CN=[N+]=[N-])CC1NC(=O)CSC1=NC(=O)NN1	REAL300025367039	0	45	0.0	-24.59	374.07	-2.32	-26.91
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025367052	0	55	0.0	-67.76	418.87	2.88	-64.88
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025367052	1	55	0.0	-72.56	415.55	2.62	-69.94
C[N@H+](CC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025367089	0	55	0.0	-68.81	426.30	3.49	-65.32
C[N@@H+](CC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025367089	1	55	0.0	-69.52	426.50	3.50	-66.02
C[NH+]1CC(CC(=O)N2CCC(C)(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025367117	0	55	0.0	-74.14	428.39	2.97	-71.17
C[NH+](C)CC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025367120	0	51	0.0	-74.46	397.04	2.01	-72.45
C[C@@H](C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025367123	0	54	0.0	-71.29	412.87	2.34	-68.95
CC1CC[N@@H+]1CC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025367130	1	55	0.0	-70.64	428.31	3.22	-67.42
CC1CC[N@H+]1CC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025367130	1	55	0.0	-69.79	422.80	2.90	-66.89
C[NH+](C)CC=CC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025367131	0	55	0.0	-80.83	431.94	3.23	-77.60
CC[NH+](CC)CC(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025367137	0	57	0.0	-72.19	428.45	3.08	-69.11
CC1(C)CCN(C(=O)C[NH+]2CCC2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025367138	1	52	0.0	-74.76	407.34	2.45	-72.31
CC(C(=O)N1CCC(C)(C)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025367160	1	55	0.0	-71.32	416.15	2.54	-68.78
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025367224	0	55	0.0	-69.09	422.73	3.07	-66.02
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025367224	1	55	0.0	-64.53	416.97	2.74	-61.79
C[NH+](C)CC(=O)NC1CCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025367273	0	55	0.0	-70.33	420.68	3.43	-66.90
[N-]=[N+]=NCC(=O)NC1CCCC12CCN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300025367278	0	49	0.0	-23.94	397.65	-0.97	-24.91
[N-]=[N+]=NCC(=O)N1CCC2(CCCC2NC(=O)CSC2=NC(=O)NN2)CC1	REAL300025367340	0	49	0.0	-24.36	397.63	-1.07	-25.43
C[NH+](C)CC(=O)N1CCC2(CCCC2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025367347	0	55	0.0	-73.31	420.67	3.34	-69.97
C[N@@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025367496	0	49	0.0	-68.79	397.22	2.03	-66.76
C[N@H+]1CCCC1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025367496	1	49	0.0	-69.42	399.24	2.06	-67.36
CC1=[NH+]C=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025367625	1	47	0.0	-69.38	400.31	2.55	-66.83
CC1=C[NH+]=CN1CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025367691	1	47	0.0	-72.22	400.64	3.28	-68.94
CCC(C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F)[NH+](C)C	REAL300025367700	0	51	0.0	-69.30	401.54	1.94	-67.36
CCC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025367713	0	51	0.0	-73.64	412.11	2.41	-71.23
CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025367713	1	51	0.0	-72.99	412.11	2.43	-70.56
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025367724	0	49	0.0	-72.68	392.88	1.54	-71.14
C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025367724	1	49	0.0	-69.39	399.20	2.08	-67.31
CC[NH+](CC)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025367734	0	51	0.0	-71.02	404.47	2.09	-68.93
CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025367830	0	51	0.0	-73.75	412.59	2.19	-71.56
CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025367830	1	51	0.0	-73.79	412.60	2.19	-71.60
CC[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F)[NH+](C)C	REAL300025367836	0	51	0.0	-71.83	406.68	2.59	-69.24
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025367865	0	45	0.0	-73.23	372.88	1.01	-72.22
CN1C=C[N+](CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2F)=C1	REAL300025367866	0	47	0.0	-70.74	403.73	4.50	-66.24
C[N@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F)C1CC1	REAL300025367882	0	49	0.0	-68.69	400.14	2.34	-66.35
C[N@@H+](CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F)C1CC1	REAL300025367882	1	49	0.0	-68.21	403.17	2.43	-65.78
C[NH+]1CC(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2F)C1	REAL300025367891	0	49	0.0	-72.57	404.32	1.82	-70.75
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F)[NH+](C)C	REAL300025367900	0	48	0.0	-68.72	391.87	1.43	-67.29
[N-]=[N+]=NCC(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)CC1F	REAL300025367906	0	39	0.0	-26.50	347.84	-3.46	-29.96
C[C@@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F)[NH+](C)C	REAL300025367931	0	48	0.0	-68.72	391.87	1.43	-67.29
C[N@@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2F)C1	REAL300025367964	0	50	0.0	-75.54	411.77	2.54	-73.00
C[N@H+]1CCC(=CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2F)C1	REAL300025367964	1	50	0.0	-73.69	411.66	2.60	-71.09
C[C@H](C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F)[NH+](C)C	REAL300025367978	0	48	0.0	-69.03	391.90	1.44	-67.59
C[N@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025368001	1	49	0.0	-73.59	400.96	-1.57	-75.16
C[N@@H+](CCO)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025368001	1	49	0.0	-73.71	400.75	-1.58	-75.29
CC[N@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025368013	0	48	0.0	-73.12	390.61	1.66	-71.46
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025368013	1	48	0.0	-73.05	390.61	1.66	-71.39
C[NH+](C)CC=CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025368037	0	49	0.0	-75.31	408.10	2.19	-73.12
O=C(C[NH+]1CC2CC2C1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025368070	0	50	0.0	-71.55	406.35	2.84	-68.71
C[NH+](C)C(C)(C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025368075	0	51	0.0	-75.58	398.33	2.10	-73.48
C[NH+](C)C1(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2F)CC1	REAL300025368110	0	49	0.0	-72.45	396.83	2.24	-70.21
C[N@@H+]1CC2CC1(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1F)C2	REAL300025368119	1	50	0.0	-73.17	403.30	2.09	-71.08
C[N@H+]1CC2CC1(C(=O)NC1CCN(C(=O)CSC3=NNC(=O)[N-]3)CC1F)C2	REAL300025368119	1	50	0.0	-75.36	402.91	2.13	-73.23
CC(C[NH+](C)C)C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025368150	0	51	0.0	-72.35	409.35	2.21	-70.14
C[N@@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368331	0	49	0.0	-66.25	394.29	1.65	-64.60
C[N@H+]1CCCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368331	1	49	0.0	-70.09	393.60	1.69	-68.40
CCC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1)[NH+](C)C	REAL300025368475	0	51	0.0	-67.55	400.16	1.80	-65.75
CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368484	0	51	0.0	-69.24	412.13	2.30	-66.94
CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368484	1	51	0.0	-69.26	412.12	2.31	-66.95
CC[N@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368516	0	51	0.0	-75.06	413.87	2.18	-72.88
CC[N@@H+](C)CCC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368516	1	51	0.0	-75.07	413.87	2.18	-72.89
CC[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1)[NH+](C)C	REAL300025368593	0	51	0.0	-66.60	403.24	1.87	-64.73
CC1=[NH+]C=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368624	1	47	0.0	-67.22	400.86	2.44	-64.78
CC1=C[NH+]=CN1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368640	1	47	0.0	-72.83	402.45	3.20	-69.63
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368675	0	49	0.0	-72.26	389.98	1.36	-70.90
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368675	1	49	0.0	-71.83	396.49	1.77	-70.06
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1)[NH+](C)C	REAL300025368769	0	48	0.0	-67.90	388.98	1.25	-66.65
C[N@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368787	1	49	0.0	-70.13	400.98	-1.68	-71.81
C[N@@H+](CCO)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368787	1	49	0.0	-69.12	400.76	-1.66	-70.78
CC1C[NH+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(F)C2)C1	REAL300025368821	1	49	0.0	-69.18	404.17	1.98	-67.20
CC[N@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368849	0	48	0.0	-68.95	390.63	1.55	-67.40
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368849	1	48	0.0	-68.90	390.63	1.56	-67.34
C[N@@H+]1CC2CC1(C(=O)N1CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(F)C1)C2	REAL300025368900	0	50	0.0	-76.59	400.15	2.13	-74.46
C[N@H+]1CC2CC1(C(=O)N1CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(F)C1)C2	REAL300025368900	1	50	0.0	-71.91	400.22	2.00	-69.91
CC(C[NH+](C)C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368908	0	51	0.0	-70.30	410.55	1.99	-68.31
C[NH+](C)C1(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(F)C2)CC1	REAL300025368913	0	49	0.0	-71.97	394.51	1.46	-70.51
C[C@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1)[NH+](C)C	REAL300025368922	0	48	0.0	-71.85	389.06	1.23	-70.62
CC[N@@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368925	1	49	0.0	-71.17	395.36	1.48	-69.69
CC[N@H+]1CCC1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368925	1	49	0.0	-67.63	395.64	1.51	-66.12
NC1=CC=[NH+]C=C1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368935	0	45	0.0	-70.45	383.39	-1.19	-71.64
C[NH+](C)C(C)(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025368940	0	51	0.0	-67.75	393.13	1.31	-66.44
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CC3CC3C2)CC1F	REAL300025368993	0	50	0.0	-68.84	408.35	2.79	-66.05
C[N@@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(F)C2)C1	REAL300025369015	0	50	0.0	-82.71	407.57	2.44	-80.27
C[N@H+]1CCC(=CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(F)C2)C1	REAL300025369015	1	50	0.0	-77.76	410.51	2.53	-75.23
[N-]=[N+]=NCC(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)C(F)C1	REAL300025369021	0	39	0.0	-24.56	350.73	-3.49	-28.05
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025369036	0	49	0.0	-76.61	395.85	1.71	-74.90
C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025369036	1	49	0.0	-69.11	390.97	1.42	-67.69
CN1C=C[N+](CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(F)C2)=C1	REAL300025369096	0	47	0.0	-67.62	404.13	4.40	-63.22
C[N@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1)C1CC1	REAL300025369104	0	49	0.0	-77.35	400.14	2.24	-75.11
C[N@@H+](CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1)C1CC1	REAL300025369104	1	49	0.0	-67.56	401.87	2.27	-65.29
C[NH+]1CC(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(F)C2)C1	REAL300025369147	0	49	0.0	-74.25	402.18	1.70	-72.55
C[NH+](C)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025369152	0	45	0.0	-74.03	370.90	0.83	-73.20
C[C@@H](C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1)[NH+](C)C	REAL300025369158	0	48	0.0	-67.90	388.98	1.25	-66.65
CC1CC[N@@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025369171	1	49	0.0	-71.39	399.52	1.72	-69.67
CC1CC[N@H+]1CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025369171	1	49	0.0	-67.80	398.23	1.68	-66.12
C[NH+](C)CC=CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025369172	0	49	0.0	-79.87	409.04	2.16	-77.71
CC[NH+](CC)CC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1	REAL300025369185	0	51	0.0	-71.73	409.49	2.24	-69.49
CC(C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(F)C1)[NH+]1CCC1	REAL300025369225	1	49	0.0	-71.22	391.32	1.42	-69.80
NC(=[NH2+])SCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025369276	0	43	0.0	-73.90	381.03	-2.15	-76.05
C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025369323	0	49	0.0	-68.17	396.59	1.90	-66.27
C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1F	REAL300025369323	1	49	0.0	-69.66	393.69	1.56	-68.10
C[N@@H+]1CCCC1C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369466	0	53	0.0	-72.47	411.95	3.81	-68.66
C[N@H+]1CCCC1C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369466	1	53	0.0	-72.59	409.36	2.88	-69.71
CCC(C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025369569	0	55	0.0	-72.17	415.34	3.85	-68.32
CCC[N@H+](C)CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369574	0	55	0.0	-71.98	428.62	3.70	-68.28
CCC[N@@H+](C)CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369574	1	55	0.0	-76.19	425.03	4.21	-71.98
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369582	0	53	0.0	-68.95	409.26	2.86	-66.09
C[N@H+]1CCC[C@@H]1C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369582	1	53	0.0	-69.25	414.34	3.35	-65.90
CC[NH+](CC)CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369587	0	55	0.0	-70.53	425.49	3.66	-66.87
CC[N@H+](C)CCC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369645	0	55	0.0	-72.60	429.48	3.51	-69.09
CC[N@@H+](C)CCC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369645	1	55	0.0	-72.69	429.48	3.49	-69.20
CC[C@@H](C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025369648	0	55	0.0	-68.35	419.63	3.31	-65.04
C[NH+](C)CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369666	0	49	0.0	-72.36	389.39	2.29	-70.07
CC(C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025369670	1	53	0.0	-73.24	414.00	3.87	-69.37
C[N@H+](CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025369677	0	53	0.0	-73.12	415.06	4.20	-68.92
C[N@@H+](CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025369677	1	53	0.0	-69.48	418.79	3.70	-65.78
C[NH+]1CC(CC(=O)NC2CCC3CC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025369683	0	53	0.0	-71.44	420.83	3.11	-68.33
C[C@@H](C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025369690	0	52	0.0	-74.51	403.61	3.21	-71.30
[N-]=[N+]=NCC(=O)NC1CCC2CC1CN2C(=O)CSC1=NC(=O)NN1	REAL300025369693	0	43	0.0	-24.49	366.35	-2.11	-26.60
C[C@@H](C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025369712	0	52	0.0	-74.51	403.61	3.21	-71.30
C[C@H](C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025369741	0	52	0.0	-73.72	404.05	3.19	-70.53
CC1C[NH+](CC(=O)NC2CCC3CC2CN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025369748	1	53	0.0	-76.03	416.92	3.87	-72.16
C[N@H+](CCO)CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369759	1	53	0.0	-76.70	413.88	0.22	-76.48
C[N@@H+](CCO)CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369759	1	53	0.0	-72.45	417.25	-0.28	-72.73
CC[N@H+](C)CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369766	0	52	0.0	-71.60	407.12	2.96	-68.64
CC[N@@H+](C)CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369766	1	52	0.0	-75.75	403.53	3.46	-72.29
C[NH+](C)CC=CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369784	0	53	0.0	-75.59	425.31	3.51	-72.08
CC[N@@H+]1CCC1C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369790	1	53	0.0	-69.96	414.00	3.02	-66.94
CC[N@H+]1CCC1C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369790	1	53	0.0	-73.36	410.50	3.44	-69.92
C[NH+](C)C(C)(C)C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369804	0	55	0.0	-71.97	416.81	3.44	-68.53
C[NH+](C)C1(C(=O)NC2CCC3CC2CN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025369827	0	53	0.0	-75.53	417.92	3.62	-71.91
CC(C[NH+](C)C)C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369849	0	55	0.0	-71.96	427.85	3.56	-68.40
CC1CC[N@@H+]1CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369860	1	53	0.0	-73.75	411.49	3.54	-70.21
CC1CC[N@H+]1CC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025369860	1	53	0.0	-74.56	416.85	3.85	-70.71
C[N@@H+]1CCCC1C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025369975	0	53	0.0	-69.81	404.51	3.21	-66.60
C[N@H+]1CCCC1C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025369975	1	53	0.0	-69.87	407.90	2.72	-67.15
CCC(C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025370049	0	55	0.0	-68.30	416.73	3.76	-64.54
CCC[N@H+](C)CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370052	0	55	0.0	-70.33	424.78	4.16	-66.17
CCC[N@@H+](C)CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370052	1	55	0.0	-70.41	424.78	4.16	-66.25
CC[N@H+](C)CCC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370068	0	55	0.0	-72.15	425.77	3.95	-68.20
CC[N@@H+](C)CCC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370068	1	55	0.0	-72.00	425.93	3.98	-68.02
CC[C@@H](C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025370094	0	55	0.0	-69.49	415.05	3.81	-65.68
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370131	0	53	0.0	-69.98	408.24	2.69	-67.29
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370131	1	53	0.0	-69.35	411.20	3.00	-66.35
C[C@@H](C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025370176	0	52	0.0	-69.20	400.94	3.03	-66.17
C[N@H+](CCO)CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370186	1	53	0.0	-71.04	413.79	0.16	-70.88
C[N@@H+](CCO)CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370186	1	53	0.0	-70.46	413.36	0.16	-70.30
CC1C[NH+](CC(=O)N2CC3CC2CCC3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370202	1	53	0.0	-72.62	420.78	3.31	-69.31
CC[N@H+](C)CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370218	0	52	0.0	-69.99	403.28	3.42	-66.57
CC[N@@H+](C)CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370218	1	52	0.0	-70.03	403.28	3.40	-66.63
CC(C[NH+](C)C)C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370245	0	55	0.0	-68.09	425.61	3.81	-64.28
C[C@H](C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025370249	0	52	0.0	-68.63	402.90	3.05	-65.58
CC[N@@H+]1CCC1C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370252	1	53	0.0	-69.20	417.43	3.73	-65.47
CC[N@H+]1CCC1C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370252	1	53	0.0	-69.39	417.37	3.72	-65.67
[N-]=[N+]=NCC(=O)N1CC2CC1CCC2NC(=O)CSC1=NC(=O)NN1	REAL300025370302	0	43	0.0	-26.07	366.30	-2.16	-28.23
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370311	0	53	0.0	-69.99	410.76	3.06	-66.93
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370311	1	53	0.0	-69.91	404.27	3.22	-66.69
C[N@H+](CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025370341	0	53	0.0	-69.45	418.65	3.66	-65.79
C[N@@H+](CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025370341	1	53	0.0	-67.99	415.32	4.19	-63.80
C[NH+]1CC(CC(=O)N2CC3CC2CCC3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370365	0	53	0.0	-74.17	420.84	3.09	-71.08
C[NH+](C)CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370368	0	49	0.0	-72.98	389.34	2.24	-70.74
C[C@@H](C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025370371	0	52	0.0	-69.20	400.94	3.03	-66.17
CC1CC[N@@H+]1CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370378	1	53	0.0	-70.45	415.08	3.05	-67.40
CC1CC[N@H+]1CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370378	1	53	0.0	-69.08	417.08	3.81	-65.27
C[NH+](C)CC=CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370379	0	53	0.0	-77.12	424.64	3.39	-73.73
CC[NH+](CC)CC(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025370385	0	55	0.0	-70.91	420.98	3.32	-67.59
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CC1CN2C(=O)C[NH+]1CCC1	REAL300025370386	1	50	0.0	-70.62	395.82	3.21	-67.41
CC(C(=O)N1CC2CC1CCC2NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025370404	1	53	0.0	-68.92	412.55	3.57	-65.35
NC(=[NH2+])SCC(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025370435	0	47	0.0	-73.21	397.92	-0.83	-74.04
C[N@@H+]1CCC[C@H]1C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025370467	0	53	0.0	-72.57	411.50	3.79	-68.78
C[N@H+]1CCC[C@H]1C(=O)NC1CCC2CC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025370467	1	53	0.0	-75.56	405.82	3.35	-72.21
C[N@@H+]1CCCC1C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370589	0	55	0.0	-61.57	422.70	3.20	-58.37
C[N@H+]1CCCC1C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370589	1	55	0.0	-59.79	428.87	3.73	-56.06
CCC(C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025370689	0	57	0.0	-60.48	433.31	3.66	-56.82
CCC[N@H+](C)CC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370694	0	57	0.0	-62.02	441.90	4.07	-57.95
CCC[N@@H+](C)CC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370694	1	57	0.0	-62.01	441.82	4.06	-57.95
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370702	0	55	0.0	-61.52	422.77	3.22	-58.30
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370702	1	55	0.0	-59.91	428.96	3.72	-56.19
CC[NH+](CC)CC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370707	0	57	0.0	-60.38	434.19	3.74	-56.64
CC[N@H+](C)CCC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370763	0	57	0.0	-64.04	442.77	3.87	-60.17
CC[N@@H+](C)CCC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370763	1	57	0.0	-64.02	442.69	3.87	-60.15
CC[C@@H](C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025370766	0	57	0.0	-59.87	433.31	3.66	-56.21
C[NH+](C)CC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370784	0	51	0.0	-62.62	402.66	2.66	-59.96
CC(C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025370788	1	55	0.0	-60.79	432.66	3.59	-57.20
C[N@H+](CC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025370794	0	55	0.0	-59.49	431.85	4.06	-55.43
C[N@@H+](CC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025370794	1	55	0.0	-59.53	431.94	4.07	-55.46
C[NH+]1CC(CC(=O)NCC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025370800	0	55	0.0	-64.73	434.04	3.48	-61.25
C[C@@H](C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025370807	0	54	0.0	-60.57	420.77	3.05	-57.52
[N-]=[N+]=NCC(=O)NCC1CCCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025370810	0	45	0.0	-20.95	379.63	-1.73	-22.68
C[C@@H](C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025370828	0	54	0.0	-60.57	420.77	3.05	-57.52
O=C(C[NH+]1CCC1)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370846	1	52	0.0	-62.35	412.76	3.08	-59.27
C[C@H](C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025370857	0	54	0.0	-61.24	420.80	3.08	-58.16
CC1C[NH+](CC(=O)NCC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025370863	1	55	0.0	-61.93	433.93	3.75	-58.18
CC[N@H+](C)CC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370880	0	54	0.0	-61.69	420.40	3.33	-58.36
CC[N@@H+](C)CC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370880	1	54	0.0	-61.69	420.32	3.32	-58.37
C[NH+](C)CC=CC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370896	0	55	0.0	-68.00	438.63	3.86	-64.14
CC[N@@H+]1CCC1C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370902	1	55	0.0	-60.90	434.29	3.63	-57.27
CC[N@H+]1CCC1C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370902	1	55	0.0	-60.69	434.29	3.68	-57.01
C[NH+](C)C(C)(C)C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370915	0	57	0.0	-59.21	430.13	3.81	-55.40
C[NH+](C)C1(C(=O)NCC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025370937	0	55	0.0	-60.44	429.40	3.31	-57.13
CC(C[NH+](C)C)C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370959	0	57	0.0	-60.89	440.33	4.05	-56.84
CC1CC[N@@H+]1CC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370968	1	55	0.0	-60.28	428.44	3.48	-56.80
CC1CC[N@H+]1CC(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025370968	1	55	0.0	-60.67	434.02	3.74	-56.93
C[N@@H+]1CCCC1C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371077	0	55	0.0	-69.36	424.34	3.31	-66.05
C[N@H+]1CCCC1C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371077	1	55	0.0	-69.28	424.39	3.29	-65.99
CCC(C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025371148	0	57	0.0	-69.33	429.34	3.41	-65.92
CCC[N@H+](C)CC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371152	0	57	0.0	-71.66	441.83	4.00	-67.66
CCC[N@@H+](C)CC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371152	1	57	0.0	-71.60	441.96	4.00	-67.60
CC[N@H+](C)CCC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371169	0	57	0.0	-73.13	442.78	3.85	-69.28
CC[N@@H+](C)CCC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371169	1	57	0.0	-73.10	442.78	3.86	-69.24
CC[C@@H](C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025371209	0	57	0.0	-69.49	427.20	3.36	-66.13
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371255	0	55	0.0	-72.54	419.80	3.03	-69.51
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371255	1	55	0.0	-69.95	425.31	3.38	-66.57
C[C@@H](C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025371309	0	54	0.0	-71.19	417.00	2.86	-68.33
CC1C[NH+](CC(=O)N2CCCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025371333	1	55	0.0	-71.72	433.93	3.66	-68.06
CC[N@H+](C)CC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371351	0	54	0.0	-71.34	420.42	3.24	-68.10
CC[N@@H+](C)CC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371351	1	54	0.0	-71.34	420.41	3.24	-68.10
CC(C[NH+](C)C)C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371381	0	57	0.0	-75.15	435.40	3.52	-71.63
C[NH+](C)C1(C(=O)N2CCCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025371384	0	55	0.0	-75.65	421.01	2.93	-72.72
C[C@H](C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025371388	0	54	0.0	-71.33	418.27	2.86	-68.47
CC[N@@H+]1CCC1C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371391	1	55	0.0	-72.78	433.58	3.47	-69.31
CC[N@H+]1CCC1C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371391	1	55	0.0	-72.63	432.55	3.48	-69.15
C[NH+](C)C(C)(C)C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371399	0	57	0.0	-65.79	409.00	2.92	-62.87
[N-]=[N+]=NCC(=O)N1CCCCC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025371445	0	45	0.0	-22.05	379.62	-1.83	-23.88
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371458	0	55	0.0	-69.22	425.07	3.35	-65.87
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371458	1	55	0.0	-72.48	420.85	3.04	-69.44
C[N@H+](CC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025371495	0	55	0.0	-68.43	431.87	3.98	-64.45
C[N@@H+](CC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025371495	1	55	0.0	-69.03	432.06	3.99	-65.04
C[NH+]1CC(CC(=O)N2CCCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025371523	0	55	0.0	-71.72	433.90	3.45	-68.27
C[NH+](C)CC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371526	0	51	0.0	-71.76	402.61	2.58	-69.18
C[C@@H](C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025371529	0	54	0.0	-71.19	417.00	2.86	-68.33
CC1CC[N@@H+]1CC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371536	1	55	0.0	-70.46	433.81	3.65	-66.81
CC1CC[N@H+]1CC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371536	1	55	0.0	-70.50	434.01	3.65	-66.85
C[NH+](C)CC=CC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371537	0	55	0.0	-68.27	434.73	3.87	-64.40
CC[NH+](CC)CC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371543	0	57	0.0	-69.78	434.18	3.64	-66.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN(C(=O)C[NH+]2CCC2)C1	REAL300025371544	1	52	0.0	-71.66	412.95	3.05	-68.61
CC(C(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025371566	1	55	0.0	-70.64	425.88	3.32	-67.32
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371634	0	55	0.0	-59.16	428.36	3.62	-55.54
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371634	1	55	0.0	-60.30	422.68	3.20	-57.10
C[C@H](NC(=O)C1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371816	0	49	0.0	-70.38	405.65	1.87	-68.51
C[C@H](NC(=O)C1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371816	1	49	0.0	-72.05	398.64	1.18	-70.87
C[C@H](NC(=O)C1C[N@H+](C)CCO1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371840	1	50	0.0	-78.14	410.10	1.14	-77.00
C[C@H](NC(=O)C1C[N@@H+](C)CCO1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371840	1	50	0.0	-83.95	417.23	1.30	-82.65
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371984	0	55	0.0	-68.74	438.78	2.94	-65.80
CC(C)[N@H+]1CCCC1C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025371984	1	55	0.0	-71.23	427.24	2.78	-68.45
CC1=[NH+]C=CN1CC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372007	1	47	0.0	-69.78	409.47	2.36	-67.42
C[C@H](NC(=O)C1C[NH+]2CCC1CC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372027	0	53	0.0	-78.68	421.23	2.54	-76.14
C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372055	0	52	0.0	-74.56	417.55	1.92	-72.64
C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372055	1	52	0.0	-75.80	422.73	2.11	-73.69
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025372057	0	55	0.0	-74.49	436.81	2.52	-71.97
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025372057	1	55	0.0	-72.88	440.31	3.10	-69.78
CC[N@@H+]1CCOC(C(=O)N[C@@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025372062	1	53	0.0	-77.09	427.75	1.77	-75.32
CC[N@H+]1CCOC(C(=O)N[C@@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025372062	1	53	0.0	-82.20	434.87	1.93	-80.27
C[C@H](NC(=O)C[NH+]1C(C)CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372107	0	55	0.0	-70.04	437.66	2.88	-67.16
C[C@H](NC(=O)CCC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372109	0	55	0.0	-73.84	448.08	3.26	-70.58
C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372112	0	55	0.0	-74.23	443.40	3.25	-70.98
CC[N@@H+]1CCCCC1C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372115	0	55	0.0	-69.72	428.90	2.78	-66.94
CC[N@H+]1CCCCC1C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372115	1	55	0.0	-70.04	430.04	2.90	-67.14
C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372125	0	52	0.0	-75.60	412.84	1.78	-73.82
CC(C)[C@@H](C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025372131	0	54	0.0	-71.18	423.92	2.36	-68.82
C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372149	0	52	0.0	-71.66	426.13	2.72	-68.94
C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372149	1	52	0.0	-71.23	426.23	2.73	-68.50
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372203	1	51	0.0	-71.56	426.32	2.60	-68.96
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372203	1	51	0.0	-71.49	432.07	3.11	-68.38
C[C@H](NC(=O)CCC1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372208	0	55	0.0	-72.88	441.65	2.85	-70.03
C[C@H](NC(=O)CCC1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372208	1	55	0.0	-72.64	441.63	2.85	-69.79
C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372224	0	52	0.0	-76.45	424.41	2.50	-73.95
C[C@H](NC(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372251	0	52	0.0	-69.78	420.61	2.23	-67.55
C[C@H](NC(=O)C1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372251	1	52	0.0	-70.92	412.67	2.26	-68.66
C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372304	1	53	0.0	-77.61	434.97	0.84	-76.77
CC1=C[NH+]=CN1CC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372316	1	47	0.0	-73.17	408.43	3.13	-70.04
C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372332	0	53	0.0	-73.49	423.22	2.62	-70.87
C[C@H](NC(=O)CC1CC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372337	0	52	0.0	-75.25	426.04	2.43	-72.82
C[C@H](NC(=O)CC1CC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372337	1	52	0.0	-75.64	426.54	2.35	-73.29
CCC(C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025372343	0	51	0.0	-70.78	410.66	1.78	-69.00
C[C@H](NC(=O)CCCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372390	0	54	0.0	-75.63	445.08	2.95	-72.68
CC(C)C(C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025372401	0	54	0.0	-71.71	427.75	2.60	-69.11
CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372402	0	54	0.0	-75.30	440.34	2.67	-72.63
CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372402	1	54	0.0	-75.40	441.45	2.79	-72.61
CCC[N@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372405	0	51	0.0	-73.40	419.27	2.15	-71.25
CCC[N@@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372405	1	51	0.0	-73.69	418.94	2.24	-71.45
C[C@H](NC(=O)C12CC[N@H+](C1)CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372418	0	53	0.0	-73.71	421.28	2.05	-71.66
C[C@H](NC(=O)C12CC[N@@H+](C1)CCC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372418	1	53	0.0	-74.39	421.38	2.05	-72.34
C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372440	0	49	0.0	-70.29	404.94	1.91	-68.38
C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372440	1	49	0.0	-71.71	399.55	1.35	-70.36
CC[NH+](CC)CC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372467	0	51	0.0	-71.69	415.87	2.19	-69.50
C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372520	0	55	0.0	-73.95	441.71	3.22	-70.73
C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372538	0	52	0.0	-78.21	427.26	2.70	-75.51
C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372584	0	52	0.0	-76.45	424.41	2.50	-73.95
CC(C)[C@H](C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025372599	0	54	0.0	-71.06	428.10	2.83	-68.23
CCC(C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025372626	0	57	0.0	-67.45	446.10	3.15	-64.30
CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372656	0	51	0.0	-74.73	419.81	2.04	-72.69
CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372656	1	51	0.0	-74.46	418.85	1.93	-72.53
C[C@H](NC(=O)C[N@@H+]1CCCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372679	0	52	0.0	-70.97	425.22	2.64	-68.33
C[C@H](NC(=O)C[N@H+]1CCCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372679	1	52	0.0	-70.12	418.71	2.13	-67.99
C[C@H](NC(=O)C[N@@H+]1CCC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372680	0	52	0.0	-72.65	425.27	2.53	-70.12
C[C@H](NC(=O)C[N@H+]1CCC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372680	1	52	0.0	-72.42	426.25	2.40	-70.02
C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372682	0	55	0.0	-72.59	445.02	3.00	-69.59
C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372682	1	55	0.0	-73.10	445.33	3.08	-70.02
C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372683	0	57	0.0	-73.26	449.51	3.46	-69.80
C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372683	1	57	0.0	-73.45	446.47	3.04	-70.41
CC[C@@H](C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025372690	0	51	0.0	-71.13	409.05	1.63	-69.50
C[C@H](NC(=O)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372762	0	45	0.0	-73.92	379.86	0.84	-73.08
C[C@H](NC(=O)C[NH+]1CCCCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372765	0	55	0.0	-72.84	430.79	2.88	-69.96
C[C@H](NC(=O)C[N+]1=CN(C)C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372768	0	47	0.0	-70.86	411.24	4.25	-66.61
C[C@H](NC(=O)C1CCC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372772	0	52	0.0	-73.53	424.61	2.37	-71.16
C[C@H](NC(=O)C1CCC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372772	1	52	0.0	-73.64	424.42	2.46	-71.18
C[C@H](NC(=O)C1CCC[N@@H+]1C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372777	0	53	0.0	-72.14	432.17	2.84	-69.30
C[C@H](NC(=O)C1CCC[N@H+]1C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372777	1	53	0.0	-67.82	432.50	3.15	-64.67
CC(C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025372789	1	49	0.0	-70.94	407.98	1.95	-68.99
CCC(CC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025372793	0	57	0.0	-75.31	450.98	3.32	-71.99
C[C@H](NC(=O)C(C)(C)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372798	0	54	0.0	-72.82	428.58	2.45	-70.37
C[C@H](NC(=O)C[NH+]1CCC(O)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372809	1	53	0.0	-77.98	432.54	-0.65	-78.63
C[C@H](NC(=O)C[N@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372810	0	49	0.0	-70.81	409.14	2.25	-68.56
C[C@H](NC(=O)C[N@@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372810	1	49	0.0	-70.75	408.02	2.13	-68.62
C[C@H](NC(=O)CC1C[NH+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372824	0	49	0.0	-74.36	411.29	1.66	-72.70
C[C@H](NC(=O)C1CC[N@@H+]1C(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372834	0	55	0.0	-70.47	422.89	2.35	-68.12
C[C@H](NC(=O)C1CC[N@H+]1C(C)(C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372834	1	55	0.0	-70.38	425.08	1.84	-68.54
C[C@H](NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372844	0	48	0.0	-72.03	396.75	1.03	-71.00
C[C@H](NC(=O)CN=[N+]=[N-])C1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025372851	0	39	0.0	-25.18	355.72	-3.68	-28.86
C[C@H](NC(=O)CN1C=CSC1=[NH2+])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372893	0	45	0.0	-69.60	406.78	1.01	-68.59
C[C@H](NC(=O)CC[N@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372898	0	52	0.0	-74.40	430.31	-1.17	-75.57
C[C@H](NC(=O)CC[N@@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372898	1	52	0.0	-74.29	430.11	-1.18	-75.47
C[C@H](NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372899	0	48	0.0	-72.03	396.75	1.03	-71.00
C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372902	0	52	0.0	-69.88	421.71	2.43	-67.45
C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372902	1	52	0.0	-70.90	412.65	2.27	-68.63
C[C@H](NC(=O)C[NH+]1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372947	1	46	0.0	-73.40	388.74	1.04	-72.36
C[C@H](NC(=O)C=C1CC[N@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372961	0	50	0.0	-75.55	417.49	2.17	-73.38
C[C@H](NC(=O)C=C1CC[N@@H+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372961	1	50	0.0	-76.47	418.56	2.36	-74.11
C[C@H](NC(=O)COCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372981	0	52	0.0	-73.17	435.59	1.88	-71.29
C=CCC(C)(C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025372992	0	55	0.0	-76.98	434.68	3.09	-73.89
C[C@H](NC(=O)C1(C)CC(O)C[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373009	0	53	0.0	-77.26	424.34	-1.19	-78.45
C[C@H](NC(=O)CN1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373026	0	49	0.0	-73.92	408.72	1.79	-72.13
C[C@H](NC(=O)C[NH+]1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373026	1	49	0.0	-73.92	408.72	1.79	-72.13
C[C@H](NC(=O)CN(C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373043	0	49	0.0	-74.00	408.12	-1.82	-75.82
C[C@H](NC(=O)C[N@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373043	1	49	0.0	-73.69	407.61	-1.74	-75.43
C[C@H](NC(=O)C[N@@H+](C)CCO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373043	1	49	0.0	-73.69	407.61	-1.74	-75.43
CC[N@@H+]1CCCC(C(=O)N[C@@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025373062	0	55	0.0	-67.53	435.69	3.32	-64.21
CC[N@H+]1CCCC(C(=O)N[C@@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025373062	1	55	0.0	-67.53	435.69	3.32	-64.21
CC(CC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025373064	0	54	0.0	-77.84	436.89	2.83	-75.01
CC[N@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373067	0	48	0.0	-73.18	397.44	1.49	-71.69
CC[N@H+](CC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025373091	0	52	0.0	-70.78	425.11	2.70	-68.08
CC[NH+](CC)CCC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373099	0	54	0.0	-74.07	433.57	2.48	-71.59
C[C@H](NC(=O)CN1CC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373113	0	52	0.0	-73.65	430.11	2.40	-71.25
C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373113	1	52	0.0	-73.65	430.11	2.40	-71.25
C[C@H](NC(=O)C[N@@H+]1CCC(C)(O)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373129	0	53	0.0	-72.91	435.88	-0.74	-73.65
C[C@H](NC(=O)C=CC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373132	0	49	0.0	-77.48	417.08	2.11	-75.37
COCCN(C)CC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373145	0	52	0.0	-73.15	430.41	0.59	-72.56
COCC[N@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373145	1	52	0.0	-74.52	430.05	0.66	-73.86
COCC[N@@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373145	1	52	0.0	-74.52	430.05	0.66	-73.86
C[C@H](NC(=O)C1([NH+](C)C)CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373162	0	55	0.0	-76.00	430.96	3.09	-72.91
CC(CCC(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025373164	0	54	0.0	-73.30	437.24	2.56	-70.74
CC[N@@H+]1CCC1C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373170	1	49	0.0	-72.30	411.53	1.86	-70.44
CC[N@H+]1CCC1C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373170	1	49	0.0	-71.32	403.21	1.27	-70.05
C[C@H](NC(=O)C[N@@H+]1CCCC1CO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373180	0	53	0.0	-72.72	429.59	-1.20	-73.92
C[C@H](NC(=O)C[N@H+]1CCCC1CO)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373180	1	53	0.0	-72.37	434.49	-0.63	-73.00
C[C@H](NC(=O)C1(C)CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373196	0	55	0.0	-70.86	435.80	2.77	-68.09
C=CCC(C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025373212	0	52	0.0	-71.77	426.58	2.52	-69.25
C[C@H](NC(=O)C1CC(C)(C)C[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373219	0	55	0.0	-72.84	440.15	2.42	-70.42
C[C@H](NC(=O)C1CC(C)(C)C[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373219	1	55	0.0	-70.19	444.61	2.76	-67.43
C[C@H](NC(=O)CCCCC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373221	0	57	0.0	-75.07	466.58	3.74	-71.33
C[C@H](NC(=O)C[NH+]1CC2CC2C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373226	0	50	0.0	-73.39	415.34	2.62	-70.77
CCCC(C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025373238	0	54	0.0	-72.16	434.05	2.76	-69.40
C[C@H](NC(=O)C(C)(C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373241	0	51	0.0	-75.92	406.21	1.89	-74.03
C[C@H](NC(=O)C1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373264	0	52	0.0	-69.78	420.61	2.23	-67.55
C[C@H](NC(=O)C1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373264	1	52	0.0	-70.92	412.67	2.26	-68.66
C[C@H](NC(=O)CC1=CC[N@H+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373283	0	53	0.0	-72.56	438.83	3.15	-69.41
C[C@H](NC(=O)CC1=CC[N@@H+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373283	1	53	0.0	-71.10	438.85	3.14	-67.96
C[C@H](NC(=O)C=CC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373313	0	53	0.0	-76.28	440.26	3.11	-73.17
C[C@H](NC(=O)C1([NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373339	0	49	0.0	-75.68	402.48	1.63	-74.05
C[C@H](NC(=O)CC[NH+]1CCCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373340	0	52	0.0	-74.07	427.08	2.44	-71.63
C[C@H](NC(=O)C1C[NH+]2CCN1CC2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373361	0	52	0.0	-77.97	414.97	-0.89	-78.86
C[C@H](NC(=O)C12CC(C1)C[N@@H+]2C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373365	0	50	0.0	-75.66	411.73	2.12	-73.54
C[C@H](NC(=O)C12CC(C1)C[N@H+]2C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373365	1	50	0.0	-74.90	411.89	2.05	-72.85
C[C@H](NC(=O)C[N@@H+]1CC2CCC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373370	0	53	0.0	-70.68	422.50	2.53	-68.15
C[C@H](NC(=O)C[N@H+]1CC2CCC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373370	1	53	0.0	-71.62	426.55	2.94	-68.68
C[C@H](NC(=O)C[N@@H+]1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373405	1	51	0.0	-69.83	417.60	2.50	-67.33
C[C@H](NC(=O)C[N@H+]1CC2C=CC1C2)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373405	1	51	0.0	-71.60	419.41	2.72	-68.88
CC(C[NH+](C)C)C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373435	0	51	0.0	-69.47	417.63	2.23	-67.24
C[C@H](NC(=O)CC1CCCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373474	0	55	0.0	-66.98	431.61	2.90	-64.08
C[C@H](NC(=O)CC1CCCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373474	1	55	0.0	-74.90	439.29	2.92	-71.98
CC(C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025373483	1	52	0.0	-70.70	428.61	2.52	-68.18
C[C@H](NC(=O)C[N@@H+]1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373485	1	49	0.0	-72.43	411.18	1.92	-70.51
C[C@H](NC(=O)C[N@H+]1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373485	1	49	0.0	-71.16	405.78	1.55	-69.61
C[C@H](NC(=O)CC(O)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373487	0	52	0.0	-77.69	432.45	-0.12	-77.81
C[C@H](NC(=O)C1C[N@H+](C)CC(C)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373504	1	53	0.0	-81.86	431.74	2.01	-79.85
C[C@H](NC(=O)C1C[N@@H+](C)CC(C)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373504	1	53	0.0	-83.81	431.02	1.59	-82.22
C[C@H](NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373542	0	52	0.0	-74.20	429.56	2.46	-71.74
CC(CC[NH+](C)C)C(=O)N[C@@H](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373546	0	54	0.0	-74.32	439.89	2.74	-71.58
C[C@H](NC(=O)CN1CC[NH+](C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373561	1	54	0.0	-73.73	438.71	0.33	-73.40
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300025373731	0	49	0.0	-70.79	403.40	1.76	-69.03
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+]2C)C1	REAL300025373731	1	49	0.0	-70.07	397.46	1.16	-68.91
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300025373757	1	50	0.0	-72.01	406.56	0.85	-71.16
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300025373757	1	50	0.0	-87.75	412.97	1.06	-86.69
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCOCC2)C1	REAL300025373905	1	53	0.0	-78.89	435.12	0.84	-78.05
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300025373913	0	53	0.0	-65.88	420.32	2.11	-63.77
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300025373936	0	52	0.0	-77.50	426.18	2.42	-75.08
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300025373936	1	52	0.0	-78.40	426.25	2.40	-76.00
CCC(C(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025373942	0	51	0.0	-72.97	412.65	1.88	-71.09
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCCC[NH+](C)C)C1	REAL300025373974	0	54	0.0	-77.87	445.21	2.96	-74.91
CC(C)C(C(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025373987	0	54	0.0	-71.78	420.81	2.45	-69.33
CCC[N@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373988	0	54	0.0	-76.89	441.61	2.70	-74.19
CCC[N@@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373988	1	54	0.0	-72.93	440.20	2.58	-70.35
CCC[N@H+](C)CC(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373991	0	51	0.0	-73.76	418.93	2.21	-71.55
CCC[N@@H+](C)CC(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373991	1	51	0.0	-70.22	417.84	2.03	-68.19
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025374004	0	53	0.0	-83.67	413.83	1.71	-81.96
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025374004	1	53	0.0	-76.69	413.13	1.60	-75.09
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300025374029	0	55	0.0	-74.09	442.29	3.28	-70.81
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300025374066	0	52	0.0	-74.39	429.30	2.42	-71.97
CC[N@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025374083	0	51	0.0	-76.10	420.10	1.96	-74.14
CC[N@@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025374083	1	51	0.0	-76.02	420.11	1.95	-74.07
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300025374095	0	53	0.0	-79.71	419.69	2.50	-77.21
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025374133	0	52	0.0	-74.56	420.91	2.06	-72.50
CC(C)[C@H](C(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025374148	0	54	0.0	-71.90	424.16	2.67	-69.23
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300025374211	0	52	0.0	-71.72	410.63	1.73	-69.99
CCC(C(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025374238	0	57	0.0	-67.19	441.64	2.98	-64.21
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300025374247	0	52	0.0	-70.88	424.78	2.49	-68.39
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300025374247	1	52	0.0	-70.30	418.51	2.17	-68.13
CC(C)[N@@H+]1CCCC1C(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025374274	0	55	0.0	-70.24	430.76	3.13	-67.11
CC(C)[N@H+]1CCCC1C(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025374274	1	55	0.0	-72.24	431.02	3.34	-68.90
CC(C)[C@@H](C(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025374281	0	54	0.0	-73.25	422.63	2.18	-71.07
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300025374291	0	52	0.0	-69.11	423.94	2.27	-66.84
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300025374291	1	52	0.0	-68.97	424.79	2.25	-66.72
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1	REAL300025374293	0	55	0.0	-73.02	445.29	2.95	-70.07
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1	REAL300025374293	1	55	0.0	-69.38	443.84	2.82	-66.56
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300025374294	0	57	0.0	-69.72	448.39	3.16	-66.56
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300025374294	1	57	0.0	-69.97	446.44	3.01	-66.96
CC[C@@H](C(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025374301	0	51	0.0	-71.43	409.90	1.75	-69.68
CC1=[NH+]C=CN1CC(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025374381	1	47	0.0	-68.08	408.00	2.21	-65.87
CC[N@@H+]1CCOC(C(=O)N2CC([C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025374424	1	53	0.0	-79.15	423.79	1.54	-77.61
CC[N@H+]1CCOC(C(=O)N2CC([C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025374424	1	53	0.0	-74.90	426.00	1.54	-73.36
CC1=C[NH+]=CN1CC(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025374444	1	47	0.0	-73.97	409.46	3.14	-70.83
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300025374449	0	52	0.0	-79.68	416.15	1.78	-77.90
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300025374449	1	52	0.0	-76.58	421.62	2.41	-74.17
CC[C@@H]1[C@@H](C(=O)N2CC([C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025374451	0	55	0.0	-76.97	433.14	2.27	-74.70
CC[C@@H]1[C@@H](C(=O)N2CC([C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025374451	1	55	0.0	-71.22	439.50	2.67	-68.55
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300025374456	0	55	0.0	-66.11	435.65	2.49	-63.62
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300025374458	0	55	0.0	-71.95	446.84	3.04	-68.91
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300025374462	0	55	0.0	-75.46	443.72	3.24	-72.22
CC[N@@H+]1CCCCC1C(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025374465	0	55	0.0	-65.43	438.21	2.83	-62.60
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C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2CCCC[N@H+]2C)C1	REAL300025375873	1	55	0.0	-64.11	430.36	2.64	-61.47
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300025375885	0	49	0.0	-68.31	404.48	1.49	-66.82
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=CC[NH+](C)C)C1	REAL300025375891	0	49	0.0	-79.96	415.43	1.99	-77.97
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CC(C)(C)C2)C1	REAL300025375896	0	52	0.0	-73.96	430.08	2.38	-71.58
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300025375896	1	52	0.0	-73.96	430.08	2.38	-71.58
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCCC2CO)C1	REAL300025375930	0	53	0.0	-72.65	433.15	-0.67	-73.32
CC[NH+](CC)CC(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025375932	0	51	0.0	-68.62	414.71	1.94	-66.68
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2CCC2)C1	REAL300025375941	0	46	0.0	-73.94	390.31	1.19	-72.75
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC2)C1	REAL300025375941	1	46	0.0	-73.94	390.31	1.19	-72.75
CC[NH+](CC)CCC(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025375969	0	54	0.0	-75.29	433.36	2.52	-72.77
CCC(CC(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025376024	0	57	0.0	-68.78	454.64	3.50	-65.28
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300025376029	0	54	0.0	-75.31	424.00	2.07	-73.24
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300025376058	0	52	0.0	-68.60	408.85	1.86	-66.74
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300025376077	0	52	0.0	-80.30	432.46	-0.13	-80.43
C=CCC(C(=O)N1CC([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025376097	0	52	0.0	-72.45	425.20	2.38	-70.07
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2(C)CC[NH+](C)CC2)C1	REAL300025376108	0	55	0.0	-73.19	430.36	2.40	-70.79
C[C@H](NC(=O)CSC(N)=[NH2+])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376129	0	43	0.0	-75.15	387.78	-2.22	-77.37
C[C@H](NC(=O)C1(CC[NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376152	0	55	0.0	-74.29	454.16	3.16	-71.13
C[C@H](NC(=O)CC1CC=CC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376153	0	53	0.0	-67.51	426.02	2.83	-64.68
C[C@H](NC(=O)CC1CC=CC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376153	1	53	0.0	-75.98	430.99	2.89	-73.09
CCC1CN(CC(=O)N[C@@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025376234	0	52	0.0	-74.55	432.35	2.69	-71.86
CCC1C[NH+](CC(=O)N[C@@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025376234	1	52	0.0	-74.55	432.35	2.69	-71.86
C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376239	0	49	0.0	-70.00	406.36	1.84	-68.16
C[C@H](NC(=O)C1CC[N@H+](C)C1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376261	0	52	0.0	-74.09	421.77	2.33	-71.76
C[C@H](NC(=O)C1CC[N@@H+](C)C1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376261	1	52	0.0	-74.09	421.77	2.33	-71.76
C[C@H](NC(=O)CC1COCCN1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376289	0	53	0.0	-78.97	430.14	0.74	-78.23
C[C@H](NC(=O)CC1COCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376289	1	53	0.0	-78.66	430.15	0.74	-77.92
C[C@H](NC(=O)CC1COCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376289	1	53	0.0	-78.66	430.15	0.74	-77.92
CC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)CN1CCC1	REAL300025376472	0	55	0.0	-65.38	424.61	2.61	-62.77
CC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[NH+]1CCC1	REAL300025376472	1	55	0.0	-65.38	424.61	2.61	-62.77
CC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300025376489	0	57	0.0	-64.98	432.24	2.86	-62.12
CC[N@H+](C)CC(=O)N1CCC(C)(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376645	0	57	0.0	-73.28	432.22	2.73	-70.55
CC1(C)CCN(C(=O)CN2CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025376719	0	55	0.0	-73.88	424.81	2.55	-71.33
CC1(C)CCN(C(=O)C[NH+]2CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025376719	1	55	0.0	-73.88	424.81	2.55	-71.33
C[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025376914	0	46	0.0	-73.19	378.95	0.84	-72.35
CN1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025376938	0	47	0.0	-79.04	389.27	0.59	-78.45
C[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025376938	1	47	0.0	-72.52	389.26	0.58	-71.94
C[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025376938	1	47	0.0	-72.52	389.26	0.58	-71.94
CC1=NC=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377095	0	44	0.0	-68.88	387.62	1.91	-66.97
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377095	1	44	0.0	-68.88	387.62	1.91	-66.97
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2C[NH+]3CCC2CC3)[C@@H](F)C1	REAL300025377111	0	50	0.0	-74.20	399.49	2.10	-72.10
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)CC[N@@H+]1C	REAL300025377134	0	49	0.0	-75.92	401.24	1.59	-74.33
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)CC[N@H+]1C	REAL300025377134	1	49	0.0	-75.92	401.24	1.59	-74.33
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)CCC1	REAL300025377183	0	49	0.0	-63.23	393.20	2.01	-61.22
CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)[NH+](C)C	REAL300025377186	0	51	0.0	-71.60	402.37	1.85	-69.75
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)C1CCC1	REAL300025377201	0	49	0.0	-67.20	405.07	2.34	-64.86
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)C1CCC1	REAL300025377201	1	49	0.0	-67.92	404.97	2.33	-65.59
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)CC1	REAL300025377259	0	49	0.0	-76.07	403.55	1.97	-74.10
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377278	1	49	0.0	-69.98	391.76	1.71	-68.27
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377278	1	49	0.0	-68.17	400.15	1.90	-66.27
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377325	1	44	0.0	-69.46	388.61	2.70	-66.76
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](F)C1	REAL300025377339	0	50	0.0	-67.43	402.34	2.15	-65.28
C[N@@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025377342	0	49	0.0	-68.89	406.62	1.96	-66.93
C[N@H+]1CCC(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025377342	1	49	0.0	-74.72	404.75	1.88	-72.84
CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)[NH+](C)C	REAL300025377347	0	48	0.0	-69.25	389.43	1.28	-67.97
C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377383	0	51	0.0	-70.42	425.16	2.53	-67.89
CC(C)C(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)[NH+](C)C	REAL300025377390	0	51	0.0	-63.84	409.37	2.45	-61.39
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377391	0	51	0.0	-75.16	420.54	2.25	-72.91
CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377391	1	51	0.0	-75.08	420.54	2.25	-72.83
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377392	0	48	0.0	-72.99	397.43	1.69	-71.30
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377392	1	48	0.0	-69.55	398.08	1.77	-67.78
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C23CC[N@H+](C2)CCC3)[C@@H](F)C1	REAL300025377399	0	50	0.0	-73.31	399.75	1.51	-71.80
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C23CC[N@@H+](C2)CCC3)[C@@H](F)C1	REAL300025377399	1	50	0.0	-75.21	400.12	1.53	-73.68
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377417	0	46	0.0	-63.86	379.77	0.95	-62.91
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377417	1	46	0.0	-63.99	386.14	1.45	-62.54
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377441	0	48	0.0	-71.51	390.72	1.37	-70.14
C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)CC1	REAL300025377506	0	49	0.0	-76.03	410.52	2.12	-73.91
C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)CC1	REAL300025377547	0	49	0.0	-76.07	403.55	1.97	-74.10
CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)[NH+](C)C	REAL300025377562	0	51	0.0	-63.16	406.55	2.25	-60.91
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377615	0	48	0.0	-68.45	399.90	1.60	-66.85
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377615	1	48	0.0	-68.30	399.92	1.60	-66.70
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377635	0	49	0.0	-69.63	396.85	1.69	-67.94
CC1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377635	1	49	0.0	-66.09	397.57	1.75	-64.34
CC1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025377636	0	49	0.0	-72.14	404.31	1.97	-70.17
CC1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025377636	1	49	0.0	-71.42	402.68	2.10	-69.32
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)[NH+](C)C	REAL300025377641	0	48	0.0	-70.80	388.38	1.32	-69.48
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377701	0	42	0.0	-69.96	358.86	0.36	-69.60
CN1C=C[N+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)=C1	REAL300025377704	0	44	0.0	-66.75	390.11	3.86	-62.89
C[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025377707	0	49	0.0	-66.12	397.35	2.11	-64.01
C[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025377707	1	49	0.0	-68.60	396.55	2.13	-66.47
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2CCC[N@@H+]2C2CC2)[C@@H](F)C1	REAL300025377712	0	50	0.0	-73.85	411.89	2.39	-71.46
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2CCC[N@H+]2C2CC2)[C@@H](F)C1	REAL300025377712	1	50	0.0	-66.32	405.53	3.02	-63.30
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377730	0	51	0.0	-67.65	403.08	2.13	-65.52
C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)C1CC1	REAL300025377738	0	46	0.0	-66.59	388.16	1.76	-64.83
C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)C1CC1	REAL300025377738	1	46	0.0	-70.89	387.64	1.70	-69.19
C[NH+]1CC(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025377751	0	46	0.0	-74.73	389.25	1.04	-73.69
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)[NH+](C)C	REAL300025377768	0	45	0.0	-72.26	376.27	0.68	-71.58
[N-]=[N+]=NCC(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@@H]1F	REAL300025377775	0	36	0.0	-24.14	334.42	-4.01	-28.15
C[N@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377815	0	49	0.0	-67.97	410.25	-1.61	-69.58
C[N@@H+](CCO)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377815	1	49	0.0	-68.49	410.20	-1.61	-70.10
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)[NH+](C)C	REAL300025377816	0	45	0.0	-72.26	376.27	0.68	-71.58
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377819	1	49	0.0	-64.47	392.45	1.81	-62.66
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377819	1	49	0.0	-67.65	399.42	1.95	-65.70
C[N@@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025377867	0	47	0.0	-76.24	396.84	1.86	-74.38
C[N@H+]1CCC(=CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025377867	1	47	0.0	-76.02	397.06	1.84	-74.18
C[NH+](C)CCOCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377882	0	49	0.0	-72.24	414.07	1.33	-70.91
CN(CCO)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377932	0	46	0.0	-70.43	386.93	-2.21	-72.64
C[N@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377932	1	46	0.0	-72.81	386.06	-2.29	-75.10
C[N@@H+](CCO)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377932	1	46	0.0	-72.81	386.06	-2.29	-75.10
CC(CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)C[NH+](C)C	REAL300025377947	0	51	0.0	-71.09	416.06	2.36	-68.73
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377950	0	45	0.0	-69.25	376.58	1.02	-68.23
CC[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)C1CC1	REAL300025377970	0	49	0.0	-66.65	404.93	2.38	-64.27
CC[NH+](CC)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025377977	0	51	0.0	-73.61	412.55	1.93	-71.68
C[NH+](C)CC=CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378001	0	46	0.0	-72.47	397.02	1.66	-70.81
COCCN(C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378014	0	49	0.0	-72.50	408.32	0.12	-72.38
COCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378014	1	49	0.0	-70.63	409.18	0.19	-70.44
COCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378014	1	49	0.0	-70.63	409.18	0.19	-70.44
CC(CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)[NH+](C)C	REAL300025378031	0	51	0.0	-70.87	413.46	2.11	-68.76
C=CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)[NH+](C)C	REAL300025378070	0	49	0.0	-70.24	406.20	1.96	-68.28
O=C(CN1CC2CC2C1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378081	0	47	0.0	-73.17	394.70	2.16	-71.01
O=C(C[NH+]1CC2CC2C1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378081	1	47	0.0	-73.17	394.70	2.16	-71.01
CCCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)[NH+](C)C	REAL300025378091	0	51	0.0	-70.60	409.38	2.17	-68.43
C[NH+](C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378094	0	48	0.0	-71.04	386.05	1.53	-69.51
CN1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378110	0	49	0.0	-69.98	391.76	1.71	-68.27
C[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378110	1	49	0.0	-68.17	400.15	1.90	-66.27
C[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378110	1	49	0.0	-68.17	400.15	1.90	-66.27
C[N@H+]1CC=C(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)CC1	REAL300025378127	0	50	0.0	-67.53	418.96	2.71	-64.82
C[N@@H+]1CC=C(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)CC1	REAL300025378127	1	50	0.0	-67.53	418.96	2.71	-64.82
O=C(C=CC[NH+]1CCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378154	0	50	0.0	-76.19	420.59	2.68	-73.51
C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)CC1	REAL300025378175	0	46	0.0	-73.83	383.23	1.25	-72.58
O=C(CC[NH+]1CCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378176	0	49	0.0	-67.89	408.12	2.13	-65.76
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2C[NH+]3CCN2CC3)[C@@H](F)C1	REAL300025378193	0	49	0.0	-67.70	396.14	-1.13	-68.83
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]1F)C2	REAL300025378197	1	47	0.0	-73.60	390.99	1.50	-72.10
C[N@H+]1CC2CC1(C(=O)N[C@@H]1CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]1F)C2	REAL300025378197	1	47	0.0	-75.93	389.19	1.61	-74.32
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378202	0	50	0.0	-69.97	403.38	2.20	-67.77
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378202	1	50	0.0	-70.66	402.34	2.19	-68.47
CC(C[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378254	0	48	0.0	-62.28	397.99	1.76	-60.52
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F)[NH+]1CC(C)C1	REAL300025378293	1	49	0.0	-71.16	407.04	2.03	-69.13
C[NH+](C)CC(O)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378296	0	49	0.0	-74.10	411.48	-0.61	-74.71
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025378346	0	49	0.0	-72.17	408.48	2.02	-70.15
CC(CC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025378349	0	51	0.0	-69.12	419.84	2.28	-66.84
C[N@@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025378531	0	46	0.0	-68.85	382.20	1.10	-67.75
C[N@H+]1CCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025378531	1	46	0.0	-71.35	381.95	1.13	-70.22
C[N@@H+]1CCOC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025378557	1	47	0.0	-83.20	383.20	0.22	-82.98
C[N@H+]1CCOC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025378557	1	47	0.0	-78.53	383.80	0.29	-78.24
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1F	REAL300025378709	0	50	0.0	-67.13	394.63	1.56	-65.57
C[N@@H+]1CCC(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025378724	0	49	0.0	-75.70	405.12	1.84	-73.86
C[N@H+]1CCC(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025378724	1	49	0.0	-75.16	404.48	1.88	-73.28
CCC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)[NH+](C)C	REAL300025378729	0	48	0.0	-71.04	387.97	1.35	-69.69
C[NH+](C)CCCCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025378757	0	51	0.0	-75.55	423.69	2.41	-73.14
CC(C)C(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)[NH+](C)C	REAL300025378766	0	51	0.0	-68.93	398.85	1.55	-67.38
CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025378767	0	51	0.0	-75.29	420.32	2.33	-72.96
CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025378767	1	51	0.0	-76.40	419.91	2.25	-74.15
CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025378768	0	48	0.0	-73.20	397.73	1.60	-71.60
CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025378768	1	48	0.0	-73.05	397.73	1.60	-71.45
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@@H]1F	REAL300025378775	0	50	0.0	-78.21	391.66	1.17	-77.04
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@@H]1F	REAL300025378775	1	50	0.0	-73.76	392.00	1.19	-72.57
C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)CC1	REAL300025378828	0	49	0.0	-75.54	402.49	1.60	-73.94
CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025378844	0	48	0.0	-74.50	398.83	1.56	-72.94
CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025378844	1	48	0.0	-74.54	398.83	1.56	-72.98
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@@H]1F	REAL300025378854	0	50	0.0	-79.31	395.88	1.69	-77.62
C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)CC1	REAL300025378886	0	49	0.0	-75.52	402.78	1.70	-73.82
CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)[NH+](C)C	REAL300025378901	0	51	0.0	-73.20	402.07	1.82	-71.38
C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)CCC1	REAL300025378952	0	49	0.0	-72.65	386.87	1.27	-71.38
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025378986	0	49	0.0	-69.49	404.83	1.99	-67.50
CC1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025378986	1	49	0.0	-69.99	405.14	2.12	-67.87
CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)[NH+](C)C	REAL300025379011	0	51	0.0	-70.31	401.19	2.05	-68.26
CC1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025379020	0	49	0.0	-72.25	405.32	2.10	-70.15
CC1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025379020	1	49	0.0	-72.07	404.82	2.04	-70.03
CC[C@@H](C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)[NH+](C)C	REAL300025379025	0	48	0.0	-71.93	387.46	1.27	-70.66
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379093	1	44	0.0	-69.45	388.19	1.92	-67.53
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379141	1	44	0.0	-71.54	388.55	2.66	-68.88
C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)CC[N@@H+]1C	REAL300025379145	0	49	0.0	-74.26	396.12	1.61	-72.65
C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)CC[N@H+]1C	REAL300025379145	1	49	0.0	-75.40	400.32	1.52	-73.88
C[N@H+](CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)C1CCC1	REAL300025379218	0	49	0.0	-70.68	406.21	2.34	-68.34
C[N@@H+](CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)C1CCC1	REAL300025379218	1	49	0.0	-70.76	404.94	2.30	-68.46
C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)CC1	REAL300025379235	0	49	0.0	-75.52	402.78	1.70	-73.82
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379253	0	46	0.0	-71.39	378.62	0.82	-70.57
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379253	1	46	0.0	-69.82	382.02	1.20	-68.62
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379268	1	48	0.0	-69.47	405.26	2.05	-67.42
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379268	1	48	0.0	-74.89	410.57	2.38	-72.51
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379323	0	49	0.0	-73.03	391.46	1.58	-71.45
C[N@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379323	1	49	0.0	-72.28	392.47	1.59	-70.69
CC1C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)CC[N@@H+]1C	REAL300025379365	0	49	0.0	-76.22	393.62	1.21	-75.01
CC1C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)CC[N@H+]1C	REAL300025379365	1	49	0.0	-72.37	397.90	1.41	-70.96
C[C@@H](C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)[NH+](C)C	REAL300025379418	0	45	0.0	-70.64	375.39	0.68	-69.96
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@@H]1F	REAL300025379438	0	49	0.0	-73.98	407.06	2.08	-71.90
C[N@H+](CCO)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379443	1	46	0.0	-73.08	386.58	-2.38	-75.46
C[N@@H+](CCO)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379443	1	46	0.0	-73.40	386.34	-2.37	-75.77
C[N@H+]1CC=C(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)CC1	REAL300025379484	0	50	0.0	-71.91	419.07	2.70	-69.21
C[N@@H+]1CC=C(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)CC1	REAL300025379484	1	50	0.0	-71.60	417.47	2.59	-69.01
CC1C[NH+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025379520	1	46	0.0	-73.49	390.03	1.51	-71.98
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@@H]1F	REAL300025379535	0	50	0.0	-69.48	410.04	2.27	-67.21
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@@H]1F	REAL300025379535	1	50	0.0	-69.72	408.99	2.13	-67.59
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@@H]1F	REAL300025379553	0	50	0.0	-79.33	420.51	2.62	-76.71
CC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379585	0	45	0.0	-72.67	376.23	0.86	-71.81
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CN2CC3C=CC2C3)C[C@@H]1F	REAL300025379611	0	48	0.0	-69.85	397.82	2.06	-67.79
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@@H]1F	REAL300025379611	1	48	0.0	-69.00	397.41	2.04	-66.96
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@@H]1F	REAL300025379611	1	48	0.0	-69.00	397.41	2.04	-66.96
COCCN(C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379676	0	49	0.0	-73.41	408.59	0.03	-73.38
COCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379676	1	49	0.0	-73.23	408.83	0.02	-73.21
COCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379676	1	49	0.0	-73.23	408.83	0.02	-73.21
CC(CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)[NH+](C)C	REAL300025379679	0	51	0.0	-72.78	416.02	2.08	-70.70
CC[N@H+](CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)C1CC1	REAL300025379689	0	49	0.0	-71.04	400.08	2.22	-68.82
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C1)C2	REAL300025379709	0	47	0.0	-73.13	386.26	1.54	-71.59
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@@H]1F	REAL300025379716	0	50	0.0	-70.40	405.43	2.42	-67.98
CC(C[NH+](C)C)C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379728	0	48	0.0	-75.46	398.09	1.45	-74.01
CCN1CCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379752	0	46	0.0	-70.59	377.40	0.73	-69.86
CC[N@@H+]1CCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379752	1	46	0.0	-71.99	390.12	1.11	-70.88
CC[N@H+]1CCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379752	1	46	0.0	-71.99	390.12	1.11	-70.88
CCCC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)[NH+](C)C	REAL300025379783	0	51	0.0	-71.09	409.22	2.18	-68.91
C[NH+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379787	0	48	0.0	-72.58	379.22	0.87	-71.71
CC(CC[NH+](C)C)C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379800	0	51	0.0	-74.97	414.01	1.85	-73.12
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025379922	0	49	0.0	-72.28	392.47	1.59	-70.69
C[N@@H+]1CCC(=CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025379972	0	47	0.0	-79.14	397.06	1.76	-77.38
C[N@H+]1CCC(=CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025379972	1	47	0.0	-79.14	397.06	1.76	-77.38
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CNC2=CC=[NH+]C=C2)C[C@@H]1F	REAL300025379974	0	45	0.0	-71.74	394.22	-0.55	-72.29
CCC1CN(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025380020	0	49	0.0	-73.96	412.58	2.21	-71.75
CCC1C[NH+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025380020	1	49	0.0	-73.96	412.58	2.21	-71.75
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380027	0	46	0.0	-70.20	377.14	0.66	-69.54
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025380092	0	49	0.0	-74.25	407.88	2.05	-72.20
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380098	0	50	0.0	-69.27	404.63	2.28	-66.99
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380098	1	50	0.0	-69.27	404.63	2.28	-66.99
C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380120	0	49	0.0	-74.39	415.61	1.47	-72.92
C[N@@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025380181	0	49	0.0	-66.67	393.59	1.97	-64.70
C[N@H+]1CCCC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025380181	1	49	0.0	-66.67	393.59	1.97	-64.70
CN1C=C[N+](CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)=C1	REAL300025380183	0	44	0.0	-70.49	391.15	3.87	-66.62
C[N@H+](CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)C1CC1	REAL300025380199	0	46	0.0	-70.32	388.16	1.74	-68.58
CC(CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)C[NH+](C)C	REAL300025380212	0	51	0.0	-73.67	415.79	2.22	-71.45
C[NH+]1CC(CC(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C1	REAL300025380298	0	46	0.0	-73.76	390.02	1.18	-72.58
C[N@H+](CCO)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380318	0	49	0.0	-74.88	408.75	-1.74	-76.62
C[N@@H+](CCO)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380318	1	49	0.0	-74.88	408.75	-1.74	-76.62
CC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)N1CC(C)C1	REAL300025380341	0	49	0.0	-69.74	407.35	1.68	-68.06
CC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)[NH+]1CC(C)C1	REAL300025380341	1	49	0.0	-69.74	407.35	1.68	-68.06
CC1CCN1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380342	0	46	0.0	-73.35	389.64	1.30	-72.05
CC1CC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380342	1	46	0.0	-71.18	389.85	1.30	-69.88
CC1CC[N@H+]1CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380342	1	46	0.0	-71.18	389.85	1.30	-69.88
C[NH+](C)CC=CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380346	0	46	0.0	-80.49	395.43	1.46	-79.03
CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380381	0	48	0.0	-71.03	395.14	1.68	-69.35
CC[NH+](CC)CCC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380412	0	51	0.0	-73.49	416.68	2.26	-71.23
CC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)N1CCC1	REAL300025380459	0	46	0.0	-70.88	380.67	0.96	-69.92
CC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)[NH+]1CCC1	REAL300025380459	1	46	0.0	-70.88	380.67	0.96	-69.92
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380468	0	51	0.0	-73.03	399.80	1.50	-71.53
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380494	0	49	0.0	-71.10	398.84	1.80	-69.30
C[NH+](C)CC(O)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1	REAL300025380509	0	49	0.0	-77.85	412.59	-0.58	-78.43
C=CCC(C(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](F)C1)[NH+](C)C	REAL300025380527	0	49	0.0	-72.94	403.76	1.83	-71.11
NC(=[NH2+])SCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025380555	0	40	0.0	-70.98	367.41	-2.77	-73.75
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025380573	0	50	0.0	-62.90	405.08	2.36	-60.54
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025380573	1	50	0.0	-62.90	405.08	2.36	-60.54
CCC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)C1	REAL300025380640	1	49	0.0	-67.60	412.46	2.25	-65.35
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025380645	1	46	0.0	-69.38	378.82	0.90	-68.48
O=C(C[NH+]1CCCCC1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1F	REAL300025380656	1	49	0.0	-68.82	400.57	2.23	-66.59
CC1C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)CC[N@@H+]1C	REAL300025380660	0	49	0.0	-70.67	404.96	1.85	-68.82
CC1C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)CC[N@H+]1C	REAL300025380660	1	49	0.0	-69.29	394.84	1.49	-67.80
C[NH+](C)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025380760	0	50	0.0	-76.38	398.77	-0.27	-76.65
[N-]=[N+]=NCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)CSC1=NC(=O)NN1	REAL300025380765	0	44	0.0	-28.57	375.76	-4.67	-33.24
[N-]=[N+]=NCC(=O)N1CC(=O)N[C@@H]2CN(C(=O)CSC3=NC(=O)NN3)CC[C@@H]21	REAL300025380820	0	44	0.0	-25.72	375.79	-4.66	-30.38
C[NH+](C)CC(=O)N1CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025380826	1	50	0.0	-79.60	398.79	-0.24	-79.84
C[NH+](C)CC(=O)NCC1CC2OCCC2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025380931	0	50	0.0	-56.04	399.55	1.43	-54.61
C[C@@H](C(=O)NCC1CC2OCCC2N1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025380936	0	53	0.0	-69.23	417.82	0.73	-68.50
[N-]=[N+]=NCC(=O)NCC1CC2OCCC2N1C(=O)CSC1=NC(=O)NN1	REAL300025380939	0	44	0.0	-21.43	376.27	-2.98	-24.41
C[C@@H](C(=O)NCC1CC2OCCC2N1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025380949	0	53	0.0	-69.23	417.82	0.73	-68.50
O=C(C[NH+]1CCC1)NCC1CC2OCCC2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025380957	1	51	0.0	-72.75	413.81	0.87	-71.88
C[C@H](C(=O)NCC1CC2OCCC2N1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025380962	0	53	0.0	-68.73	419.43	0.73	-68.00
CC[N@@H+](C)CC(=O)NCC1CC2OCCC2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025380974	1	53	0.0	-55.02	417.59	2.03	-52.99
C[C@@H](C(=O)N1C(CNC(=O)CSC2=NNC(=O)[N-]2)CC2OCCC21)[NH+](C)C	REAL300025381104	0	53	0.0	-69.80	412.12	1.47	-68.33
CC[N@@H+](C)CC(=O)N1C(CNC(=O)CSC2=NNC(=O)[N-]2)CC2OCCC21	REAL300025381122	1	53	0.0	-68.06	413.83	1.42	-66.64
C[C@H](C(=O)N1C(CNC(=O)CSC2=NNC(=O)[N-]2)CC2OCCC21)[NH+](C)C	REAL300025381131	0	53	0.0	-66.57	414.72	1.54	-65.03
[N-]=[N+]=NCC(=O)N1C(CNC(=O)CSC2=NC(=O)NN2)CC2OCCC21	REAL300025381152	0	44	0.0	-25.23	377.51	-4.21	-29.44
C[NH+](C)CC(=O)N1C(CNC(=O)CSC2=NNC(=O)[N-]2)CC2OCCC21	REAL300025381174	0	50	0.0	-70.24	399.35	1.23	-69.01
C[C@@H](C(=O)N1C(CNC(=O)CSC2=NNC(=O)[N-]2)CC2OCCC21)[NH+](C)C	REAL300025381177	0	53	0.0	-69.80	412.12	1.47	-68.33
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2OCCC2N1C(=O)C[NH+]1CCC1	REAL300025381183	1	51	0.0	-70.03	409.39	1.69	-68.34
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C	REAL300025381373	0	49	0.0	-65.02	396.67	2.05	-62.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@H+]1C	REAL300025381373	1	49	0.0	-66.78	396.85	2.04	-64.74
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[N@H+](C)CCO1	REAL300025381397	1	50	0.0	-62.43	400.64	1.36	-61.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[N@@H+](C)CCO1	REAL300025381397	1	50	0.0	-76.20	400.53	1.30	-74.90
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381541	0	55	0.0	-62.36	429.29	3.18	-59.18
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381541	1	55	0.0	-66.89	417.02	2.97	-63.92
CC1=[NH+]C=CN1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381564	1	47	0.0	-64.66	399.80	2.66	-62.00
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[NH+]2CCC1CC2	REAL300025381584	0	53	0.0	-72.18	412.33	2.88	-69.30
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025381612	0	52	0.0	-66.86	405.79	1.96	-64.90
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025381612	1	52	0.0	-69.23	411.95	2.55	-66.68
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300025381614	0	55	0.0	-70.32	427.80	2.83	-67.49
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300025381614	1	55	0.0	-67.75	432.08	3.36	-64.39
CC[N@@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025381619	1	53	0.0	-68.99	419.13	2.08	-66.91
CC[N@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025381619	1	53	0.0	-77.41	419.20	2.01	-75.40
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381664	0	55	0.0	-68.84	418.84	2.71	-66.13
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCC[NH+]1CCCC1	REAL300025381666	0	55	0.0	-67.53	440.21	3.52	-64.01
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[NH+]1CCCCC1	REAL300025381669	0	55	0.0	-71.27	435.27	3.52	-67.75
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381672	0	55	0.0	-65.20	430.84	3.40	-61.80
CC[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381672	1	55	0.0	-67.99	431.00	3.34	-64.65
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300025381682	0	52	0.0	-68.97	405.33	2.78	-66.19
CC(C)[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025381688	0	54	0.0	-66.82	415.74	2.63	-64.19
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300025381706	0	52	0.0	-68.91	417.30	3.15	-65.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300025381706	1	52	0.0	-69.30	417.16	3.14	-66.16
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381760	1	51	0.0	-63.23	417.01	2.82	-60.41
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381760	1	51	0.0	-67.86	423.82	3.32	-64.54
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCC1CCC[N@@H+]1C	REAL300025381765	0	55	0.0	-70.82	437.80	3.55	-67.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCC1CCC[N@H+]1C	REAL300025381765	1	55	0.0	-67.45	432.29	3.05	-64.40
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300025381781	0	52	0.0	-72.17	414.98	2.72	-69.45
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300025381808	0	52	0.0	-63.68	402.97	2.42	-61.26
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300025381808	1	52	0.0	-66.68	403.05	2.44	-64.24
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[NH+]1CCOCC1	REAL300025381861	1	53	0.0	-74.40	426.54	1.10	-73.30
CC1=C[NH+]=CN1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381873	1	47	0.0	-68.61	400.99	3.43	-65.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2	REAL300025381889	0	53	0.0	-70.61	415.75	3.00	-67.61
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300025381894	0	52	0.0	-71.52	418.38	2.67	-68.85
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300025381894	1	52	0.0	-67.65	416.21	2.62	-65.03
CCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025381900	0	51	0.0	-70.52	403.77	2.23	-68.29
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCCC[NH+](C)C	REAL300025381947	0	54	0.0	-72.44	436.63	3.23	-69.21
CC(C)C(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025381958	0	54	0.0	-70.74	420.55	3.30	-67.44
CCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381959	0	54	0.0	-72.54	432.86	3.06	-69.48
CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381959	1	54	0.0	-72.76	432.77	3.07	-69.69
CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381962	0	51	0.0	-67.21	409.61	2.41	-64.80
CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025381962	1	51	0.0	-67.21	409.67	2.46	-64.75
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300025381975	0	53	0.0	-73.36	412.40	2.25	-71.11
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300025381975	1	53	0.0	-72.19	412.01	2.39	-69.80
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300025381997	0	49	0.0	-65.09	395.41	2.12	-62.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C	REAL300025381997	1	49	0.0	-68.92	390.35	1.58	-67.34
CC[NH+](CC)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382024	0	51	0.0	-66.06	406.46	2.35	-63.71
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CCC(C)CC1	REAL300025382077	0	55	0.0	-67.65	432.94	3.47	-64.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300025382095	0	52	0.0	-67.71	422.33	2.88	-64.83
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300025382141	0	52	0.0	-72.17	414.98	2.72	-69.45
CC(C)[C@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025382156	0	54	0.0	-69.72	414.73	2.67	-67.05
CCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](CC)CC	REAL300025382183	0	57	0.0	-64.75	433.79	3.13	-61.62
CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382213	0	51	0.0	-71.87	411.36	2.32	-69.55
CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382213	1	51	0.0	-71.98	411.27	2.33	-69.65
CC1CCC[N@H+]1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382236	0	52	0.0	-64.27	408.98	2.37	-61.90
CC1CCC[N@@H+]1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382236	1	52	0.0	-63.74	409.04	2.37	-61.37
CC1CC[N@H+](CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025382237	0	52	0.0	-65.93	415.72	2.67	-63.26
CC1CC[N@@H+](CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025382237	1	52	0.0	-70.49	416.45	2.83	-67.66
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025382239	0	55	0.0	-66.60	435.50	3.29	-63.31
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300025382239	1	55	0.0	-66.25	435.32	3.28	-62.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300025382240	0	57	0.0	-66.35	440.16	3.54	-62.81
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300025382240	1	57	0.0	-67.31	438.21	3.40	-63.91
CC[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025382247	0	51	0.0	-62.82	400.76	2.03	-60.79
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+](C)C	REAL300025382319	0	45	0.0	-71.28	371.23	1.10	-70.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CCCCCC1	REAL300025382322	0	55	0.0	-70.00	422.31	3.13	-66.87
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300025382325	0	47	0.0	-63.28	401.61	4.50	-58.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300025382329	0	52	0.0	-67.02	414.93	2.64	-64.38
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300025382329	1	52	0.0	-66.01	409.45	2.95	-63.06
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300025382334	0	53	0.0	-64.20	412.51	3.12	-61.08
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@H+]1C1CC1	REAL300025382334	1	53	0.0	-70.12	421.54	3.00	-67.12
CC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CCC1	REAL300025382346	1	49	0.0	-64.16	398.60	2.14	-62.02
CCC(CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C[NH+](C)C	REAL300025382350	0	57	0.0	-67.68	446.30	3.77	-63.91
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)(C)C[NH+](C)C	REAL300025382355	0	54	0.0	-64.78	416.32	2.81	-61.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CCC(O)CC1	REAL300025382366	1	53	0.0	-75.68	423.99	-0.41	-76.09
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)C1CC1	REAL300025382367	0	49	0.0	-68.41	400.56	2.48	-65.93
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300025382367	1	49	0.0	-64.70	399.58	2.39	-62.31
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1C[NH+](C)C1	REAL300025382381	0	49	0.0	-70.29	402.31	1.83	-68.46
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025382391	0	55	0.0	-66.94	432.50	2.76	-64.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300025382391	1	55	0.0	-64.63	431.73	2.70	-61.93
C[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025382401	0	48	0.0	-63.70	388.45	1.38	-62.32
C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@@H]1NC(=O)CN=[N+]=[N-]	REAL300025382408	0	39	0.0	-23.05	348.03	-3.25	-26.30
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN1C=CSC1=[NH2+]	REAL300025382450	0	45	0.0	-64.38	397.38	1.24	-63.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[N@H+](C)CCO	REAL300025382455	0	52	0.0	-72.34	421.63	-0.89	-73.23
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[N@@H+](C)CCO	REAL300025382455	1	52	0.0	-70.95	421.69	-0.93	-71.88
C[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025382456	0	48	0.0	-63.70	388.45	1.38	-62.32
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025382459	0	52	0.0	-69.19	413.11	2.68	-66.51
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300025382459	1	52	0.0	-66.74	403.07	2.47	-64.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300025382518	0	50	0.0	-73.55	410.02	2.62	-70.93
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300025382518	1	50	0.0	-69.65	409.26	2.59	-67.06
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)COCC[NH+](C)C	REAL300025382538	0	52	0.0	-68.69	426.31	2.11	-66.58
C=CCC(C)(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025382549	0	55	0.0	-62.88	426.65	3.11	-59.77
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300025382566	0	53	0.0	-77.78	419.79	-0.79	-78.57
CC1CN(CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025382583	0	49	0.0	-71.16	401.13	2.26	-68.90
CC1C[NH+](CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025382583	1	49	0.0	-71.16	401.13	2.26	-68.90
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN(C)CCO	REAL300025382600	0	49	0.0	-66.94	398.52	-1.52	-68.46
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)CCO	REAL300025382600	1	49	0.0	-67.74	398.24	-1.58	-69.32
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)CCO	REAL300025382600	1	49	0.0	-67.74	398.24	-1.58	-69.32
CC[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025382619	0	55	0.0	-65.51	432.65	3.29	-62.22
CC[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025382619	1	55	0.0	-65.51	432.65	3.29	-62.22
CC(CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C[NH+](C)C	REAL300025382621	0	54	0.0	-73.00	427.58	3.02	-69.98
CC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382624	0	48	0.0	-66.64	388.11	1.66	-64.98
CC[N@H+](CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C1CC1	REAL300025382648	0	52	0.0	-65.32	411.68	2.90	-62.42
CC[NH+](CC)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382656	0	54	0.0	-71.56	424.87	2.74	-68.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300025382686	0	53	0.0	-70.00	427.05	-0.45	-70.45
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=CC[NH+](C)C	REAL300025382689	0	49	0.0	-73.20	408.30	2.36	-70.84
COCCN(C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382702	0	52	0.0	-68.20	420.50	0.82	-67.38
COCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382702	1	52	0.0	-66.81	420.71	0.82	-65.99
COCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382702	1	52	0.0	-66.81	420.71	0.82	-65.99
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1([NH+](C)C)CCCC1	REAL300025382719	0	55	0.0	-76.53	420.42	3.40	-73.13
CC(CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025382721	0	54	0.0	-74.86	424.60	2.83	-72.03
CCN1CCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382727	0	49	0.0	-66.11	402.06	2.03	-64.08
CC[N@@H+]1CCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382727	1	49	0.0	-70.06	402.78	2.05	-68.01
CC[N@H+]1CCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382727	1	49	0.0	-70.06	402.78	2.05	-68.01
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CCCC1CO	REAL300025382737	0	53	0.0	-66.70	416.93	-0.35	-67.05
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1(C)CC[NH+](C)CC1	REAL300025382753	0	55	0.0	-71.87	428.48	3.18	-68.69
C=CCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025382769	0	52	0.0	-66.33	414.31	2.55	-63.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025382776	0	55	0.0	-68.88	430.12	2.74	-66.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCCCC[NH+](C)C	REAL300025382778	0	57	0.0	-71.72	458.09	4.01	-67.71
CCCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025382795	0	54	0.0	-71.76	425.28	2.99	-68.77
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300025382798	0	51	0.0	-68.35	398.49	2.21	-66.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300025382821	0	52	0.0	-66.68	403.05	2.44	-64.24
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1=CC[N@H+](C)CC1	REAL300025382840	0	53	0.0	-67.73	430.22	3.47	-64.26
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1=CC[N@@H+](C)CC1	REAL300025382840	1	53	0.0	-67.73	430.22	3.47	-64.26
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=CC[NH+]1CCCC1	REAL300025382870	0	53	0.0	-72.50	433.38	3.53	-68.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[NH+]1CCCC1	REAL300025382897	0	52	0.0	-71.68	418.58	2.75	-68.93
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300025382922	0	50	0.0	-71.58	403.61	2.18	-69.40
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300025382927	0	53	0.0	-67.92	415.31	3.07	-64.85
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN1CC2C=CC1C2	REAL300025382962	0	51	0.0	-65.32	409.30	2.85	-62.47
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300025382962	1	51	0.0	-65.40	410.10	3.04	-62.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+]1CC2C=CC1C2	REAL300025382962	1	51	0.0	-65.40	410.10	3.04	-62.36
CC(C[NH+](C)C)C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025382992	0	51	0.0	-71.91	409.58	2.39	-69.52
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CCCC[N@@H+]1C	REAL300025383031	0	55	0.0	-69.94	429.57	3.18	-66.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CCCC[N@H+]1C	REAL300025383031	1	55	0.0	-69.94	429.57	3.18	-66.76
CC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)N1CC(C)C1	REAL300025383040	0	52	0.0	-68.86	418.67	2.85	-66.01
CC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CC(C)C1	REAL300025383040	1	52	0.0	-68.86	418.67	2.85	-66.01
CC1CCN1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025383042	0	49	0.0	-65.07	396.02	1.82	-63.25
CC1CC[N@@H+]1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025383042	1	49	0.0	-65.06	401.65	2.07	-62.99
CC1CC[N@H+]1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025383042	1	49	0.0	-65.06	401.65	2.07	-62.99
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC(O)C[NH+](C)C	REAL300025383044	0	52	0.0	-71.20	423.05	0.08	-71.12
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CN(C)CC(C)O1	REAL300025383061	0	53	0.0	-80.03	422.48	1.83	-78.20
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300025383061	1	53	0.0	-73.30	429.00	2.22	-71.08
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300025383061	1	53	0.0	-73.30	429.00	2.22	-71.08
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025383099	0	52	0.0	-68.37	420.77	2.79	-65.58
CC(CC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025383103	0	54	0.0	-71.65	431.22	2.96	-68.69
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN1CCN(C)CC1	REAL300025383118	0	54	0.0	-69.23	430.19	0.62	-68.61
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN1CC[NH+](C)CC1	REAL300025383118	1	54	0.0	-69.23	430.19	0.62	-68.61
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383288	0	49	0.0	-61.79	392.41	1.89	-59.90
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383288	1	49	0.0	-62.02	392.79	1.91	-60.11
C[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383314	1	50	0.0	-74.43	403.25	1.27	-73.16
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383314	1	50	0.0	-75.46	396.34	1.16	-74.30
C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383462	1	53	0.0	-69.25	426.33	1.14	-68.11
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383470	0	53	0.0	-60.81	407.30	2.39	-58.42
C[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383493	0	52	0.0	-69.16	417.51	2.69	-66.47
C[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383493	1	52	0.0	-68.19	417.98	2.61	-65.58
CCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025383499	0	51	0.0	-60.51	398.06	1.86	-58.65
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383531	0	54	0.0	-67.41	435.75	3.18	-64.23
CC(C)C(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025383544	0	54	0.0	-64.38	414.74	2.58	-61.80
CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025383545	0	54	0.0	-65.78	431.97	3.00	-62.78
CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025383545	1	54	0.0	-67.61	432.66	3.09	-64.52
CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025383548	0	51	0.0	-63.79	409.63	2.41	-61.38
CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025383548	1	51	0.0	-63.63	409.62	2.40	-61.23
C[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383561	0	53	0.0	-68.41	403.64	1.89	-66.52
C[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383561	1	53	0.0	-63.73	403.26	1.77	-61.96
C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383586	0	55	0.0	-63.45	433.02	3.48	-59.97
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383623	0	52	0.0	-67.61	417.75	2.59	-65.02
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025383640	0	51	0.0	-65.25	410.48	2.26	-62.99
CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025383640	1	51	0.0	-65.43	410.47	2.26	-63.17
C[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383652	0	53	0.0	-63.20	407.08	2.55	-60.65
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383690	0	52	0.0	-69.08	410.62	2.39	-66.69
CC(C)[C@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025383705	0	54	0.0	-63.41	410.99	2.39	-61.02
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383768	0	52	0.0	-66.93	397.52	1.97	-64.96
CCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025383795	0	57	0.0	-59.22	431.48	3.16	-56.06
CC1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025383804	0	52	0.0	-60.67	415.59	2.77	-57.90
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025383804	1	52	0.0	-61.94	417.10	2.76	-59.18
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025383831	0	55	0.0	-62.33	421.08	3.24	-59.09
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025383831	1	55	0.0	-60.03	421.73	3.44	-56.59
CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025383838	0	54	0.0	-58.72	414.08	2.46	-56.26
CC1CC[N@H+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025383848	0	52	0.0	-61.70	416.47	2.65	-59.05
CC1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025383848	1	52	0.0	-63.61	416.41	2.73	-60.88
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383850	0	55	0.0	-62.75	435.28	3.24	-59.51
C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383850	1	55	0.0	-63.96	436.50	3.28	-60.68
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383851	0	57	0.0	-64.31	440.84	3.65	-60.66
C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383851	1	57	0.0	-63.53	438.23	3.40	-60.13
CC[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025383858	0	51	0.0	-59.69	398.01	1.80	-57.89
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025383938	1	47	0.0	-63.18	400.61	2.67	-60.51
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025383981	1	53	0.0	-63.60	414.18	1.84	-61.76
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025383981	1	53	0.0	-67.04	421.60	1.95	-65.09
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384001	1	47	0.0	-64.69	400.94	3.40	-61.29
C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384006	0	52	0.0	-64.95	407.37	2.30	-62.65
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384006	1	52	0.0	-64.85	411.79	2.56	-62.29
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025384008	0	55	0.0	-65.18	428.82	2.65	-62.53
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025384008	1	55	0.0	-62.08	431.63	3.05	-59.03
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384013	0	55	0.0	-61.12	417.81	2.62	-58.50
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384015	0	55	0.0	-65.45	440.21	3.57	-61.88
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384019	0	55	0.0	-64.66	434.39	3.46	-61.20
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384022	0	55	0.0	-63.10	420.91	2.91	-60.19
CC[N@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384022	1	55	0.0	-58.77	416.81	2.67	-56.10
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384102	0	52	0.0	-61.70	416.52	2.97	-58.73
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384102	1	52	0.0	-63.44	417.28	3.09	-60.35
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384126	0	52	0.0	-69.08	410.62	2.39	-66.69
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384148	0	49	0.0	-62.45	392.60	1.85	-60.60
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384148	1	49	0.0	-64.84	389.89	1.51	-63.33
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384165	1	51	0.0	-60.90	416.52	2.75	-58.15
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384165	1	51	0.0	-62.43	419.37	3.20	-59.23
C[C@@H]1CN(C(=O)CCC2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384170	0	55	0.0	-65.60	432.98	3.12	-62.48
C[C@@H]1CN(C(=O)CCC2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384170	1	55	0.0	-66.69	432.96	3.15	-63.54
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384233	0	52	0.0	-63.18	403.66	2.31	-60.87
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384233	1	52	0.0	-61.36	411.99	2.60	-58.76
CC1C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025384282	0	52	0.0	-67.02	412.06	2.54	-64.48
CC1C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025384282	1	52	0.0	-65.76	408.44	2.05	-63.71
C[C@@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384332	0	55	0.0	-59.58	430.95	2.69	-56.89
C[C@@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384332	1	55	0.0	-59.59	410.14	2.05	-57.54
C[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025384345	0	48	0.0	-60.57	386.99	1.30	-59.27
C=CCC(C)(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025384357	0	55	0.0	-66.67	413.40	2.93	-63.74
C[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384369	0	52	0.0	-64.85	417.69	2.69	-62.16
C[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384377	1	49	0.0	-65.35	399.14	-1.46	-66.81
C[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384377	1	49	0.0	-64.00	398.27	-1.57	-65.57
C[C@@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384423	0	53	0.0	-67.43	430.19	3.44	-63.99
C[C@@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384423	1	53	0.0	-66.27	430.20	3.43	-62.84
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384441	0	53	0.0	-65.18	411.90	-1.45	-66.63
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384441	1	53	0.0	-69.90	406.57	-1.48	-71.38
CC1C[NH+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025384467	1	49	0.0	-65.42	401.07	2.23	-63.19
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025384473	0	55	0.0	-66.69	433.07	3.26	-63.43
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025384473	1	55	0.0	-64.86	432.52	3.21	-61.65
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384484	0	53	0.0	-57.58	421.43	2.88	-54.70
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384484	1	53	0.0	-62.73	420.17	2.82	-59.91
C[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384505	0	53	0.0	-66.80	431.78	3.40	-63.40
CC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384542	0	48	0.0	-64.82	388.79	1.78	-63.04
C[C@@H]1CN(C(=O)CN2CC3C=CC2C3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384571	0	51	0.0	-60.48	409.94	2.91	-57.57
C[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384571	1	51	0.0	-59.55	409.57	2.83	-56.72
C[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384571	1	51	0.0	-59.55	409.57	2.83	-56.72
COCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384646	0	52	0.0	-65.47	421.19	0.94	-64.53
COCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384646	1	52	0.0	-65.30	421.39	0.95	-64.35
COCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384646	1	52	0.0	-65.30	421.39	0.95	-64.35
CC(CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025384649	0	54	0.0	-66.53	428.35	2.86	-63.67
CC[N@H+](CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025384662	0	52	0.0	-62.31	417.27	3.07	-59.24
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384687	0	50	0.0	-65.71	394.70	2.27	-63.44
C[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384694	0	53	0.0	-60.71	416.80	3.07	-57.64
C[C@@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384694	1	53	0.0	-60.71	416.80	3.07	-57.64
CC(C[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384707	0	51	0.0	-67.63	409.84	2.15	-65.48
CCN1CCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384735	0	49	0.0	-63.79	402.79	1.96	-61.83
CC[N@@H+]1CCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384735	1	49	0.0	-60.41	393.40	1.57	-58.84
CC[N@H+]1CCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384735	1	49	0.0	-60.41	393.40	1.57	-58.84
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384741	0	57	0.0	-62.39	432.49	1.29	-61.10
CCCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025384771	0	54	0.0	-62.80	419.24	2.75	-60.05
C[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384775	0	51	0.0	-65.60	390.40	1.55	-64.05
CC(CC[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025384788	0	54	0.0	-67.37	431.05	2.83	-64.54
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384836	0	55	0.0	-61.66	432.49	3.04	-58.62
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384836	1	55	0.0	-61.66	432.49	3.04	-58.62
C[C@@H]1CN(C(=O)CCCCC[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384838	0	57	0.0	-67.63	457.25	3.96	-63.67
C[C@@H]1CN(C(=O)CN2CCN(C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384845	0	54	0.0	-65.33	429.46	0.49	-64.84
C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384845	1	54	0.0	-65.33	429.46	0.49	-64.84
C[C@@H]1CN(C(=O)C2CN(C)CC(C)O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384886	0	53	0.0	-69.72	417.83	1.61	-68.11
C[C@@H]1CN(C(=O)C2C[N@H+](C)CC(C)O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384886	1	53	0.0	-71.45	417.45	1.83	-69.62
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384886	1	53	0.0	-71.45	417.45	1.83	-69.62
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384930	0	52	0.0	-61.36	411.99	2.60	-58.76
C[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384988	0	50	0.0	-67.52	408.32	2.48	-65.04
C[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384988	1	50	0.0	-67.52	408.32	2.48	-65.04
C[C@@H]1CN(C(=O)CNC2=CC=[NH+]C=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384990	0	48	0.0	-65.47	406.78	0.38	-65.09
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385040	0	55	0.0	-63.22	409.06	2.65	-60.57
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385056	0	49	0.0	-62.00	392.53	1.85	-60.15
C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385134	0	52	0.0	-67.29	419.60	2.66	-64.63
C[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385142	0	55	0.0	-70.83	441.42	3.39	-67.44
C[C@@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385143	0	53	0.0	-56.92	416.51	2.97	-53.95
C[C@@H]1CN(C(=O)CC2CC=CC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385143	1	53	0.0	-56.92	416.51	2.97	-53.95
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385171	0	52	0.0	-66.63	426.25	2.14	-64.49
C[C@@H]1CN(C(=O)CN2C=CSC2=[NH2+])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385195	0	45	0.0	-61.37	398.24	1.25	-60.12
C[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385251	0	52	0.0	-68.16	415.53	2.52	-65.64
C[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385251	1	52	0.0	-68.16	415.53	2.52	-65.64
C[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385252	0	55	0.0	-64.77	422.16	3.12	-61.65
C[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385255	0	47	0.0	-63.22	402.29	4.62	-58.60
C[C@@H]1CN(C(=O)CN2CCC(O)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385274	0	53	0.0	-67.19	423.27	-0.48	-67.67
C[C@@H]1CN(C(=O)C[NH+]2CCC(O)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385274	1	53	0.0	-67.19	423.27	-0.48	-67.67
C[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385275	0	49	0.0	-60.96	399.61	2.39	-58.57
CC(CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025385293	0	54	0.0	-66.21	427.68	3.04	-63.17
C[C@@H]1CN(C(=O)CC2COCCN2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385310	0	53	0.0	-64.34	414.19	0.80	-63.54
C[C@@H]1CN(C(=O)CC2COCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385310	1	53	0.0	-59.03	413.46	0.64	-58.39
C[C@@H]1CN(C(=O)CC2COCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385310	1	53	0.0	-59.03	413.46	0.64	-58.39
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385371	0	53	0.0	-65.46	427.26	-0.50	-65.96
C[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385392	0	49	0.0	-66.90	402.24	1.87	-65.03
C[C@@H]1CN(C(=O)CC[N@H+](C)CCO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385415	0	52	0.0	-66.33	421.46	-0.88	-67.21
C[C@@H]1CN(C(=O)CC[N@@H+](C)CCO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385415	1	52	0.0	-66.33	421.46	-0.88	-67.21
C[C@@H]1CN(C(=O)CC2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385430	0	55	0.0	-58.72	422.91	3.11	-55.61
C[C@@H]1CN(C(=O)CC2CCCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385430	1	55	0.0	-58.72	422.91	3.11	-55.61
CC1CCN1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025385442	0	49	0.0	-63.03	401.77	2.08	-60.95
CC1CC[N@@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025385442	1	49	0.0	-61.16	396.13	1.78	-59.38
CC1CC[N@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025385442	1	49	0.0	-61.16	396.13	1.78	-59.38
C[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385448	0	49	0.0	-67.56	406.70	2.23	-65.33
C[C@@H]1CN(C(=O)CN2CC(C)(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385453	0	52	0.0	-64.84	421.65	2.71	-62.13
C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385453	1	52	0.0	-64.84	421.65	2.71	-62.13
C[C@@H]1CN(C(=O)C[N@@H+]2CCCC2CO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385487	0	53	0.0	-60.70	424.39	-0.58	-61.28
CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025385489	0	51	0.0	-62.47	406.81	2.35	-60.12
C[C@@H]1CN(C(=O)CN2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385498	0	46	0.0	-65.52	381.17	1.52	-64.00
C[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385498	1	46	0.0	-65.52	381.17	1.52	-64.00
CC[NH+](CC)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025385526	0	54	0.0	-64.24	428.34	2.97	-61.27
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300025385576	0	49	0.0	-59.95	399.37	1.89	-58.06
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025385576	1	49	0.0	-59.95	399.37	1.89	-58.06
CCC(CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025385581	0	57	0.0	-69.80	445.76	3.65	-66.15
C[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385586	0	54	0.0	-61.55	409.03	2.41	-59.14
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385615	0	52	0.0	-65.43	403.13	2.25	-63.18
C[C@@H]1CN(C(=O)CC(O)C[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385634	0	52	0.0	-70.82	423.54	0.18	-70.64
C=CCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025385654	0	52	0.0	-63.02	413.61	2.52	-60.50
C[C@@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385665	0	55	0.0	-67.73	418.06	2.53	-65.20
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CSC(N)=[NH2+]	REAL300025385686	0	43	0.0	-72.45	378.99	-1.90	-74.35
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1(CC[NH+](C)C)CC1	REAL300025385709	0	55	0.0	-75.80	446.96	3.53	-72.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CC=CC[N@@H+]1C	REAL300025385710	0	53	0.0	-70.92	421.64	3.10	-67.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CC=CC[N@H+]1C	REAL300025385710	1	53	0.0	-70.92	421.64	3.10	-67.82
CCC1C[NH+](CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025385791	1	52	0.0	-71.70	423.83	2.98	-68.72
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300025385796	1	49	0.0	-67.41	397.20	2.14	-65.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CCCCC1	REAL300025385813	0	52	0.0	-70.78	412.89	2.94	-67.84
CC1C(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300025385818	0	52	0.0	-63.50	411.57	2.28	-61.22
CC1C(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300025385818	1	52	0.0	-64.26	412.41	2.48	-61.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1COCCN1C	REAL300025385846	0	53	0.0	-77.15	421.82	0.92	-76.23
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1COCC[N@@H+]1C	REAL300025385846	1	53	0.0	-67.43	413.50	0.67	-66.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1COCC[N@H+]1C	REAL300025385846	1	53	0.0	-77.15	421.82	0.92	-76.23
CCOCC(N=[N+]=[N-])C(=O)N[C@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1C	REAL300025385853	0	49	0.0	-22.72	423.06	-2.40	-25.12
CC(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)NC(=O)C[NH+](C)C	REAL300025385996	0	54	0.0	-74.40	426.83	3.19	-71.21
CC(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)NC(=O)[C@H](C)[NH+](C)C	REAL300025386001	0	57	0.0	-72.92	444.87	3.58	-69.34
CC(CC1CCN(C(=O)CSC2=NC(=O)NN2)CC1)NC(=O)CN=[N+]=[N-]	REAL300025386004	0	48	0.0	-24.84	403.83	-1.20	-26.04
CC(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)NC(=O)[C@H](C)[NH+](C)C	REAL300025386014	0	57	0.0	-72.92	444.87	3.58	-69.34
CC(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)NC(=O)C[NH+]1CCC1	REAL300025386022	1	55	0.0	-74.44	436.96	3.64	-70.80
CC(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)NC(=O)[C@@H](C)[NH+](C)C	REAL300025386027	0	57	0.0	-72.85	444.95	3.58	-69.27
CC[N@@H+](C)CC(=O)NC(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025386039	1	57	0.0	-74.05	444.59	3.87	-70.18
CC(CC1CCN(C(=O)[C@H](C)[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025386176	0	57	0.0	-71.31	442.62	3.42	-67.89
CC[N@H+](C)CC(=O)N1CCC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025386195	0	57	0.0	-67.55	444.56	3.74	-63.81
CC[N@@H+](C)CC(=O)N1CCC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025386195	1	57	0.0	-67.56	444.57	3.76	-63.80
CC(CC1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025386208	0	57	0.0	-71.95	442.40	3.45	-68.50
CC(CC1CCN(C(=O)CN=[N+]=[N-])CC1)NC(=O)CSC1=NC(=O)NN1	REAL300025386232	0	48	0.0	-25.53	403.83	-1.31	-26.84
CC(CC1CCN(C(=O)C[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025386259	0	54	0.0	-74.16	426.86	3.10	-71.06
CC(CC1CCN(C(=O)[C@H](C)[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025386262	0	57	0.0	-71.31	442.62	3.42	-67.89
CC(CC1CCN(C(=O)C[NH+]2CCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025386269	1	55	0.0	-68.24	436.93	3.50	-64.74
C[NH+](C)CC(=O)NCC1(C(C)(C)O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025386387	0	52	0.0	-56.68	414.23	-0.11	-56.79
CC(C)(O)C1(CNC(=O)CN=[N+]=[N-])CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025386393	0	46	0.0	-22.82	391.18	-4.53	-27.35
CC(C)(O)C1(CNC(=O)CSC2=NC(=O)NN2)CN(C(=O)CN=[N+]=[N-])C1	REAL300025386575	0	46	0.0	-24.00	393.49	-4.64	-28.64
C[NH+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(C)(C)O)C1	REAL300025386597	0	52	0.0	-63.41	416.42	-0.24	-63.65
CC(C)(O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC2)C1	REAL300025386606	1	53	0.0	-67.06	424.40	0.31	-66.75
C[NH+](C)CC(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025386725	0	52	0.0	-75.45	419.55	3.64	-71.81
C[C@@H](C(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025386730	0	55	0.0	-73.75	435.40	3.96	-69.79
[N-]=[N+]=NCC(=O)N1CCC(C2CCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025386733	0	46	0.0	-24.21	396.73	-0.76	-24.97
C[C@@H](C(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025386743	0	55	0.0	-73.75	435.40	3.96	-69.79
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CCN(C(=O)C[NH+]3CCC3)C2)C1	REAL300025386751	1	53	0.0	-73.39	430.05	4.13	-69.26
C[C@H](C(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025386756	0	55	0.0	-73.96	435.69	3.95	-70.01
CC[N@H+](C)CC(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025386768	0	55	0.0	-74.76	437.27	4.32	-70.44
CC[N@@H+](C)CC(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025386768	1	55	0.0	-74.80	437.28	4.31	-70.49
C[C@@H](C(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025386914	0	55	0.0	-73.75	435.40	3.96	-69.79
CC[N@H+](C)CC(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025386933	0	55	0.0	-74.76	437.27	4.32	-70.44
CC[N@@H+](C)CC(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025386933	1	55	0.0	-74.80	437.28	4.31	-70.49
C[C@H](C(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025386946	0	55	0.0	-73.96	435.69	3.95	-70.01
[N-]=[N+]=NCC(=O)N1CCC(C2CCN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025386971	0	46	0.0	-24.21	396.73	-0.76	-24.97
C[NH+](C)CC(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025387002	0	52	0.0	-75.45	419.55	3.64	-71.81
C[C@@H](C(=O)N1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025387005	0	55	0.0	-73.75	435.40	3.96	-69.79
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CCN(C(=O)C[NH+]3CCC3)C2)C1	REAL300025387012	1	53	0.0	-73.39	430.05	4.13	-69.26
C[NH+](C)CC(=O)NC1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025387151	0	52	0.0	-68.99	409.44	2.87	-66.12
C[C@@H](C(=O)NC1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025387156	0	55	0.0	-70.04	432.85	2.74	-67.30
[N-]=[N+]=NCC(=O)NC1CCCC2CN(C(=O)CSC3=NC(=O)NN3)CC21	REAL300025387159	0	46	0.0	-23.48	386.28	-1.53	-25.01
C[C@@H](C(=O)NC1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025387169	0	55	0.0	-70.04	432.85	2.74	-67.30
C[C@H](C(=O)NC1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025387182	0	55	0.0	-67.56	433.81	2.81	-64.75
CC[N@H+](C)CC(=O)NC1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025387194	0	55	0.0	-71.19	427.64	3.57	-67.62
CC[N@@H+](C)CC(=O)NC1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025387194	1	55	0.0	-69.38	433.21	3.04	-66.34
C[C@@H](C(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025387340	0	55	0.0	-72.85	426.48	3.19	-69.66
CC[N@H+](C)CC(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025387359	0	55	0.0	-73.47	427.26	3.49	-69.98
CC[N@@H+](C)CC(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025387359	1	55	0.0	-74.03	433.33	3.04	-70.99
C[C@H](C(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025387372	0	55	0.0	-73.71	431.66	2.66	-71.05
[N-]=[N+]=NCC(=O)N1CC2CCCC(NC(=O)CSC3=NC(=O)NN3)C2C1	REAL300025387397	0	46	0.0	-24.61	387.20	-1.52	-26.13
C[NH+](C)CC(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025387428	0	52	0.0	-74.26	409.43	2.83	-71.43
C[C@@H](C(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025387431	0	55	0.0	-72.85	426.48	3.19	-69.66
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC2CN(C(=O)C[NH+]3CCC3)CC21	REAL300025387438	1	53	0.0	-74.31	419.84	3.23	-71.08
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCC[N@@H+]1C	REAL300025387576	0	55	0.0	-64.75	424.46	2.60	-62.15
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1CCC[N@H+]1C	REAL300025387576	1	55	0.0	-64.72	418.22	2.34	-62.38
CCC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025387676	0	57	0.0	-63.23	434.78	3.06	-60.17
CCC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025387681	0	57	0.0	-65.61	443.59	3.47	-62.14
CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025387681	1	57	0.0	-65.48	437.54	3.24	-62.24
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300025387689	0	55	0.0	-62.43	424.76	2.82	-59.61
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300025387689	1	55	0.0	-64.65	424.36	2.59	-62.06
CC[NH+](CC)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025387694	0	57	0.0	-63.89	435.95	3.13	-60.76
CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025387750	0	57	0.0	-67.13	444.46	3.27	-63.86
CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025387750	1	57	0.0	-67.16	444.45	3.27	-63.89
CC[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025387753	0	57	0.0	-63.50	428.56	2.85	-60.65
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[NH+](C)C	REAL300025387771	0	51	0.0	-66.13	404.36	2.05	-64.08
CC(C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+]1CCC1	REAL300025387775	1	55	0.0	-63.50	428.34	2.76	-60.74
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@H+](C)C1CC1	REAL300025387781	0	55	0.0	-63.37	433.77	3.46	-59.91
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[N@@H+](C)C1CC1	REAL300025387781	1	55	0.0	-63.05	433.62	3.46	-59.59
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)CC1C[NH+](C)C1	REAL300025387787	0	55	0.0	-67.76	435.78	2.88	-64.88
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025387794	0	54	0.0	-64.37	416.47	2.23	-62.14
CC1CCN(C(=O)CSC2=NC(=O)NN2)CC1CNC(=O)CN=[N+]=[N-]	REAL300025387797	0	45	0.0	-22.11	381.34	-2.35	-24.46
C[C@@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025387815	0	54	0.0	-64.37	416.47	2.23	-62.14
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C[NH+]1CCC1	REAL300025387833	1	52	0.0	-65.64	408.40	2.24	-63.40
C[C@H](C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025387844	0	54	0.0	-64.06	416.44	2.24	-61.82
CC1C[NH+](CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)C1	REAL300025387850	1	55	0.0	-65.77	428.37	2.98	-62.79
CC[N@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025387867	0	54	0.0	-65.17	416.04	2.49	-62.68
CC[N@@H+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025387867	1	54	0.0	-65.11	416.04	2.49	-62.62
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C=CC[NH+](C)C	REAL300025387883	0	55	0.0	-70.42	441.59	3.30	-67.12
CC[N@@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025387889	1	55	0.0	-63.55	428.21	2.91	-60.64
CC[N@H+]1CCC1C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025387889	1	55	0.0	-64.24	436.06	3.07	-61.17
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C(C)(C)[NH+](C)C	REAL300025387902	0	57	0.0	-64.38	432.05	3.12	-61.26
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1([NH+](C)C)CC1	REAL300025387924	0	55	0.0	-65.96	427.59	3.28	-62.68
CC(C[NH+](C)C)C(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025387946	0	57	0.0	-67.15	442.77	3.32	-63.83
CC1CC[N@@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025387955	1	55	0.0	-63.59	430.16	2.87	-60.72
CC1CC[N@H+]1CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025387955	1	55	0.0	-64.28	435.70	3.13	-61.15
CC1CCN(C(=O)C2CCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388064	0	55	0.0	-69.24	426.21	2.73	-66.51
CC1CCN(C(=O)C2CCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388064	1	55	0.0	-69.81	423.03	2.57	-67.24
CCC(C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025388135	0	57	0.0	-70.80	425.01	2.71	-68.09
CCC[N@H+](C)CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388139	0	57	0.0	-73.22	437.54	3.14	-70.08
CCC[N@@H+](C)CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388139	1	57	0.0	-73.24	443.62	3.36	-69.88
CC[N@H+](C)CCC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388156	0	57	0.0	-75.08	444.50	3.24	-71.84
CC[N@@H+](C)CCC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388156	1	57	0.0	-75.09	444.52	3.22	-71.87
CC[C@@H](C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025388196	0	57	0.0	-71.21	428.75	2.76	-68.45
CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388242	0	55	0.0	-69.87	420.06	2.54	-67.33
CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388242	1	55	0.0	-71.83	422.77	2.51	-69.32
C[C@@H](C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025388296	0	54	0.0	-71.14	415.01	2.12	-69.02
CC1C[NH+](CC(=O)N2CCC(C)C(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025388320	1	55	0.0	-73.43	435.66	3.05	-70.38
CC[N@H+](C)CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388338	0	54	0.0	-72.88	416.05	2.39	-70.49
CC[N@@H+](C)CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388338	1	54	0.0	-72.94	422.12	2.62	-70.32
CC(C[NH+](C)C)C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388368	0	57	0.0	-70.35	435.97	2.81	-67.54
CC1CCN(C(=O)C2([NH+](C)C)CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388371	0	55	0.0	-75.63	426.79	2.65	-72.98
C[C@H](C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025388375	0	54	0.0	-71.01	420.61	2.29	-68.72
CC[N@@H+]1CCC1C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388378	1	55	0.0	-70.45	422.30	2.42	-68.03
CC[N@H+]1CCC1C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388378	1	55	0.0	-70.49	421.26	2.37	-68.12
CC1CCN(C(=O)C(C)(C)[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388386	0	57	0.0	-74.84	424.12	2.47	-72.37
CC1CCN(C(=O)CN=[N+]=[N-])CC1CNC(=O)CSC1=NC(=O)NN1	REAL300025388432	0	45	0.0	-23.42	381.34	-2.45	-25.87
CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388445	0	55	0.0	-71.85	422.86	2.50	-69.35
CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388445	1	55	0.0	-69.71	429.17	2.83	-66.88
CC1CCN(C(=O)C[N@H+](C)C2CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388482	0	55	0.0	-70.62	427.71	3.13	-67.49
CC1CCN(C(=O)C[N@@H+](C)C2CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388482	1	55	0.0	-70.02	427.53	3.11	-66.91
CC1CCN(C(=O)CC2C[NH+](C)C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388510	0	55	0.0	-74.48	435.42	2.72	-71.76
CC1CCN(C(=O)C[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388513	0	51	0.0	-73.56	404.32	1.94	-71.62
C[C@@H](C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025388516	0	54	0.0	-71.14	415.01	2.12	-69.02
CC1CC[N@@H+]1CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388523	1	55	0.0	-71.98	429.57	2.84	-69.14
CC1CC[N@H+]1CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388523	1	55	0.0	-70.94	430.14	2.76	-68.18
CC1CCN(C(=O)C=CC[NH+](C)C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388524	0	55	0.0	-77.52	433.20	2.94	-74.58
CC[NH+](CC)CC(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388530	0	57	0.0	-71.26	440.08	3.28	-67.98
CC1CCN(C(=O)C[NH+]2CCC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388531	1	52	0.0	-73.50	408.61	2.17	-71.33
CC(C(=O)N1CCC(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025388553	1	55	0.0	-66.42	417.13	2.25	-64.17
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025388621	0	55	0.0	-64.74	418.25	2.36	-62.38
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300025388621	1	55	0.0	-63.10	430.18	3.08	-60.02
C[N@@H+]1CCCC1C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025388748	0	53	0.0	-64.90	417.33	2.93	-61.97
C[N@H+]1CCCC1C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025388748	1	53	0.0	-61.07	412.86	2.75	-58.32
CCC(C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025388851	0	55	0.0	-66.43	421.71	2.90	-63.53
CCC[N@H+](C)CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025388856	0	55	0.0	-67.62	431.18	3.28	-64.34
CCC[N@@H+](C)CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025388856	1	55	0.0	-67.90	430.53	3.31	-64.59
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025388864	0	53	0.0	-64.40	410.74	2.40	-62.00
C[N@H+]1CCC[C@@H]1C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025388864	1	53	0.0	-62.99	419.47	3.46	-59.53
CC[NH+](CC)CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025388869	0	55	0.0	-67.62	421.57	2.95	-64.67
CC[N@H+](C)CCC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025388927	0	55	0.0	-71.17	431.84	3.07	-68.10
CC[N@@H+](C)CCC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025388927	1	55	0.0	-70.90	431.84	3.06	-67.84
CC[C@@H](C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025388930	0	55	0.0	-66.59	422.61	2.92	-63.67
C[NH+](C)CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025388948	0	49	0.0	-68.32	391.30	1.89	-66.43
CC(C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025388952	1	53	0.0	-64.84	421.64	2.81	-62.03
C[N@H+](CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025388959	0	53	0.0	-65.24	421.01	3.26	-61.98
C[N@@H+](CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025388959	1	53	0.0	-65.93	421.01	3.26	-62.67
C[NH+]1CC(CC(=O)NCC23CCC2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025388965	0	53	0.0	-72.32	422.74	2.72	-69.60
C[C@@H](C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025388972	0	52	0.0	-68.46	409.06	2.29	-66.17
[N-]=[N+]=NCC(=O)NCC12CCC1CCN2C(=O)CSC1=NC(=O)NN1	REAL300025388975	0	43	0.0	-25.05	368.91	-2.52	-27.57
C[C@@H](C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025388994	0	52	0.0	-68.46	409.06	2.29	-66.17
C[C@H](C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025389023	0	52	0.0	-66.06	409.04	2.28	-63.78
CC1C[NH+](CC(=O)NCC23CCC2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025389030	1	53	0.0	-67.86	423.38	3.06	-64.80
C[N@H+](CCO)CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389041	1	53	0.0	-69.62	419.38	-0.68	-70.30
C[N@@H+](CCO)CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389041	1	53	0.0	-68.57	419.25	-0.69	-69.26
CC[N@H+](C)CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389048	0	52	0.0	-68.11	409.48	2.52	-65.59
CC[N@@H+](C)CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389048	1	52	0.0	-67.44	409.68	2.54	-64.90
C[NH+](C)CC=CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389066	0	53	0.0	-75.85	428.52	3.15	-72.70
CC[N@@H+]1CCC1C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389072	1	53	0.0	-65.38	425.58	3.15	-62.23
CC[N@H+]1CCC1C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389072	1	53	0.0	-65.17	424.46	3.21	-61.96
C[NH+](C)C(C)(C)C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389086	0	55	0.0	-68.14	419.05	3.11	-65.03
C[NH+](C)C1(C(=O)NCC23CCC2CCN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025389109	0	53	0.0	-76.72	417.81	2.50	-74.22
CC(C[NH+](C)C)C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389131	0	55	0.0	-70.02	429.70	3.16	-66.86
CC1CC[N@@H+]1CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389142	1	53	0.0	-66.91	417.30	2.66	-64.25
CC1CC[N@H+]1CC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389142	1	53	0.0	-62.62	426.02	3.46	-59.16
C[N@@H+]1CCCC1C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389257	0	53	0.0	-65.51	417.81	3.06	-62.45
C[N@H+]1CCCC1C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389257	1	53	0.0	-67.25	416.23	2.79	-64.46
CCC(C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025389331	0	55	0.0	-65.48	418.41	2.64	-62.84
CCC[N@H+](C)CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389334	0	55	0.0	-69.98	430.52	3.23	-66.75
CCC[N@@H+](C)CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389334	1	55	0.0	-69.61	431.61	3.36	-66.25
CC[N@H+](C)CCC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389350	0	55	0.0	-71.97	431.84	3.05	-68.92
CC[N@@H+](C)CCC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389350	1	55	0.0	-72.06	431.84	3.04	-69.02
CC[C@@H](C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025389376	0	55	0.0	-66.04	419.24	2.79	-63.25
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389413	0	53	0.0	-71.36	410.03	2.26	-69.10
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389413	1	53	0.0	-67.11	415.95	2.84	-64.27
C[C@@H](C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025389458	0	52	0.0	-67.17	407.14	2.19	-64.98
C[N@H+](CCO)CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389468	1	53	0.0	-69.70	420.47	-0.62	-70.32
C[N@@H+](CCO)CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389468	1	53	0.0	-71.01	419.26	-0.77	-71.78
CC1C[NH+](CC(=O)N2CCC3CCC32CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025389484	1	53	0.0	-70.29	423.02	2.89	-67.40
CC[N@H+](C)CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389500	0	52	0.0	-69.80	409.48	2.46	-67.34
CC[N@@H+](C)CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389500	1	52	0.0	-69.33	410.11	2.62	-66.71
CC(C[NH+](C)C)C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389527	0	55	0.0	-69.04	425.07	3.76	-65.28
C[C@H](C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025389531	0	52	0.0	-66.14	405.63	3.03	-63.11
CC[N@@H+]1CCC1C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389534	1	53	0.0	-72.63	421.43	2.96	-69.67
CC[N@H+]1CCC1C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389534	1	53	0.0	-69.99	421.99	2.88	-67.11
[N-]=[N+]=NCC(=O)N1CCC2CCC21CNC(=O)CSC1=NC(=O)NN1	REAL300025389584	0	43	0.0	-24.96	368.71	-2.61	-27.57
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389593	0	53	0.0	-67.06	412.72	2.65	-64.41
C[N@H+]1CCC[C@H]1C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389593	1	53	0.0	-66.24	410.26	3.16	-63.08
C[N@H+](CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025389623	0	53	0.0	-67.14	421.01	3.20	-63.94
C[N@@H+](CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025389623	1	53	0.0	-67.33	421.15	3.20	-64.13
C[NH+]1CC(CC(=O)N2CCC3CCC32CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025389647	0	53	0.0	-69.62	423.19	2.64	-66.98
C[NH+](C)CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389650	0	49	0.0	-70.33	391.75	1.79	-68.54
C[C@@H](C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025389653	0	52	0.0	-67.17	407.14	2.19	-64.98
CC1CC[N@@H+]1CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389660	1	53	0.0	-67.75	420.16	3.12	-64.63
CC1CC[N@H+]1CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389660	1	53	0.0	-68.38	422.85	2.91	-65.47
C[NH+](C)CC=CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389661	0	53	0.0	-73.71	427.82	3.04	-70.67
CC[NH+](CC)CC(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025389667	0	55	0.0	-65.98	425.28	4.05	-61.93
O=C(CSC1=NNC(=O)[N-]1)NCC12CCC1CCN2C(=O)C[NH+]1CCC1	REAL300025389668	1	50	0.0	-70.46	401.84	2.22	-68.24
CC(C(=O)N1CCC2CCC21CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025389686	1	53	0.0	-66.91	415.66	2.65	-64.26
NC(=[NH2+])SCC(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389717	0	47	0.0	-71.10	399.22	-1.16	-72.26
C[N@@H+]1CCC[C@H]1C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389749	0	53	0.0	-66.51	417.81	2.89	-63.62
C[N@H+]1CCC[C@H]1C(=O)NCC12CCC1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025389749	1	53	0.0	-70.77	412.00	2.40	-68.37
C[NH+](C)CC(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025389903	0	52	0.0	-71.34	408.61	3.62	-67.72
C[C@@H](C(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025389908	0	55	0.0	-70.39	425.88	3.99	-66.40
[N-]=[N+]=NCC(=O)N1CCC(C2CCCN2C(=O)CSC2=NC(=O)NN2)C1	REAL300025389911	0	46	0.0	-24.10	386.82	-0.62	-24.72
C[C@@H](C(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025389921	0	55	0.0	-70.39	425.88	3.99	-66.40
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1CCN(C(=O)C[NH+]2CCC2)C1	REAL300025389929	1	53	0.0	-71.61	418.61	4.08	-67.53
C[C@H](C(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025389934	0	55	0.0	-72.02	427.39	4.12	-67.90
CC[N@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025389946	0	55	0.0	-71.97	427.58	4.47	-67.50
CC[N@@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025389946	1	55	0.0	-70.22	427.68	4.37	-65.85
C[C@@H](C(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025390084	0	55	0.0	-67.63	424.27	3.96	-63.67
CC[N@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025390102	0	55	0.0	-68.01	426.30	4.27	-63.74
CC[N@@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025390102	1	55	0.0	-67.94	425.86	4.24	-63.70
C[C@H](C(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025390111	0	55	0.0	-65.08	425.90	3.98	-61.10
[N-]=[N+]=NCC(=O)N1CCCC1C1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025390133	0	46	0.0	-24.14	387.33	-0.70	-24.84
C[NH+](C)CC(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025390158	0	52	0.0	-68.69	410.06	3.69	-65.00
C[C@@H](C(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025390161	0	55	0.0	-67.63	424.27	3.96	-63.67
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CCCN2C(=O)C[NH+]2CCC2)C1	REAL300025390167	1	53	0.0	-68.80	420.36	4.15	-64.65
CC(NC(=O)C1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390294	0	53	0.0	-66.95	421.04	1.13	-65.82
CC(NC(=O)C1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390294	1	53	0.0	-67.61	417.99	1.07	-66.54
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390387	0	53	0.0	-66.88	421.89	1.08	-65.80
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390387	1	53	0.0	-68.24	416.06	0.59	-67.65
CC(NC(=O)C[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390462	0	49	0.0	-70.30	396.09	0.05	-70.25
CC(NC(=O)C(C)[NH+]1CCC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390466	1	53	0.0	-67.61	424.31	1.11	-66.50
CC(NC(=O)C[N@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390471	0	53	0.0	-67.02	425.38	1.45	-65.57
CC(NC(=O)C[N@@H+](C)C1CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390471	1	53	0.0	-67.04	425.35	1.45	-65.59
CC(NC(=O)CC1C[NH+](C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390476	0	53	0.0	-71.81	427.55	0.86	-70.95
CC(NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390483	0	52	0.0	-67.39	415.54	0.92	-66.47
CC(NC(=O)CN=[N+]=[N-])C1CN(C(=O)CSC2=NC(=O)NN2)CCO1	REAL300025390486	0	43	0.0	-23.29	373.05	-4.35	-27.64
CC(NC(=O)[C@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390503	0	52	0.0	-67.39	415.54	0.92	-66.47
CC(NC(=O)[C@@H](C)[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390523	0	52	0.0	-68.37	415.47	0.94	-67.43
CC(NC(=O)C[NH+]1CC(C)C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390529	1	53	0.0	-69.78	427.41	1.68	-68.10
CC[N@H+](C)CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390544	0	52	0.0	-69.49	413.82	0.71	-68.78
CC[N@@H+](C)CC(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390544	1	52	0.0	-69.51	413.84	0.72	-68.79
CC(NC(=O)C=CC[NH+](C)C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390559	0	53	0.0	-73.45	433.33	1.74	-71.71
CC[N@@H+]1CCC1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390563	1	53	0.0	-69.09	427.75	1.01	-68.08
CC[N@H+]1CCC1C(=O)NC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390563	1	53	0.0	-67.44	420.91	0.77	-66.67
CC(NC(=O)C1([NH+](C)C)CC1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390592	0	53	0.0	-72.20	419.34	1.27	-70.93
CC(NC(=O)C[N@@H+]1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390615	1	53	0.0	-68.58	427.43	1.13	-67.45
CC(NC(=O)C[N@H+]1CCC1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390615	1	53	0.0	-67.37	423.15	1.33	-66.04
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@@H+]2C)CCO1	REAL300025390715	0	53	0.0	-70.75	419.84	1.29	-69.46
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2CCC[N@H+]2C)CCO1	REAL300025390715	1	53	0.0	-70.54	422.60	1.27	-69.27
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1	REAL300025390865	0	53	0.0	-70.69	419.92	1.28	-69.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1	REAL300025390865	1	53	0.0	-72.69	414.50	0.49	-72.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H](C)[NH+](C)C)CCO1	REAL300025390916	0	52	0.0	-71.27	413.15	0.75	-70.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CC(C)C2)CCO1	REAL300025390937	1	53	0.0	-74.37	429.22	1.52	-72.85
CC[N@H+](C)CC(=O)N1CCOC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025390954	0	52	0.0	-73.95	415.70	1.09	-72.86
CC[N@@H+](C)CC(=O)N1CCOC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025390954	1	52	0.0	-73.86	415.73	1.11	-72.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2([NH+](C)C)CC2)CCO1	REAL300025390980	0	53	0.0	-75.69	420.53	1.11	-74.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H](C)[NH+](C)C)CCO1	REAL300025390984	0	52	0.0	-72.63	412.21	0.28	-72.35
CC[N@@H+]1CCC1C(=O)N1CCOC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025390986	1	53	0.0	-74.33	426.66	0.85	-73.48
CC[N@H+]1CCC1C(=O)N1CCOC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025390986	1	53	0.0	-73.55	427.81	1.37	-72.18
CC(NC(=O)CSC1=NC(=O)NN1)C1CN(C(=O)CN=[N+]=[N-])CCO1	REAL300025391031	0	43	0.0	-24.27	374.96	-3.96	-28.23
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1	REAL300025391042	0	53	0.0	-74.47	416.14	0.95	-73.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1	REAL300025391042	1	53	0.0	-71.84	421.55	0.85	-70.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+](C)C2CC2)CCO1	REAL300025391073	0	53	0.0	-70.87	427.26	1.85	-69.02
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+](C)C2CC2)CCO1	REAL300025391073	1	53	0.0	-71.71	425.35	1.35	-70.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2C[NH+](C)C2)CCO1	REAL300025391095	0	53	0.0	-75.07	429.28	1.32	-73.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+](C)C)CCO1	REAL300025391098	0	49	0.0	-74.62	397.99	0.44	-74.18
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)[C@H](C)[NH+](C)C)CCO1	REAL300025391101	0	52	0.0	-71.27	413.15	0.75	-70.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@@H+]2CCC2C)CCO1	REAL300025391108	1	53	0.0	-72.53	421.89	0.76	-71.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[N@H+]2CCC2C)CCO1	REAL300025391108	1	53	0.0	-73.08	429.20	1.54	-71.54
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C=CC[NH+](C)C)CCO1	REAL300025391109	0	53	0.0	-78.49	434.14	1.72	-76.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C[NH+]2CCC2)CCO1	REAL300025391115	1	50	0.0	-74.48	408.19	0.89	-73.59
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C(C)[NH+]2CCC2)CCO1	REAL300025391132	1	53	0.0	-71.15	417.99	0.95	-70.20
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025391186	0	53	0.0	-67.40	417.38	1.06	-66.34
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025391186	1	53	0.0	-65.81	423.02	1.47	-64.34
C[N@@H+]1CCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391309	0	53	0.0	-70.32	425.23	2.77	-67.55
C[N@H+]1CCCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391309	1	53	0.0	-69.98	424.70	2.95	-67.03
CCC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12)[NH+](C)C	REAL300025391412	0	55	0.0	-71.19	429.57	2.85	-68.34
CCC[N@H+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391417	0	55	0.0	-73.56	439.17	3.27	-70.29
CCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391417	1	55	0.0	-73.51	439.17	3.29	-70.22
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391425	0	53	0.0	-70.10	419.41	2.37	-67.73
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391425	1	53	0.0	-70.93	425.47	2.87	-68.06
CC[NH+](CC)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391430	0	55	0.0	-71.25	430.47	2.99	-68.26
CC[N@H+](C)CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391488	0	55	0.0	-74.26	439.29	3.11	-71.15
CC[N@@H+](C)CCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391488	1	55	0.0	-74.24	439.30	3.11	-71.13
CC[C@@H](C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12)[NH+](C)C	REAL300025391491	0	55	0.0	-71.16	430.31	2.81	-68.35
C[NH+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391509	0	49	0.0	-72.36	399.61	1.80	-70.56
CC(C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12)[NH+]1CCC1	REAL300025391513	1	53	0.0	-70.60	427.24	2.99	-67.61
C[N@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12)C1CC1	REAL300025391520	0	53	0.0	-71.08	429.34	3.29	-67.79
C[N@@H+](CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12)C1CC1	REAL300025391520	1	53	0.0	-69.84	429.14	3.24	-66.60
C[NH+]1CC(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]23)C1	REAL300025391526	0	53	0.0	-73.87	430.06	2.66	-71.21
C[C@@H](C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12)[NH+](C)C	REAL300025391533	0	52	0.0	-72.52	417.76	2.21	-70.31
[N-]=[N+]=NCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NC(=O)NN3)C[C@@H]12	REAL300025391536	0	43	0.0	-24.87	376.91	-2.53	-27.40
C[C@@H](C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12)[NH+](C)C	REAL300025391555	0	52	0.0	-72.52	417.76	2.21	-70.31
O=C(C[NH+]1CCC1)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391573	1	50	0.0	-72.31	409.95	2.28	-70.03
C[C@H](C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12)[NH+](C)C	REAL300025391584	0	52	0.0	-72.34	417.79	2.23	-70.11
CC1C[NH+](CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]23)C1	REAL300025391591	1	53	0.0	-73.38	429.00	3.06	-70.32
C[N@H+](CCO)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391602	1	53	0.0	-74.21	428.03	-0.70	-74.91
C[N@@H+](CCO)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391602	1	53	0.0	-73.61	427.78	-0.69	-74.30
CC[N@H+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391609	0	52	0.0	-73.09	417.68	2.53	-70.56
CC[N@@H+](C)CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391609	1	52	0.0	-73.14	417.68	2.53	-70.61
C[NH+](C)CC=CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391627	0	53	0.0	-76.71	436.93	3.06	-73.65
CC[N@@H+]1CCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391633	1	53	0.0	-71.17	424.60	2.59	-68.58
CC[N@H+]1CCC1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391633	1	53	0.0	-72.90	431.21	2.83	-70.07
C[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391647	0	55	0.0	-72.97	427.32	2.92	-70.05
C[NH+](C)C1(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]23)CC1	REAL300025391670	0	53	0.0	-72.58	426.40	2.48	-70.10
CC(C[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391692	0	55	0.0	-74.82	438.12	3.09	-71.73
CC1CC[N@@H+]1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391703	1	53	0.0	-70.64	430.89	2.92	-67.72
CC1CC[N@H+]1CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025391703	1	53	0.0	-71.72	430.34	3.00	-68.72
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025391818	0	53	0.0	-68.91	420.79	2.50	-66.41
C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025391818	1	53	0.0	-70.96	422.39	2.61	-68.35
CCC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300025391892	0	55	0.0	-70.81	429.23	2.77	-68.04
CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025391896	0	55	0.0	-74.26	439.18	3.21	-71.05
CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025391896	1	55	0.0	-72.43	438.16	3.27	-69.16
CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025391913	0	55	0.0	-74.37	439.78	3.01	-71.36
CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025391913	1	55	0.0	-74.59	439.34	3.07	-71.52
CC[C@@H](C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300025391954	0	55	0.0	-71.11	430.26	2.79	-68.32
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392000	0	53	0.0	-73.13	418.17	2.31	-70.82
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392000	1	53	0.0	-69.43	419.74	2.52	-66.91
C[C@@H](C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300025392055	0	52	0.0	-70.84	415.53	2.20	-68.64
C[N@H+](CCO)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392065	1	53	0.0	-73.09	427.01	-0.70	-73.79
C[N@@H+](CCO)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392065	1	53	0.0	-74.70	427.82	-0.75	-75.45
CC1C[NH+](CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300025392081	1	53	0.0	-73.17	431.67	3.00	-70.17
CC[N@H+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392099	0	52	0.0	-73.83	417.68	2.47	-71.36
CC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392099	1	52	0.0	-72.20	416.98	2.50	-69.70
CC(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392132	0	55	0.0	-69.31	435.02	2.84	-66.47
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)CC1	REAL300025392135	0	53	0.0	-73.61	420.97	2.19	-71.42
C[C@H](C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300025392139	0	52	0.0	-72.32	416.44	2.13	-70.19
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392142	1	53	0.0	-70.40	419.68	2.45	-67.95
CC[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392142	1	53	0.0	-69.90	422.76	2.34	-67.56
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392151	0	55	0.0	-74.24	416.58	2.58	-71.66
[N-]=[N+]=NCC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NC(=O)NN3)[C@@H]2C1	REAL300025392200	0	43	0.0	-25.55	376.88	-2.59	-28.14
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392213	0	53	0.0	-70.55	421.78	2.65	-67.90
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392213	1	53	0.0	-71.50	418.27	2.24	-69.26
C[N@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)C1CC1	REAL300025392250	0	53	0.0	-71.05	429.05	3.21	-67.84
C[N@@H+](CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)C1CC1	REAL300025392250	1	53	0.0	-71.63	429.21	3.21	-68.42
C[NH+]1CC(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)C1	REAL300025392278	0	53	0.0	-75.53	431.34	2.67	-72.86
C[NH+](C)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392281	0	49	0.0	-74.58	399.78	1.80	-72.78
C[C@@H](C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+](C)C	REAL300025392284	0	52	0.0	-70.84	415.53	2.20	-68.64
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392293	1	53	0.0	-71.15	430.76	2.81	-68.34
CC1CC[N@H+]1CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392293	1	53	0.0	-70.32	424.72	2.64	-67.68
C[NH+](C)CC=CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392294	0	53	0.0	-77.58	435.98	2.98	-74.60
CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300025392300	0	55	0.0	-70.59	431.10	2.84	-67.75
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@@H]12	REAL300025392301	1	50	0.0	-74.40	410.13	2.27	-72.13
CC(C(=O)N1C[C@@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1)[NH+]1CCC1	REAL300025392324	1	53	0.0	-72.37	427.88	2.70	-69.67
NC(=[NH2+])SCC(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025392364	0	47	0.0	-75.21	408.48	-1.27	-76.48
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025392396	0	53	0.0	-66.72	426.51	2.91	-63.81
C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300025392396	1	53	0.0	-72.01	418.98	2.47	-69.54
C[N@@H+]1CCCC1C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392523	0	53	0.0	-69.75	414.62	2.80	-66.95
C[N@H+]1CCCC1C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392523	1	53	0.0	-71.42	420.92	2.45	-68.97
CCC(C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025392617	0	55	0.0	-70.40	430.58	2.96	-67.44
CCC[N@H+](C)CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392621	0	55	0.0	-73.20	437.98	3.53	-69.67
CCC[N@@H+](C)CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392621	1	55	0.0	-73.10	437.98	3.54	-69.56
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392627	0	53	0.0	-71.37	420.50	2.52	-68.85
C[N@H+]1CCC[C@@H]1C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392627	1	53	0.0	-69.52	425.47	3.04	-66.48
CC[NH+](CC)CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392630	0	55	0.0	-71.39	431.93	3.02	-68.37
CC[N@H+](C)CCC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392672	0	55	0.0	-69.50	439.65	3.28	-66.22
CC[N@@H+](C)CCC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392672	1	55	0.0	-73.92	441.21	3.24	-70.68
CC[C@@H](C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025392675	0	55	0.0	-70.38	430.58	2.96	-67.42
C[NH+](C)CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392690	0	49	0.0	-73.40	400.35	1.94	-71.46
CC(C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025392694	1	53	0.0	-70.03	428.10	2.99	-67.04
C[N@H+](CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025392701	0	53	0.0	-70.12	429.61	3.35	-66.77
C[N@@H+](CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025392701	1	53	0.0	-66.00	428.96	3.49	-62.51
C[NH+]1CC(CC(=O)NC2CCCC23CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025392706	0	53	0.0	-72.85	431.79	2.77	-70.08
C[C@@H](C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025392713	0	52	0.0	-70.84	416.92	2.53	-68.31
[N-]=[N+]=NCC(=O)NC1CCCC12CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025392716	0	43	0.0	-23.67	378.08	-2.37	-26.04
C[C@@H](C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025392732	0	52	0.0	-70.84	416.92	2.53	-68.31
C[C@H](C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025392756	0	52	0.0	-70.99	418.48	2.36	-68.63
CC1C[NH+](CC(=O)NC2CCCC23CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025392763	1	53	0.0	-72.92	429.71	3.20	-69.72
C[N@H+](CCO)CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392773	1	53	0.0	-73.20	426.83	-0.45	-73.65
C[N@@H+](CCO)CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392773	1	53	0.0	-73.23	426.59	-0.43	-73.66
CC[N@H+](C)CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392778	0	52	0.0	-72.80	416.48	2.79	-70.01
CC[N@@H+](C)CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392778	1	52	0.0	-72.70	416.48	2.79	-69.91
C[NH+](C)CC=CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392793	0	53	0.0	-75.31	437.09	3.23	-72.08
CC[N@@H+]1CCC1C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392798	1	53	0.0	-70.79	422.62	2.97	-67.82
CC[N@H+]1CCC1C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392798	1	53	0.0	-70.86	425.02	2.61	-68.25
CC(C[NH+](C)C)C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392841	0	55	0.0	-73.24	439.53	3.30	-69.94
CC1CC[N@@H+]1CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392851	1	53	0.0	-71.80	430.06	3.21	-68.59
CC1CC[N@H+]1CC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025392851	1	53	0.0	-54.16	429.97	3.49	-50.67
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025392963	0	53	0.0	-70.00	415.50	2.72	-67.28
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025392963	1	53	0.0	-72.45	417.73	2.57	-69.88
CCC(C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025393037	0	55	0.0	-69.80	431.99	3.10	-66.70
CCC[N@H+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393041	0	55	0.0	-58.78	438.16	3.78	-55.00
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393041	1	55	0.0	-58.84	438.31	3.81	-55.03
CC[N@H+](C)CCC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393058	0	55	0.0	-74.34	441.22	3.23	-71.11
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393058	1	55	0.0	-74.18	441.22	3.23	-70.95
CC[C@@H](C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025393099	0	55	0.0	-69.84	430.26	2.91	-66.93
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393145	0	53	0.0	-59.68	417.04	2.56	-57.12
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393145	1	53	0.0	-57.07	419.06	3.19	-53.88
C[C@@H](C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025393200	0	52	0.0	-58.02	415.89	2.82	-55.20
C[N@H+](CCO)CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393210	1	53	0.0	-73.38	428.44	-0.65	-74.03
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393210	1	53	0.0	-55.76	427.36	-0.12	-55.88
CC1C[NH+](CC(=O)N2CC3(C2)CCCC3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025393226	1	53	0.0	-59.59	430.22	3.46	-56.13
CC[N@H+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393244	0	52	0.0	-58.38	416.66	3.04	-55.34
CC[N@@H+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393244	1	52	0.0	-72.07	418.08	2.59	-69.48
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393277	0	55	0.0	-74.54	436.87	3.03	-71.51
C[NH+](C)C1(C(=O)N2CC3(C2)CCCC3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025393280	0	53	0.0	-77.20	416.24	2.80	-74.40
C[C@H](C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025393284	0	52	0.0	-70.18	418.48	2.31	-67.87
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393287	1	53	0.0	-63.65	426.58	3.03	-60.62
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393287	1	53	0.0	-55.76	420.98	2.89	-52.87
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393296	0	55	0.0	-73.46	422.04	3.46	-70.00
[N-]=[N+]=NCC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NC(=O)NN1	REAL300025393345	0	43	0.0	-26.65	376.52	-2.34	-28.99
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393358	0	53	0.0	-66.44	422.34	3.31	-63.13
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393358	1	53	0.0	-68.70	416.92	2.58	-66.12
C[N@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025393395	0	53	0.0	-55.88	428.20	3.77	-52.11
C[N@@H+](CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025393395	1	53	0.0	-63.96	428.97	3.47	-60.49
C[NH+]1CC(CC(=O)N2CC3(C2)CCCC3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025393423	0	53	0.0	-66.37	430.85	2.89	-63.48
C[NH+](C)CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393426	0	49	0.0	-67.12	399.56	2.06	-65.06
C[C@@H](C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025393429	0	52	0.0	-58.02	415.89	2.82	-55.20
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393438	1	53	0.0	-68.98	430.54	3.48	-65.50
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393438	1	53	0.0	-71.58	431.68	3.00	-68.58
C[NH+](C)CC=CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393439	0	53	0.0	-65.87	436.20	3.63	-62.24
CC[NH+](CC)CC(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025393445	0	55	0.0	-65.75	435.64	3.41	-62.34
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC12CN(C(=O)C[NH+]1CCC1)C2	REAL300025393446	1	50	0.0	-72.57	410.44	2.35	-70.22
CC(C(=O)N1CC2(C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025393469	1	53	0.0	-65.58	429.83	3.11	-62.47
NC(=[NH2+])SCC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025393509	0	47	0.0	-73.98	408.27	-1.11	-75.09
C[N@@H+]1CCC[C@H]1C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025393537	0	53	0.0	-59.04	424.66	3.56	-55.48
C[N@H+]1CCC[C@H]1C(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025393537	1	53	0.0	-71.83	421.17	2.59	-69.24
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C	REAL300025393714	0	49	0.0	-65.02	396.67	2.05	-62.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@H+]1C	REAL300025393714	1	49	0.0	-66.78	396.85	2.04	-64.74
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[N@H+](C)CCO1	REAL300025393738	1	50	0.0	-62.43	400.64	1.36	-61.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[N@@H+](C)CCO1	REAL300025393738	1	50	0.0	-76.20	400.53	1.30	-74.90
CC(C)[N@@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025393882	0	55	0.0	-62.36	429.29	3.18	-59.18
CC(C)[N@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025393882	1	55	0.0	-66.89	417.02	2.97	-63.92
CC1=[NH+]C=CN1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025393905	1	47	0.0	-64.66	399.80	2.66	-62.00
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[NH+]2CCC1CC2	REAL300025393925	0	53	0.0	-72.18	412.33	2.88	-69.30
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025393953	0	52	0.0	-66.86	405.79	1.96	-64.90
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025393953	1	52	0.0	-69.23	411.95	2.55	-66.68
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300025393955	0	55	0.0	-70.32	427.80	2.83	-67.49
CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300025393955	1	55	0.0	-67.75	432.08	3.36	-64.39
CC[N@@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025393960	1	53	0.0	-68.99	419.13	2.08	-66.91
CC[N@H+]1CCOC(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025393960	1	53	0.0	-77.41	419.20	2.01	-75.40
CC1CCC(C)[NH+]1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394005	0	55	0.0	-68.84	418.84	2.71	-66.13
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCC[NH+]1CCCC1	REAL300025394007	0	55	0.0	-67.53	440.21	3.52	-64.01
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[NH+]1CCCCC1	REAL300025394010	0	55	0.0	-71.27	435.27	3.52	-67.75
CC[N@@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394013	0	55	0.0	-65.20	430.84	3.40	-61.80
CC[N@H+]1CCCCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394013	1	55	0.0	-67.99	431.00	3.34	-64.65
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300025394023	0	52	0.0	-68.97	405.33	2.78	-66.19
CC(C)[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025394029	0	54	0.0	-66.82	415.74	2.63	-64.19
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300025394047	0	52	0.0	-68.91	417.30	3.15	-65.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300025394047	1	52	0.0	-69.30	417.16	3.14	-66.16
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394101	1	51	0.0	-63.23	417.01	2.82	-60.41
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394101	1	51	0.0	-67.86	423.82	3.32	-64.54
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCC1CCC[N@@H+]1C	REAL300025394106	0	55	0.0	-70.82	437.80	3.55	-67.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCC1CCC[N@H+]1C	REAL300025394106	1	55	0.0	-67.45	432.29	3.05	-64.40
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300025394122	0	52	0.0	-72.17	414.98	2.72	-69.45
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300025394149	0	52	0.0	-63.68	402.97	2.42	-61.26
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300025394149	1	52	0.0	-66.68	403.05	2.44	-64.24
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[NH+]1CCOCC1	REAL300025394202	1	53	0.0	-74.40	426.54	1.10	-73.30
CC1=C[NH+]=CN1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394214	1	47	0.0	-68.61	400.99	3.43	-65.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2	REAL300025394230	0	53	0.0	-70.61	415.75	3.00	-67.61
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300025394235	0	52	0.0	-71.52	418.38	2.67	-68.85
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300025394235	1	52	0.0	-67.65	416.21	2.62	-65.03
CCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025394241	0	51	0.0	-70.52	403.77	2.23	-68.29
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCCC[NH+](C)C	REAL300025394288	0	54	0.0	-72.44	436.63	3.23	-69.21
CC(C)C(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025394299	0	54	0.0	-70.74	420.55	3.30	-67.44
CCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394300	0	54	0.0	-72.54	432.86	3.06	-69.48
CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394300	1	54	0.0	-72.76	432.77	3.07	-69.69
CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394303	0	51	0.0	-67.21	409.61	2.41	-64.80
CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394303	1	51	0.0	-67.21	409.67	2.46	-64.75
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300025394316	0	53	0.0	-73.36	412.40	2.25	-71.11
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300025394316	1	53	0.0	-72.19	412.01	2.39	-69.80
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300025394338	0	49	0.0	-65.09	395.41	2.12	-62.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C	REAL300025394338	1	49	0.0	-68.92	390.35	1.58	-67.34
CC[NH+](CC)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394365	0	51	0.0	-66.06	406.46	2.35	-63.71
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CCC(C)CC1	REAL300025394418	0	55	0.0	-67.65	432.94	3.47	-64.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300025394436	0	52	0.0	-67.71	422.33	2.88	-64.83
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300025394482	0	52	0.0	-72.17	414.98	2.72	-69.45
CC(C)[C@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025394497	0	54	0.0	-69.72	414.73	2.67	-67.05
CCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](CC)CC	REAL300025394524	0	57	0.0	-64.75	433.79	3.13	-61.62
CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394554	0	51	0.0	-71.87	411.36	2.32	-69.55
CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394554	1	51	0.0	-71.98	411.27	2.33	-69.65
CC1CCC[N@H+]1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394577	0	52	0.0	-64.27	408.98	2.37	-61.90
CC1CCC[N@@H+]1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394577	1	52	0.0	-63.74	409.04	2.37	-61.37
CC1CC[N@H+](CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025394578	0	52	0.0	-65.93	415.72	2.67	-63.26
CC1CC[N@@H+](CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025394578	1	52	0.0	-70.49	416.45	2.83	-67.66
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025394580	0	55	0.0	-66.60	435.50	3.29	-63.31
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300025394580	1	55	0.0	-66.25	435.32	3.28	-62.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300025394581	0	57	0.0	-66.35	440.16	3.54	-62.81
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300025394581	1	57	0.0	-67.31	438.21	3.40	-63.91
CC[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025394588	0	51	0.0	-62.82	400.76	2.03	-60.79
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+](C)C	REAL300025394660	0	45	0.0	-71.28	371.23	1.10	-70.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CCCCCC1	REAL300025394663	0	55	0.0	-70.00	422.31	3.13	-66.87
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300025394666	0	47	0.0	-63.28	401.61	4.50	-58.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300025394670	0	52	0.0	-67.02	414.93	2.64	-64.38
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300025394670	1	52	0.0	-66.01	409.45	2.95	-63.06
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300025394675	0	53	0.0	-64.20	412.51	3.12	-61.08
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@H+]1C1CC1	REAL300025394675	1	53	0.0	-70.12	421.54	3.00	-67.12
CC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CCC1	REAL300025394687	1	49	0.0	-64.16	398.60	2.14	-62.02
CCC(CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C[NH+](C)C	REAL300025394691	0	57	0.0	-67.68	446.30	3.77	-63.91
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)(C)C[NH+](C)C	REAL300025394696	0	54	0.0	-64.78	416.32	2.81	-61.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CCC(O)CC1	REAL300025394707	1	53	0.0	-75.68	423.99	-0.41	-76.09
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)C1CC1	REAL300025394708	0	49	0.0	-68.41	400.56	2.48	-65.93
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300025394708	1	49	0.0	-64.70	399.58	2.39	-62.31
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1C[NH+](C)C1	REAL300025394722	0	49	0.0	-70.29	402.31	1.83	-68.46
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025394732	0	55	0.0	-66.94	432.50	2.76	-64.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300025394732	1	55	0.0	-64.63	431.73	2.70	-61.93
C[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025394742	0	48	0.0	-63.70	388.45	1.38	-62.32
C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@@H]1NC(=O)CN=[N+]=[N-]	REAL300025394749	0	39	0.0	-23.05	348.03	-3.25	-26.30
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN1C=CSC1=[NH2+]	REAL300025394791	0	45	0.0	-64.38	397.38	1.24	-63.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[N@H+](C)CCO	REAL300025394796	0	52	0.0	-72.34	421.63	-0.89	-73.23
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[N@@H+](C)CCO	REAL300025394796	1	52	0.0	-70.95	421.69	-0.93	-71.88
C[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025394797	0	48	0.0	-63.70	388.45	1.38	-62.32
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025394800	0	52	0.0	-69.19	413.11	2.68	-66.51
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300025394800	1	52	0.0	-66.74	403.07	2.47	-64.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300025394859	0	50	0.0	-73.55	410.02	2.62	-70.93
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300025394859	1	50	0.0	-69.65	409.26	2.59	-67.06
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)COCC[NH+](C)C	REAL300025394879	0	52	0.0	-68.69	426.31	2.11	-66.58
C=CCC(C)(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025394890	0	55	0.0	-62.88	426.65	3.11	-59.77
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300025394907	0	53	0.0	-77.78	419.79	-0.79	-78.57
CC1CN(CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025394924	0	49	0.0	-71.16	401.13	2.26	-68.90
CC1C[NH+](CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025394924	1	49	0.0	-71.16	401.13	2.26	-68.90
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN(C)CCO	REAL300025394941	0	49	0.0	-66.94	398.52	-1.52	-68.46
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)CCO	REAL300025394941	1	49	0.0	-67.74	398.24	-1.58	-69.32
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)CCO	REAL300025394941	1	49	0.0	-67.74	398.24	-1.58	-69.32
CC[N@@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025394960	0	55	0.0	-65.51	432.65	3.29	-62.22
CC[N@H+]1CCCC(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025394960	1	55	0.0	-65.51	432.65	3.29	-62.22
CC(CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C[NH+](C)C	REAL300025394962	0	54	0.0	-73.00	427.58	3.02	-69.98
CC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394965	0	48	0.0	-66.64	388.11	1.66	-64.98
CC[N@H+](CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)C1CC1	REAL300025394989	0	52	0.0	-65.32	411.68	2.90	-62.42
CC[NH+](CC)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025394997	0	54	0.0	-71.56	424.87	2.74	-68.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300025395027	0	53	0.0	-70.00	427.05	-0.45	-70.45
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=CC[NH+](C)C	REAL300025395030	0	49	0.0	-73.20	408.30	2.36	-70.84
COCCN(C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025395043	0	52	0.0	-68.20	420.50	0.82	-67.38
COCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025395043	1	52	0.0	-66.81	420.71	0.82	-65.99
COCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025395043	1	52	0.0	-66.81	420.71	0.82	-65.99
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1([NH+](C)C)CCCC1	REAL300025395060	0	55	0.0	-76.53	420.42	3.40	-73.13
CC(CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025395062	0	54	0.0	-74.86	424.60	2.83	-72.03
CCN1CCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025395068	0	49	0.0	-66.11	402.06	2.03	-64.08
CC[N@@H+]1CCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025395068	1	49	0.0	-70.06	402.78	2.05	-68.01
CC[N@H+]1CCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025395068	1	49	0.0	-70.06	402.78	2.05	-68.01
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CCCC1CO	REAL300025395078	0	53	0.0	-66.70	416.93	-0.35	-67.05
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1(C)CC[NH+](C)CC1	REAL300025395094	0	55	0.0	-71.87	428.48	3.18	-68.69
C=CCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025395110	0	52	0.0	-66.33	414.31	2.55	-63.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025395117	0	55	0.0	-68.88	430.12	2.74	-66.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCCCC[NH+](C)C	REAL300025395119	0	57	0.0	-71.72	458.09	4.01	-67.71
CCCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+](C)C	REAL300025395136	0	54	0.0	-71.76	425.28	2.99	-68.77
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300025395139	0	51	0.0	-68.35	398.49	2.21	-66.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300025395162	0	52	0.0	-63.68	402.97	2.42	-61.26
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300025395162	1	52	0.0	-66.68	403.05	2.44	-64.24
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1=CC[N@H+](C)CC1	REAL300025395181	0	53	0.0	-66.75	429.45	3.38	-63.37
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1=CC[N@@H+](C)CC1	REAL300025395181	1	53	0.0	-67.73	430.22	3.47	-64.26
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=CC[NH+]1CCCC1	REAL300025395211	0	53	0.0	-72.50	433.38	3.53	-68.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1([NH+](C)C)CC1	REAL300025395237	0	49	0.0	-75.79	397.25	1.71	-74.08
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[NH+]1CCCC1	REAL300025395238	0	52	0.0	-71.68	418.58	2.75	-68.93
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[NH+]2CCN1CC2	REAL300025395259	0	52	0.0	-80.07	407.55	-0.44	-80.51
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300025395263	0	50	0.0	-68.07	402.05	2.15	-65.92
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CC(C1)C[N@H+]2C	REAL300025395263	1	50	0.0	-71.58	403.61	2.18	-69.40
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300025395268	0	53	0.0	-69.11	415.10	3.04	-66.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+]1CC2CCC1C2	REAL300025395268	1	53	0.0	-67.92	415.31	3.07	-64.85
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300025395303	1	51	0.0	-65.32	409.30	2.85	-62.47
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+]1CC2C=CC1C2	REAL300025395303	1	51	0.0	-65.40	410.10	3.04	-62.36
CC(C[NH+](C)C)C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025395333	0	51	0.0	-71.91	409.58	2.39	-69.52
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CCCC[N@@H+]1C	REAL300025395372	0	55	0.0	-66.44	422.83	3.20	-63.24
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CCCC[N@H+]1C	REAL300025395372	1	55	0.0	-69.94	429.57	3.18	-66.76
CC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C)[NH+]1CC(C)C1	REAL300025395381	1	52	0.0	-68.86	418.67	2.85	-66.01
CC1CC[N@@H+]1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025395383	1	49	0.0	-65.07	396.02	1.82	-63.25
CC1CC[N@H+]1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025395383	1	49	0.0	-65.06	401.65	2.07	-62.99
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC(O)C[NH+](C)C	REAL300025395385	0	52	0.0	-71.20	423.05	0.08	-71.12
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300025395402	1	53	0.0	-80.03	422.48	1.83	-78.20
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300025395402	1	53	0.0	-73.30	429.00	2.22	-71.08
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025395440	0	52	0.0	-68.37	420.77	2.79	-65.58
CC(CC[NH+](C)C)C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300025395444	0	54	0.0	-71.65	431.22	2.96	-68.69
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN1CC[NH+](C)CC1	REAL300025395459	1	54	0.0	-69.23	430.19	0.62	-68.61
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395629	0	49	0.0	-61.79	392.41	1.89	-59.90
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395629	1	49	0.0	-62.02	392.79	1.91	-60.11
C[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395655	1	50	0.0	-74.43	403.25	1.27	-73.16
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395655	1	50	0.0	-75.46	396.34	1.16	-74.30
C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395803	1	53	0.0	-69.25	426.33	1.14	-68.11
C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395811	0	53	0.0	-60.81	407.30	2.39	-58.42
C[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395834	0	52	0.0	-69.16	417.51	2.69	-66.47
C[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395834	1	52	0.0	-68.19	417.98	2.61	-65.58
CCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025395840	0	51	0.0	-60.51	398.06	1.86	-58.65
C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395872	0	54	0.0	-67.41	435.75	3.18	-64.23
CC(C)C(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025395885	0	54	0.0	-64.38	414.74	2.58	-61.80
CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025395886	0	54	0.0	-65.78	431.97	3.00	-62.78
CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025395886	1	54	0.0	-67.61	432.66	3.09	-64.52
CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025395889	0	51	0.0	-63.79	409.63	2.41	-61.38
CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025395889	1	51	0.0	-63.63	409.62	2.40	-61.23
C[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395902	0	53	0.0	-68.41	403.64	1.89	-66.52
C[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395902	1	53	0.0	-63.73	403.26	1.77	-61.96
C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395927	0	55	0.0	-63.45	433.02	3.48	-59.97
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395964	0	52	0.0	-67.61	417.75	2.59	-65.02
CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025395981	0	51	0.0	-65.25	410.48	2.26	-62.99
CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025395981	1	51	0.0	-65.43	410.47	2.26	-63.17
C[C@@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395993	0	53	0.0	-63.20	407.08	2.55	-60.65
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396031	0	52	0.0	-69.08	410.62	2.39	-66.69
CC(C)[C@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025396046	0	54	0.0	-63.41	410.99	2.39	-61.02
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396109	0	52	0.0	-66.93	397.52	1.97	-64.96
CCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025396136	0	57	0.0	-59.22	431.48	3.16	-56.06
CC1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396145	0	52	0.0	-60.67	415.59	2.77	-57.90
CC1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396145	1	52	0.0	-61.94	417.10	2.76	-59.18
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396172	0	55	0.0	-62.33	421.08	3.24	-59.09
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396172	1	55	0.0	-60.03	421.73	3.44	-56.59
CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025396179	0	54	0.0	-58.72	414.08	2.46	-56.26
CC1CC[N@H+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025396189	0	52	0.0	-61.70	416.47	2.65	-59.05
CC1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025396189	1	52	0.0	-63.61	416.41	2.73	-60.88
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396191	0	55	0.0	-62.75	435.28	3.24	-59.51
C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396191	1	55	0.0	-63.96	436.50	3.28	-60.68
C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396192	0	57	0.0	-64.31	440.84	3.65	-60.66
C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396192	1	57	0.0	-63.53	438.23	3.40	-60.13
CC[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025396199	0	51	0.0	-59.69	398.01	1.80	-57.89
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396279	1	47	0.0	-63.18	400.61	2.67	-60.51
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025396322	1	53	0.0	-63.60	414.18	1.84	-61.76
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025396322	1	53	0.0	-67.04	421.60	1.95	-65.09
CC1=C[NH+]=CN1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396342	1	47	0.0	-64.69	400.94	3.40	-61.29
C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396347	0	52	0.0	-64.95	407.37	2.30	-62.65
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396347	1	52	0.0	-64.85	411.79	2.56	-62.29
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025396349	0	55	0.0	-65.18	428.82	2.65	-62.53
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025396349	1	55	0.0	-62.08	431.63	3.05	-59.03
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396354	0	55	0.0	-61.12	417.81	2.62	-58.50
C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396356	0	55	0.0	-65.45	440.21	3.57	-61.88
C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396360	0	55	0.0	-64.66	434.39	3.46	-61.20
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396363	0	55	0.0	-63.10	420.91	2.91	-60.19
CC[N@H+]1CCCCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396363	1	55	0.0	-58.77	416.81	2.67	-56.10
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396443	0	52	0.0	-61.70	416.52	2.97	-58.73
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396443	1	52	0.0	-63.44	417.28	3.09	-60.35
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396467	0	52	0.0	-69.08	410.62	2.39	-66.69
C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396489	0	49	0.0	-62.45	392.60	1.85	-60.60
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396489	1	49	0.0	-64.84	389.89	1.51	-63.33
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396506	1	51	0.0	-60.90	416.52	2.75	-58.15
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396506	1	51	0.0	-62.43	419.37	3.20	-59.23
C[C@@H]1CN(C(=O)CCC2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396511	0	55	0.0	-65.60	432.98	3.12	-62.48
C[C@@H]1CN(C(=O)CCC2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396511	1	55	0.0	-66.69	432.96	3.15	-63.54
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396574	0	52	0.0	-63.18	403.66	2.31	-60.87
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396574	1	52	0.0	-61.36	411.99	2.60	-58.76
CC1C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025396623	0	52	0.0	-67.02	412.06	2.54	-64.48
CC1C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025396623	1	52	0.0	-65.76	408.44	2.05	-63.71
C[C@@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396673	0	55	0.0	-59.58	430.95	2.69	-56.89
C[C@@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396673	1	55	0.0	-59.59	410.14	2.05	-57.54
C[C@@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025396686	0	48	0.0	-60.57	386.99	1.30	-59.27
C=CCC(C)(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025396698	0	55	0.0	-66.67	413.40	2.93	-63.74
C[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396710	0	52	0.0	-64.85	417.69	2.69	-62.16
C[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396718	1	49	0.0	-65.35	399.14	-1.46	-66.81
C[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396718	1	49	0.0	-64.00	398.27	-1.57	-65.57
C[C@@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396764	0	53	0.0	-67.43	430.19	3.44	-63.99
C[C@@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396764	1	53	0.0	-66.27	430.20	3.43	-62.84
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396782	0	53	0.0	-65.18	411.90	-1.45	-66.63
C[C@@H]1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396782	1	53	0.0	-69.90	406.57	-1.48	-71.38
CC1C[NH+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025396808	1	49	0.0	-65.42	401.07	2.23	-63.19
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025396814	0	55	0.0	-66.69	433.07	3.26	-63.43
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025396814	1	55	0.0	-64.86	432.52	3.21	-61.65
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396825	0	53	0.0	-57.58	421.43	2.88	-54.70
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396825	1	53	0.0	-62.73	420.17	2.82	-59.91
C[C@@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396846	0	53	0.0	-66.80	431.78	3.40	-63.40
CC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396883	0	48	0.0	-64.82	388.79	1.78	-63.04
C[C@@H]1CN(C(=O)CN2CC3C=CC2C3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396912	0	51	0.0	-60.48	409.94	2.91	-57.57
C[C@@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396912	1	51	0.0	-59.55	409.57	2.83	-56.72
C[C@@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396912	1	51	0.0	-59.55	409.57	2.83	-56.72
COCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396987	0	52	0.0	-65.47	421.19	0.94	-64.53
COCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396987	1	52	0.0	-65.30	421.39	0.95	-64.35
COCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025396987	1	52	0.0	-65.30	421.39	0.95	-64.35
CC(CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025396990	0	54	0.0	-66.53	428.35	2.86	-63.67
CC[N@H+](CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025397003	0	52	0.0	-62.31	417.27	3.07	-59.24
C[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397028	0	50	0.0	-65.71	394.70	2.27	-63.44
C[C@@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397035	0	53	0.0	-60.71	416.80	3.07	-57.64
C[C@@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397035	1	53	0.0	-60.71	416.80	3.07	-57.64
CC(C[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025397048	0	51	0.0	-67.63	409.84	2.15	-65.48
CCN1CCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025397076	0	49	0.0	-63.79	402.79	1.96	-61.83
CC[N@@H+]1CCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025397076	1	49	0.0	-60.41	393.40	1.57	-58.84
CC[N@H+]1CCC1C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025397076	1	49	0.0	-60.41	393.40	1.57	-58.84
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025397082	0	57	0.0	-62.39	432.49	1.29	-61.10
CCCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025397112	0	54	0.0	-62.80	419.24	2.75	-60.05
C[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397116	0	51	0.0	-65.60	390.40	1.55	-64.05
CC(CC[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025397129	0	54	0.0	-67.37	431.05	2.83	-64.54
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397177	0	55	0.0	-63.41	432.66	3.07	-60.34
C[C@@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397177	1	55	0.0	-61.66	432.49	3.04	-58.62
C[C@@H]1CN(C(=O)CCCCC[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397179	0	57	0.0	-67.63	457.25	3.96	-63.67
C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397186	1	54	0.0	-65.33	429.46	0.49	-64.84
C[C@@H]1CN(C(=O)C2C[N@H+](C)CC(C)O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397227	1	53	0.0	-69.72	417.83	1.61	-68.11
C[C@@H]1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397227	1	53	0.0	-71.45	417.45	1.83	-69.62
C[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397254	0	50	0.0	-64.60	406.01	2.89	-61.71
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397271	0	52	0.0	-63.18	403.66	2.31	-60.87
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397271	1	52	0.0	-61.36	411.99	2.60	-58.76
C[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397329	0	50	0.0	-68.21	407.29	2.52	-65.69
C[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397329	1	50	0.0	-67.52	408.32	2.48	-65.04
C[C@@H]1CN(C(=O)CNC2=CC=[NH+]C=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397331	0	48	0.0	-65.47	406.78	0.38	-65.09
C[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025397354	0	39	0.0	-22.93	348.03	-3.30	-26.23
C[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397381	0	55	0.0	-63.22	409.06	2.65	-60.57
CCC1C[NH+](CC(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025397388	0	52	0.0	-65.84	423.43	2.93	-62.91
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397397	0	49	0.0	-62.19	389.82	1.49	-60.70
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397397	1	49	0.0	-62.00	392.53	1.85	-60.15
C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397475	0	52	0.0	-67.29	419.60	2.66	-64.63
C[C@@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397483	0	55	0.0	-70.83	441.42	3.39	-67.44
C[C@@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397484	0	53	0.0	-61.53	417.26	3.13	-58.40
C[C@@H]1CN(C(=O)CC2CC=CC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397484	1	53	0.0	-56.92	416.51	2.97	-53.95
C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397512	0	52	0.0	-66.63	426.25	2.14	-64.49
C[C@@H]1CN(C(=O)CN2C=CSC2=[NH2+])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397536	0	45	0.0	-61.37	398.24	1.25	-60.12
C[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397592	0	52	0.0	-68.16	415.53	2.52	-65.64
C[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397592	1	52	0.0	-68.16	415.53	2.52	-65.64
C[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397593	0	55	0.0	-64.77	422.16	3.12	-61.65
C[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397596	0	47	0.0	-63.22	402.29	4.62	-58.60
C[C@@H]1CN(C(=O)CN2CCC(O)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397615	0	53	0.0	-67.19	423.27	-0.48	-67.67
C[C@@H]1CN(C(=O)C[NH+]2CCC(O)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397615	1	53	0.0	-67.19	423.27	-0.48	-67.67
C[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397616	0	49	0.0	-60.96	399.61	2.39	-58.57
CC(CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025397634	0	54	0.0	-66.21	427.68	3.04	-63.17
C[C@@H]1CN(C(=O)CC2COCCN2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397651	0	53	0.0	-64.34	414.19	0.80	-63.54
C[C@@H]1CN(C(=O)CC2COCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397651	1	53	0.0	-59.03	413.46	0.64	-58.39
C[C@@H]1CN(C(=O)CC2COCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397651	1	53	0.0	-59.03	413.46	0.64	-58.39
C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397712	0	53	0.0	-65.46	427.26	-0.50	-65.96
C[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397733	0	49	0.0	-66.90	402.24	1.87	-65.03
C[C@@H]1CN(C(=O)CC[N@H+](C)CCO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397756	0	52	0.0	-66.33	421.46	-0.88	-67.21
C[C@@H]1CN(C(=O)CC[N@@H+](C)CCO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397756	1	52	0.0	-66.33	421.46	-0.88	-67.21
C[C@@H]1CN(C(=O)CC2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397771	0	55	0.0	-58.72	422.91	3.11	-55.61
C[C@@H]1CN(C(=O)CC2CCCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397771	1	55	0.0	-58.72	422.91	3.11	-55.61
CC1CCN1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025397783	0	49	0.0	-63.03	401.77	2.08	-60.95
CC1CC[N@@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025397783	1	49	0.0	-61.16	396.13	1.78	-59.38
CC1CC[N@H+]1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025397783	1	49	0.0	-61.16	396.13	1.78	-59.38
C[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397789	0	49	0.0	-67.56	406.70	2.23	-65.33
C[C@@H]1CN(C(=O)CN2CC(C)(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397794	0	52	0.0	-64.84	421.65	2.71	-62.13
C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397794	1	52	0.0	-64.84	421.65	2.71	-62.13
C[C@@H]1CN(C(=O)C[N@@H+]2CCCC2CO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397828	0	53	0.0	-60.70	424.39	-0.58	-61.28
CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025397830	0	51	0.0	-62.47	406.81	2.35	-60.12
C[C@@H]1CN(C(=O)CN2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397839	0	46	0.0	-65.52	381.17	1.52	-64.00
C[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397839	1	46	0.0	-65.52	381.17	1.52	-64.00
CC[NH+](CC)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025397867	0	54	0.0	-64.24	428.34	2.97	-61.27
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300025397917	0	49	0.0	-59.95	399.37	1.89	-58.06
CC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025397917	1	49	0.0	-59.95	399.37	1.89	-58.06
CCC(CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025397922	0	57	0.0	-69.80	445.76	3.65	-66.15
C[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397927	0	54	0.0	-61.55	409.03	2.41	-59.14
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397956	0	52	0.0	-65.43	403.13	2.25	-63.18
C[C@@H]1CN(C(=O)CC(O)C[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397975	0	52	0.0	-70.82	423.54	0.18	-70.64
C=CCC(C(=O)N1C[C@@H](C)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025397995	0	52	0.0	-63.02	413.61	2.52	-60.50
C[C@@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025398006	0	55	0.0	-67.73	418.06	2.53	-65.20
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CSC(N)=[NH2+]	REAL300025398027	0	43	0.0	-72.45	378.99	-1.90	-74.35
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1(CC[NH+](C)C)CC1	REAL300025398050	0	55	0.0	-75.80	446.96	3.53	-72.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CC=CC[N@@H+]1C	REAL300025398051	0	53	0.0	-70.92	421.64	3.10	-67.82
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CC=CC[N@H+]1C	REAL300025398051	1	53	0.0	-70.92	421.64	3.10	-67.82
CCC1C[NH+](CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C1	REAL300025398132	1	52	0.0	-71.70	423.83	2.98	-68.72
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300025398137	1	49	0.0	-67.41	397.20	2.14	-65.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CCCCC1	REAL300025398154	0	52	0.0	-70.78	412.89	2.94	-67.84
CC1C(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@@H+]1C	REAL300025398159	0	52	0.0	-63.50	411.57	2.28	-61.22
CC1C(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)CC[N@H+]1C	REAL300025398159	1	52	0.0	-64.26	412.41	2.48	-61.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1COCC[N@@H+]1C	REAL300025398187	1	53	0.0	-67.43	413.50	0.67	-66.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1COCC[N@H+]1C	REAL300025398187	1	53	0.0	-77.15	421.82	0.92	-76.23
CCOCC(N=[N+]=[N-])C(=O)N[C@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1C	REAL300025398194	0	49	0.0	-22.72	423.06	-2.40	-25.12
C[NH+](C)CC(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025398340	0	52	0.0	-74.65	404.74	3.61	-71.04
C[C@@H](C(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025398345	0	55	0.0	-72.12	421.19	4.00	-68.12
[N-]=[N+]=NCC(=O)N1CCC2CCN(C(=O)CSC3=NC(=O)NN3)CC2C1	REAL300025398348	0	46	0.0	-25.27	381.71	-0.78	-26.05
C[C@@H](C(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025398358	0	55	0.0	-72.12	421.19	4.00	-68.12
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCN(C(=O)C[NH+]3CCC3)CC2C1	REAL300025398366	1	53	0.0	-74.60	415.03	4.07	-70.53
C[C@H](C(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025398371	0	55	0.0	-71.50	420.76	3.95	-67.55
CC[N@H+](C)CC(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025398383	0	55	0.0	-74.03	422.44	4.27	-69.76
CC[N@@H+](C)CC(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025398383	1	55	0.0	-74.04	422.44	4.26	-69.78
C[C@@H](C(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025398529	0	55	0.0	-72.12	421.19	4.00	-68.12
CC[N@H+](C)CC(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025398548	0	55	0.0	-74.03	422.44	4.27	-69.76
CC[N@@H+](C)CC(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025398548	1	55	0.0	-74.04	422.44	4.26	-69.78
C[C@H](C(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025398561	0	55	0.0	-71.50	420.76	3.95	-67.55
[N-]=[N+]=NCC(=O)N1CCC2CCN(C(=O)CSC3=NC(=O)NN3)CC2C1	REAL300025398586	0	46	0.0	-25.27	381.71	-0.78	-26.05
C[NH+](C)CC(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1	REAL300025398617	0	52	0.0	-74.65	404.74	3.61	-71.04
C[C@@H](C(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C1)[NH+](C)C	REAL300025398620	0	55	0.0	-72.12	421.19	4.00	-68.12
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCN(C(=O)C[NH+]3CCC3)CC2C1	REAL300025398627	1	53	0.0	-74.60	415.03	4.07	-70.53
C[N@@H+]1CCCC1C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025398770	0	53	0.0	-68.10	420.46	3.24	-64.86
C[N@H+]1CCCC1C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025398770	1	53	0.0	-71.84	421.12	3.37	-68.47
CCC(C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025398873	0	55	0.0	-71.58	425.08	3.30	-68.28
CCC[N@H+](C)CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025398878	0	55	0.0	-75.17	434.15	3.70	-71.47
CCC[N@@H+](C)CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025398878	1	55	0.0	-75.13	434.07	3.68	-71.45
C[N@@H+]1CCC[C@@H]1C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025398886	0	53	0.0	-74.81	414.72	2.72	-72.09
C[N@H+]1CCC[C@@H]1C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025398886	1	53	0.0	-72.29	421.26	3.21	-69.08
CC[NH+](CC)CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025398891	0	55	0.0	-73.31	426.44	3.36	-69.95
CC[N@H+](C)CCC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025398949	0	55	0.0	-76.72	434.94	3.48	-73.24
CC[N@@H+](C)CCC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025398949	1	55	0.0	-65.53	435.95	3.26	-62.27
CC[C@@H](C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025398952	0	55	0.0	-71.58	425.08	3.30	-68.28
C[NH+](C)CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025398970	0	49	0.0	-64.54	395.85	2.05	-62.49
CC(C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+]1CCC1	REAL300025398974	1	53	0.0	-73.10	425.18	3.28	-69.82
C[N@H+](CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2)C1CC1	REAL300025398981	0	53	0.0	-61.64	425.12	3.45	-58.19
C[N@@H+](CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2)C1CC1	REAL300025398981	1	53	0.0	-71.95	424.10	3.68	-68.27
C[NH+]1CC(CC(=O)NCC23CC2N(C(=O)CSC2=NNC(=O)[N-]2)CCC3)C1	REAL300025398987	0	53	0.0	-75.81	426.28	3.10	-72.71
C[C@@H](C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025398994	0	52	0.0	-73.37	413.02	2.68	-70.69
[N-]=[N+]=NCC(=O)NCC12CC1N(C(=O)CSC1=NC(=O)NN1)CCC2	REAL300025398997	0	43	0.0	-24.51	371.94	-2.25	-26.76
C[C@@H](C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025399016	0	52	0.0	-73.37	413.02	2.68	-70.69
C[C@H](C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025399045	0	52	0.0	-73.33	413.01	2.68	-70.65
CC1C[NH+](CC(=O)NCC23CC2N(C(=O)CSC2=NNC(=O)[N-]2)CCC3)C1	REAL300025399052	1	53	0.0	-75.80	425.25	3.41	-72.39
C[N@H+](CCO)CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399063	1	53	0.0	-75.60	422.92	-0.29	-75.89
C[N@@H+](CCO)CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399063	1	53	0.0	-75.49	422.77	-0.29	-75.78
CC[N@H+](C)CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399070	0	52	0.0	-74.73	412.57	2.95	-71.78
CC[N@@H+](C)CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399070	1	52	0.0	-74.75	412.57	2.94	-71.81
C[NH+](C)CC=CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399088	0	53	0.0	-79.33	432.07	3.53	-75.80
CC[N@@H+]1CCC1C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399094	1	53	0.0	-72.60	420.00	2.99	-69.61
CC[N@H+]1CCC1C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399094	1	53	0.0	-74.49	426.63	3.18	-71.31
C[NH+](C)C(C)(C)C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399108	0	55	0.0	-63.55	423.31	3.22	-60.33
C[NH+](C)C1(C(=O)NCC23CC2N(C(=O)CSC2=NNC(=O)[N-]2)CCC3)CC1	REAL300025399131	0	53	0.0	-77.67	421.37	2.85	-74.82
CC(C[NH+](C)C)C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399153	0	55	0.0	-76.26	433.24	3.54	-72.72
CC1CC[N@@H+]1CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399164	1	53	0.0	-72.82	421.01	3.08	-69.74
CC1CC[N@H+]1CC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399164	1	53	0.0	-69.47	421.13	3.13	-66.34
C[N@@H+]1CCCC1C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399279	0	53	0.0	-70.89	417.56	3.04	-67.85
C[N@H+]1CCCC1C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399279	1	53	0.0	-70.30	414.22	2.57	-67.73
CCC(C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300025399353	0	55	0.0	-70.65	422.69	3.09	-67.56
CCC[N@H+](C)CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399356	0	55	0.0	-72.47	434.93	3.43	-69.04
CCC[N@@H+](C)CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399356	1	55	0.0	-72.40	434.94	3.44	-68.96
CC[N@H+](C)CCC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399372	0	55	0.0	-76.05	434.93	3.46	-72.59
CC[N@@H+](C)CCC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399372	1	55	0.0	-76.06	434.93	3.47	-72.59
CC[C@@H](C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300025399398	0	55	0.0	-70.67	422.56	3.10	-67.57
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399435	0	53	0.0	-72.81	413.84	2.60	-70.21
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399435	1	53	0.0	-70.71	417.95	2.92	-67.79
C[C@@H](C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300025399480	0	52	0.0	-68.52	410.97	2.57	-65.95
C[N@H+](CCO)CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399490	1	53	0.0	-72.72	423.80	-0.54	-73.26
C[N@@H+](CCO)CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399490	1	53	0.0	-73.07	423.57	-0.55	-73.62
CC1C[NH+](CC(=O)N2CCCC3(CNC(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300025399506	1	53	0.0	-74.25	426.11	3.29	-70.96
CC[N@H+](C)CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399522	0	52	0.0	-72.12	413.43	2.69	-69.43
CC[N@@H+](C)CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399522	1	52	0.0	-72.09	413.44	2.70	-69.39
CC(C[NH+](C)C)C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399549	0	55	0.0	-67.14	432.73	3.31	-63.83
C[C@H](C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300025399553	0	52	0.0	-71.60	409.85	2.55	-69.05
CC[N@@H+]1CCC1C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399556	1	53	0.0	-70.97	418.26	2.82	-68.15
CC[N@H+]1CCC1C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399556	1	53	0.0	-73.00	429.18	2.93	-70.07
[N-]=[N+]=NCC(=O)N1CCCC2(CNC(=O)CSC3=NC(=O)NN3)CC12	REAL300025399606	0	43	0.0	-25.05	371.81	-2.19	-27.24
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399615	0	53	0.0	-69.19	420.78	2.92	-66.27
C[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399615	1	53	0.0	-71.77	413.44	2.61	-69.16
C[N@H+](CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12)C1CC1	REAL300025399645	0	53	0.0	-70.64	424.10	3.60	-67.04
C[N@@H+](CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12)C1CC1	REAL300025399645	1	53	0.0	-71.44	424.24	3.61	-67.83
C[NH+]1CC(CC(=O)N2CCCC3(CNC(=O)CSC4=NNC(=O)[N-]4)CC23)C1	REAL300025399669	0	53	0.0	-75.50	426.28	3.06	-72.44
C[NH+](C)CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399672	0	49	0.0	-74.39	394.91	2.19	-72.20
C[C@@H](C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+](C)C	REAL300025399675	0	52	0.0	-68.52	410.97	2.57	-65.95
CC1CC[N@@H+]1CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399682	1	53	0.0	-71.63	420.58	3.03	-68.60
CC1CC[N@H+]1CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399682	1	53	0.0	-72.49	429.32	3.03	-69.46
C[NH+](C)CC=CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399683	0	53	0.0	-74.89	429.95	3.43	-71.46
CC[NH+](CC)CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12	REAL300025399689	0	55	0.0	-71.90	430.69	3.53	-68.37
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1N(C(=O)C[NH+]1CCC1)CCC2	REAL300025399690	1	50	0.0	-74.18	404.94	2.61	-71.57
CC(C(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC12)[NH+]1CCC1	REAL300025399708	1	53	0.0	-68.03	413.93	2.68	-65.35
NC(=[NH2+])SCC(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399739	0	47	0.0	-77.33	402.76	-0.77	-78.10
C[N@@H+]1CCC[C@H]1C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399771	0	53	0.0	-71.55	420.64	3.11	-68.44
C[N@H+]1CCC[C@H]1C(=O)NCC12CC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025399771	1	53	0.0	-74.22	415.09	2.70	-71.52
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@@H+]1C	REAL300025399953	0	49	0.0	-63.72	396.68	2.12	-61.60
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@H+]1C	REAL300025399953	1	49	0.0	-63.05	390.33	1.54	-61.51
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[N@H+](C)CCO1	REAL300025399977	1	50	0.0	-72.92	407.77	1.50	-71.42
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[N@@H+](C)CCO1	REAL300025399977	1	50	0.0	-79.07	407.73	1.46	-77.61
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400121	0	55	0.0	-63.04	429.20	3.11	-59.93
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400121	1	55	0.0	-62.01	428.70	3.06	-58.95
CC1=[NH+]C=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400144	1	47	0.0	-62.84	399.77	2.68	-60.16
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[NH+]2CCC1CC2	REAL300025400164	0	53	0.0	-65.82	411.64	2.80	-63.02
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC[N@@H+]1C	REAL300025400192	0	52	0.0	-73.36	408.75	2.30	-71.06
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC[N@H+]1C	REAL300025400192	1	52	0.0	-72.56	413.27	2.59	-69.97
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC[N@@H+]1C	REAL300025400194	0	55	0.0	-70.18	426.99	2.72	-67.46
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC[N@H+]1C	REAL300025400194	1	55	0.0	-71.34	432.22	3.29	-68.05
CC[N@@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025400199	1	53	0.0	-77.15	426.27	2.20	-74.95
CC[N@H+]1CCOC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025400199	1	53	0.0	-77.61	425.46	2.09	-75.52
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400244	0	55	0.0	-69.19	418.81	2.70	-66.49
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCC[NH+]1CCCC1	REAL300025400246	0	55	0.0	-67.37	440.21	3.60	-63.77
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[NH+]1CCCCC1	REAL300025400249	0	55	0.0	-71.43	434.75	3.51	-67.92
CC[N@@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400252	0	55	0.0	-68.06	431.00	3.31	-64.75
CC[N@H+]1CCCCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400252	1	55	0.0	-68.33	421.59	3.16	-65.17
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300025400262	0	52	0.0	-67.75	404.49	2.52	-65.23
CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025400268	0	54	0.0	-69.72	415.45	2.62	-67.10
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300025400286	0	52	0.0	-69.49	417.45	3.09	-66.40
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300025400286	1	52	0.0	-68.56	417.30	3.06	-65.50
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400340	1	51	0.0	-66.61	417.02	2.80	-63.81
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400340	1	51	0.0	-66.46	421.66	3.26	-63.20
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCC1CCC[N@@H+]1C	REAL300025400345	0	55	0.0	-70.30	433.12	3.12	-67.18
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCC1CCC[N@H+]1C	REAL300025400345	1	55	0.0	-65.98	432.27	3.09	-62.89
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	REAL300025400361	0	52	0.0	-73.05	415.82	2.76	-70.29
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300025400388	0	52	0.0	-66.69	402.99	2.45	-64.24
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@H+]1C	REAL300025400388	1	52	0.0	-69.14	413.04	2.70	-66.44
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[NH+]1CCOCC1	REAL300025400441	1	53	0.0	-71.23	425.57	0.99	-70.24
CC1=C[NH+]=CN1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400453	1	47	0.0	-70.82	400.94	3.43	-67.39
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2	REAL300025400469	0	53	0.0	-69.70	413.16	2.81	-66.89
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300025400474	0	52	0.0	-71.65	417.52	2.71	-68.94
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300025400474	1	52	0.0	-69.91	416.61	2.58	-67.33
CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025400480	0	51	0.0	-67.06	401.71	2.10	-64.96
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCCC[NH+](C)C	REAL300025400527	0	54	0.0	-69.45	435.75	3.21	-66.24
CC(C)C(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025400538	0	54	0.0	-63.30	415.78	3.14	-60.16
CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400539	0	54	0.0	-69.01	431.99	3.01	-66.00
CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400539	1	54	0.0	-68.75	431.94	3.02	-65.73
CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400542	0	51	0.0	-71.02	410.43	2.48	-68.54
CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400542	1	51	0.0	-71.15	410.43	2.48	-68.67
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CC[N@H+](C1)CCC2	REAL300025400555	0	53	0.0	-68.73	412.84	2.31	-66.42
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300025400555	1	53	0.0	-73.34	411.88	2.26	-71.08
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300025400577	0	49	0.0	-67.24	397.49	2.13	-65.11
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C	REAL300025400577	1	49	0.0	-68.03	391.20	1.65	-66.38
CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400604	0	51	0.0	-68.83	407.14	2.47	-66.36
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1	REAL300025400657	0	55	0.0	-67.51	432.92	3.55	-63.96
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300025400675	0	52	0.0	-74.16	423.71	2.88	-71.28
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[NH+](C)CC1	REAL300025400721	0	52	0.0	-73.05	415.82	2.76	-70.29
CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025400736	0	54	0.0	-67.83	417.84	3.24	-64.59
CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](CC)CC	REAL300025400763	0	57	0.0	-64.30	437.03	3.45	-60.85
CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400793	0	51	0.0	-71.97	411.17	2.36	-69.61
CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400793	1	51	0.0	-68.08	410.44	2.28	-65.80
CC1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400816	0	52	0.0	-63.92	409.05	2.42	-61.50
CC1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025400816	1	52	0.0	-67.86	409.77	2.46	-65.40
CC1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025400817	0	52	0.0	-66.81	416.53	2.78	-64.03
CC1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025400817	1	52	0.0	-70.54	416.37	2.83	-67.71
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025400819	0	55	0.0	-70.72	436.74	3.37	-67.35
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300025400819	1	55	0.0	-70.44	436.11	3.36	-67.08
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300025400820	0	57	0.0	-71.14	440.98	3.63	-67.51
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300025400820	1	57	0.0	-66.77	438.14	3.40	-63.37
CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025400827	0	51	0.0	-70.59	404.82	2.28	-68.31
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+](C)C	REAL300025400899	0	45	0.0	-67.59	370.34	1.06	-66.53
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CCCCCC1	REAL300025400902	0	55	0.0	-67.94	421.50	3.07	-64.87
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300025400905	0	47	0.0	-65.90	401.58	4.52	-61.38
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300025400909	0	52	0.0	-71.44	415.77	2.70	-68.74
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300025400909	1	52	0.0	-66.96	414.93	2.65	-64.31
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300025400914	0	53	0.0	-65.72	428.50	3.67	-62.05
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCC[N@H+]1C1CC1	REAL300025400914	1	53	0.0	-62.58	422.71	3.39	-59.19
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+]1CCC1	REAL300025400926	1	49	0.0	-64.00	398.14	2.09	-61.91
CCC(CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)C[NH+](C)C	REAL300025400930	0	57	0.0	-64.18	446.43	3.69	-60.49
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C(C)(C)C[NH+](C)C	REAL300025400935	0	54	0.0	-72.54	420.32	2.92	-69.62
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CCC(O)CC1	REAL300025400946	1	53	0.0	-71.53	423.16	-0.42	-71.95
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)C1CC1	REAL300025400947	0	49	0.0	-68.97	400.63	2.52	-66.45
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300025400947	1	49	0.0	-67.97	400.47	2.51	-65.46
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1C[NH+](C)C1	REAL300025400961	0	49	0.0	-69.30	401.84	1.88	-67.42
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025400971	0	55	0.0	-67.17	416.98	2.21	-64.96
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300025400971	1	55	0.0	-62.98	431.69	2.77	-60.21
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025400981	0	48	0.0	-70.26	389.17	1.50	-68.76
C[C@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1NC(=O)CN=[N+]=[N-]	REAL300025400988	0	39	0.0	-22.97	347.28	-3.42	-26.39
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1C=CSC1=[NH2+]	REAL300025401030	0	45	0.0	-65.71	398.28	1.29	-64.42
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[N@H+](C)CCO	REAL300025401035	0	52	0.0	-67.31	420.79	-0.94	-68.25
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[N@@H+](C)CCO	REAL300025401035	1	52	0.0	-71.79	421.59	-0.90	-72.69
C[C@@H](C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025401036	0	48	0.0	-70.26	389.17	1.50	-68.76
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025401039	0	52	0.0	-65.97	413.17	2.68	-63.29
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300025401039	1	52	0.0	-63.93	402.99	2.49	-61.44
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300025401098	0	50	0.0	-73.37	409.15	2.66	-70.71
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300025401098	1	50	0.0	-70.13	408.24	2.56	-67.57
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)COCC[NH+](C)C	REAL300025401118	0	52	0.0	-68.94	427.04	2.14	-66.80
C=CCC(C)(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025401129	0	55	0.0	-68.88	426.02	3.25	-65.63
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300025401146	0	53	0.0	-67.73	420.41	-0.77	-68.50
CC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025401163	1	49	0.0	-71.06	402.50	2.20	-68.86
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+](C)CCO	REAL300025401180	1	49	0.0	-72.13	399.28	-1.49	-73.62
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+](C)CCO	REAL300025401180	1	49	0.0	-70.76	399.08	-1.49	-72.25
CC[N@@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025401199	0	55	0.0	-69.06	433.41	3.36	-65.70
CC[N@H+]1CCCC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025401199	1	55	0.0	-65.39	427.17	3.60	-61.79
CC(CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)C[NH+](C)C	REAL300025401201	0	54	0.0	-71.39	428.35	3.08	-68.31
CC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025401204	0	48	0.0	-70.63	388.93	1.74	-68.89
CC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025401204	1	48	0.0	-66.83	388.03	1.67	-65.16
CC[N@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)C1CC1	REAL300025401228	0	52	0.0	-67.25	419.95	3.13	-64.12
CC[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)C1CC1	REAL300025401228	1	52	0.0	-64.37	416.42	3.08	-61.29
CC[NH+](CC)CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025401236	0	54	0.0	-71.18	424.80	2.75	-68.43
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=C1CC[NH+](C)CC1	REAL300025401243	0	53	0.0	-69.63	424.62	3.43	-66.20
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(O)C1	REAL300025401266	0	53	0.0	-70.01	427.10	-0.50	-70.51
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(O)C1	REAL300025401266	1	53	0.0	-70.57	427.15	-0.51	-71.08
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=CC[NH+](C)C	REAL300025401269	0	49	0.0	-74.91	408.47	2.33	-72.58
COCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025401282	1	52	0.0	-70.33	421.33	0.92	-69.41
COCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025401282	1	52	0.0	-72.46	421.53	0.91	-71.55
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1([NH+](C)C)CCCC1	REAL300025401299	0	55	0.0	-76.36	420.50	3.40	-72.96
CC(CCC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025401301	0	54	0.0	-67.40	423.73	2.80	-64.60
CC[N@@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025401307	1	49	0.0	-66.27	401.97	2.04	-64.23
CC[N@H+]1CCC1C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025401307	1	49	0.0	-70.00	402.86	2.09	-67.91
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CCCC1CO	REAL300025401317	0	53	0.0	-66.84	417.03	-0.37	-67.21
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CCCC1CO	REAL300025401317	1	53	0.0	-66.81	419.96	-0.92	-67.73
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(C)CC[NH+](C)CC1	REAL300025401333	0	55	0.0	-62.61	428.38	3.18	-59.43
C=CCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025401349	0	52	0.0	-68.88	414.87	2.60	-66.28
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025401356	0	55	0.0	-71.83	431.61	2.71	-69.12
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CC(C)(C)C[N@H+]1C	REAL300025401356	1	55	0.0	-62.78	430.19	2.70	-60.08
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CCCCC[NH+](C)C	REAL300025401358	0	57	0.0	-69.15	457.25	3.98	-65.17
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300025401363	0	50	0.0	-67.29	405.86	2.91	-64.38
CCCC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+](C)C	REAL300025401375	0	54	0.0	-67.68	423.10	2.90	-64.78
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300025401378	0	51	0.0	-74.92	397.60	2.26	-72.66
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300025401401	0	52	0.0	-66.69	402.99	2.45	-64.24
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1CCCC[N@H+]1C	REAL300025401401	1	52	0.0	-69.14	413.04	2.70	-66.44
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1=CC[N@H+](C)CC1	REAL300025401420	0	53	0.0	-67.06	429.53	3.39	-63.67
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1=CC[N@@H+](C)CC1	REAL300025401420	1	53	0.0	-65.70	429.52	3.40	-62.30
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C=CC[NH+]1CCCC1	REAL300025401450	0	53	0.0	-70.17	431.31	3.40	-66.77
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1([NH+](C)C)CC1	REAL300025401476	0	49	0.0	-67.22	393.74	2.77	-64.45
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC[NH+]1CCCC1	REAL300025401477	0	52	0.0	-71.52	418.51	2.77	-68.75
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[NH+]2CCN1CC2	REAL300025401498	0	52	0.0	-66.90	406.64	-0.47	-67.37
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300025401502	0	50	0.0	-74.59	402.68	2.14	-72.45
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C12CC(C1)C[N@H+]2C	REAL300025401502	1	50	0.0	-72.23	402.72	2.21	-70.02
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CC2CCC1C2	REAL300025401507	0	53	0.0	-67.76	415.28	3.00	-64.76
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CC2CCC1C2	REAL300025401507	1	53	0.0	-65.73	414.45	2.90	-62.83
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@@H+]1CC2C=CC1C2	REAL300025401542	1	51	0.0	-62.83	409.20	2.86	-59.97
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C[N@H+]1CC2C=CC1C2	REAL300025401542	1	51	0.0	-69.44	410.45	3.06	-66.38
CC(C[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025401572	0	51	0.0	-67.50	408.73	2.33	-65.17
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CCCC[N@@H+]1C	REAL300025401611	0	55	0.0	-58.58	422.09	3.08	-55.50
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CCCC[N@H+]1C	REAL300025401611	1	55	0.0	-72.29	430.43	3.27	-69.02
CC(C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C)[NH+]1CC(C)C1	REAL300025401620	1	52	0.0	-65.74	418.28	2.78	-62.96
CC1CC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025401622	1	49	0.0	-65.23	401.73	2.13	-63.10
CC1CC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025401622	1	49	0.0	-68.80	396.83	1.93	-66.87
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC(O)C[NH+](C)C	REAL300025401624	0	52	0.0	-74.59	423.87	0.07	-74.52
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300025401641	1	53	0.0	-84.05	422.55	1.86	-82.19
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300025401641	1	53	0.0	-74.22	421.59	1.76	-72.46
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025401679	0	52	0.0	-63.94	419.87	2.78	-61.16
CC(CC[NH+](C)C)C(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300025401683	0	54	0.0	-68.76	430.40	2.90	-65.86
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1CC[NH+](C)CC1	REAL300025401698	1	54	0.0	-68.84	429.32	0.49	-68.35
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025401868	0	49	0.0	-62.04	392.61	1.85	-60.19
C[C@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025401868	1	49	0.0	-62.44	392.60	1.85	-60.59
C[C@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025401894	1	50	0.0	-87.77	403.87	1.34	-86.43
C[C@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025401894	1	50	0.0	-64.40	396.56	1.13	-63.27
C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402042	1	53	0.0	-69.04	426.47	1.06	-67.98
C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402050	0	53	0.0	-58.52	407.82	2.33	-56.19
C[C@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402073	0	52	0.0	-65.29	416.68	2.60	-62.69
C[C@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402073	1	52	0.0	-66.36	417.06	2.64	-63.72
CCC(C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025402079	0	51	0.0	-63.88	400.18	2.09	-61.79
C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402111	0	54	0.0	-68.59	436.58	3.19	-65.40
CC(C)C(C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025402124	0	54	0.0	-61.59	408.98	2.34	-59.25
CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402125	0	54	0.0	-66.08	431.93	3.00	-63.08
CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402125	1	54	0.0	-66.93	432.80	3.01	-63.92
CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402128	0	51	0.0	-63.60	409.65	2.41	-61.19
CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402128	1	51	0.0	-63.82	409.63	2.41	-61.41
C[C@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402141	0	53	0.0	-69.61	402.43	1.81	-67.80
C[C@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402141	1	53	0.0	-75.83	403.70	1.81	-74.02
C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402166	0	55	0.0	-64.32	433.77	3.50	-60.82
C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402203	0	52	0.0	-67.04	418.74	2.51	-64.53
CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402220	0	51	0.0	-65.47	410.43	2.25	-63.22
CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402220	1	51	0.0	-66.63	411.31	2.29	-64.34
C[C@H]1CN(C(=O)C2C[NH+]3CCC2CC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402232	0	53	0.0	-71.15	407.89	2.58	-68.57
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402270	0	52	0.0	-78.59	415.40	2.56	-76.03
CC(C)[C@H](C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025402285	0	54	0.0	-61.03	414.31	2.71	-58.32
C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402348	0	52	0.0	-60.06	397.49	2.24	-57.82
CCC(C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025402375	0	57	0.0	-60.55	430.75	3.09	-57.46
CC1CCC[N@H+]1CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402384	0	52	0.0	-59.92	415.23	2.61	-57.31
CC1CCC[N@@H+]1CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402384	1	52	0.0	-60.70	415.76	2.79	-57.91
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402411	0	55	0.0	-58.59	420.52	3.27	-55.32
CC(C)[N@H+]1CCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402411	1	55	0.0	-62.34	421.14	3.24	-59.10
CC(C)[C@@H](C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025402418	0	54	0.0	-64.13	414.48	2.52	-61.61
CC1CC[N@H+](CC(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025402428	0	52	0.0	-62.99	416.63	2.66	-60.33
CC1CC[N@@H+](CC(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025402428	1	52	0.0	-61.48	415.64	2.61	-58.87
C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402430	0	55	0.0	-63.94	436.09	3.30	-60.64
C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402430	1	55	0.0	-61.72	435.72	3.17	-58.55
C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402431	0	57	0.0	-63.51	440.12	3.57	-59.94
C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402431	1	57	0.0	-62.86	440.05	3.48	-59.38
CC[C@@H](C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025402438	0	51	0.0	-63.35	398.81	1.92	-61.43
CC1=[NH+]C=CN1CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402518	1	47	0.0	-62.60	400.59	2.66	-59.94
CC[N@@H+]1CCOC(C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025402561	1	53	0.0	-69.09	421.73	1.99	-67.10
CC[N@H+]1CCOC(C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025402561	1	53	0.0	-72.42	421.33	1.98	-70.44
CC1=C[NH+]=CN1CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402581	1	47	0.0	-64.94	400.10	3.35	-61.59
C[C@@H]1[C@H](C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025402586	0	52	0.0	-67.10	406.49	2.32	-64.78
C[C@@H]1[C@H](C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025402586	1	52	0.0	-66.94	412.12	2.22	-64.72
CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025402588	0	55	0.0	-67.63	423.18	2.56	-65.07
CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025402588	1	55	0.0	-65.91	426.97	3.01	-62.90
CC1CCC(C)[NH+]1CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402593	0	55	0.0	-59.73	427.45	2.90	-56.83
C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402595	0	55	0.0	-65.35	439.70	3.57	-61.78
C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402599	0	55	0.0	-64.83	434.34	3.48	-61.35
CC[N@@H+]1CCCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402602	0	55	0.0	-59.97	428.83	3.11	-56.86
CC[N@H+]1CCCCC1C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402602	1	55	0.0	-62.49	420.51	2.92	-59.57
C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402682	0	52	0.0	-63.36	417.34	3.03	-60.33
C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402682	1	52	0.0	-62.73	417.42	3.03	-59.70
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402706	0	52	0.0	-78.59	415.40	2.56	-76.03
C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402728	0	49	0.0	-61.00	394.07	1.89	-59.11
C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402728	1	49	0.0	-62.84	389.88	1.54	-61.30
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402745	1	51	0.0	-61.82	415.56	2.73	-59.09
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025402745	1	51	0.0	-61.96	418.40	3.12	-58.84
C[C@H]1CN(C(=O)CCC2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402750	0	55	0.0	-65.45	432.28	3.07	-62.38
C[C@H]1CN(C(=O)CCC2CCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402750	1	55	0.0	-67.88	438.59	3.55	-64.33
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402813	0	52	0.0	-59.37	410.88	2.55	-56.82
C[C@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402813	1	52	0.0	-62.82	410.06	2.50	-60.32
CC1C(C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025402862	0	52	0.0	-66.85	406.27	1.95	-64.90
CC1C(C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025402862	1	52	0.0	-64.68	412.20	2.27	-62.41
C[C@H]1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402912	0	55	0.0	-60.72	415.12	2.11	-58.61
C[C@H]1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402912	1	55	0.0	-62.38	410.57	2.16	-60.22
C[C@@H](C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025402925	0	48	0.0	-63.79	386.21	1.31	-62.48
C=CCC(C)(C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025402937	0	55	0.0	-60.45	416.81	2.63	-57.82
C[C@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402949	0	52	0.0	-64.82	417.71	2.68	-62.14
C[C@H]1CN(C(=O)C[N@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402957	1	49	0.0	-64.89	398.49	-1.57	-66.46
C[C@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402957	1	49	0.0	-63.42	398.30	-1.57	-64.99
C[C@H]1CN(C(=O)CC2=CC[N@H+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403003	0	53	0.0	-67.51	430.35	3.41	-64.10
C[C@H]1CN(C(=O)CC2=CC[N@@H+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403003	1	53	0.0	-65.01	429.46	3.36	-61.65
C[C@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403021	0	53	0.0	-70.85	409.42	-1.21	-72.06
C[C@H]1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403021	1	53	0.0	-62.93	410.47	-1.60	-64.53
CC1C[NH+](CC(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025403047	1	49	0.0	-64.53	401.48	2.21	-62.32
CC[N@@H+]1CCCC(C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025403053	0	55	0.0	-63.21	428.24	2.99	-60.22
CC[N@H+]1CCCC(C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025403053	1	55	0.0	-65.30	432.42	3.17	-62.13
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403064	0	53	0.0	-62.21	421.22	2.90	-59.31
C[C@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403064	1	53	0.0	-59.71	422.34	3.25	-56.46
C[C@H]1CN(C(=O)C=CC[NH+]2CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403085	0	53	0.0	-67.57	430.97	3.38	-64.19
CC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025403122	0	48	0.0	-63.48	388.13	1.66	-61.82
C[C@H]1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403151	1	51	0.0	-62.28	410.56	3.00	-59.28
C[C@H]1CN(C(=O)C[N@H+]2CC3C=CC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403151	1	51	0.0	-61.57	409.27	2.87	-58.70
C[C@H]1CN(C(=O)C2C[NH+]3CCN2CC3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403195	0	52	0.0	-71.68	403.64	-0.90	-72.58
COCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025403226	1	52	0.0	-63.02	420.55	0.83	-62.19
COCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025403226	1	52	0.0	-64.89	420.74	0.83	-64.06
CC(CCC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025403229	0	54	0.0	-64.60	423.71	2.79	-61.81
C[C@H]1CN(C(=O)C=C2CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403237	0	53	0.0	-68.20	424.00	3.27	-64.93
CC[N@H+](CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025403242	0	52	0.0	-61.57	420.37	3.12	-58.45
CC[N@@H+](CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025403242	1	52	0.0	-62.29	417.26	3.08	-59.21
C[C@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403267	0	50	0.0	-64.72	392.33	2.21	-62.51
C[C@H]1CN(C(=O)C23CC(C2)C[N@H+]3C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403267	1	50	0.0	-62.96	392.61	2.28	-60.68
C[C@H]1CN(C(=O)C[N@@H+]2CC3CCC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403274	0	53	0.0	-62.59	417.71	3.16	-59.43
C[C@H]1CN(C(=O)C[N@H+]2CC3CCC2C3)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403274	1	53	0.0	-61.27	417.06	3.07	-58.20
CC(C[NH+](C)C)C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025403287	0	51	0.0	-67.70	409.29	2.16	-65.54
C[C@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403295	0	49	0.0	-66.07	392.86	1.48	-64.59
C[C@H](C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025403311	0	48	0.0	-61.50	387.07	1.37	-60.13
CC[N@@H+]1CCC1C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025403315	1	49	0.0	-62.15	394.82	1.74	-60.41
CC[N@H+]1CCC1C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025403315	1	49	0.0	-62.50	392.28	1.51	-60.99
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025403321	0	57	0.0	-61.72	431.51	1.65	-60.07
C[C@H]1CN(C(=O)C2=C[NH+]=CC=C2N)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403344	0	45	0.0	-63.34	377.89	-1.15	-64.49
CCCC(C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025403351	0	54	0.0	-62.79	422.26	2.80	-59.99
C[C@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403355	0	51	0.0	-64.77	389.30	1.83	-62.94
CC(CC[NH+](C)C)C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025403368	0	54	0.0	-69.71	431.73	2.80	-66.91
C[C@H]1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403416	0	55	0.0	-59.49	433.18	2.96	-56.53
C[C@H]1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403416	1	55	0.0	-62.88	428.11	2.78	-60.10
C[C@H]1CN(C(=O)CCCCC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403418	0	57	0.0	-68.76	458.07	3.97	-64.79
C[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403425	1	54	0.0	-66.68	429.32	0.44	-66.24
C[C@H]1CN(C(=O)C2C[N@H+](C)CC(C)O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403466	1	53	0.0	-75.64	417.57	1.83	-73.81
C[C@H]1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403466	1	53	0.0	-67.23	417.75	1.61	-65.62
C[C@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403493	0	50	0.0	-63.16	406.04	2.88	-60.28
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403510	0	52	0.0	-59.37	410.88	2.55	-56.82
C[C@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403510	1	52	0.0	-62.82	410.06	2.50	-60.32
C[C@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403568	0	50	0.0	-70.10	409.32	2.58	-67.52
C[C@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403568	1	50	0.0	-68.35	408.26	2.48	-65.87
C[C@H]1CN(C(=O)CNC2=CC=[NH+]C=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403570	0	48	0.0	-64.03	406.14	0.26	-63.77
C[C@H]1CN(C(=O)CN=[N+]=[N-])C[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025403593	0	39	0.0	-22.95	348.21	-3.37	-26.32
C[C@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403620	0	55	0.0	-60.45	409.12	3.01	-57.44
CCC1C[NH+](CC(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025403627	0	52	0.0	-66.03	423.62	2.87	-63.16
C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403636	0	49	0.0	-64.70	389.79	1.49	-63.21
C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403636	1	49	0.0	-62.30	392.75	1.80	-60.50
C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403714	0	52	0.0	-65.73	420.77	2.82	-62.91
C[C@H]1CN(C(=O)C2(CC[NH+](C)C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403722	0	55	0.0	-71.73	441.83	3.39	-68.34
C[C@H]1CN(C(=O)CC2CC=CC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403723	0	53	0.0	-57.82	416.64	3.05	-54.77
C[C@H]1CN(C(=O)CC2CC=CC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403723	1	53	0.0	-66.79	422.26	3.13	-63.66
C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403751	0	52	0.0	-66.27	427.08	2.17	-64.10
C[C@H]1CN(C(=O)CN2C=CSC2=[NH2+])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403775	0	45	0.0	-62.54	398.26	1.25	-61.29
C[C@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403831	0	52	0.0	-65.90	414.90	2.51	-63.39
C[C@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403831	1	52	0.0	-65.90	414.90	2.51	-63.39
C[C@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403832	0	55	0.0	-63.90	422.28	3.13	-60.77
C[C@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403835	0	47	0.0	-63.70	402.43	4.54	-59.16
C[C@H]1CN(C(=O)CN2CCC(O)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403854	0	53	0.0	-65.97	423.13	-0.55	-66.52
C[C@H]1CN(C(=O)C[NH+]2CCC(O)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403854	1	53	0.0	-65.97	423.13	-0.55	-66.52
C[C@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403855	0	49	0.0	-60.97	399.59	2.42	-58.55
CC(CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025403873	0	54	0.0	-67.55	428.50	3.06	-64.49
C[C@H]1CN(C(=O)CC2COCCN2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403890	0	53	0.0	-61.44	414.31	0.72	-60.72
C[C@H]1CN(C(=O)CC2COCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403890	1	53	0.0	-70.25	421.68	0.95	-69.30
C[C@H]1CN(C(=O)CC2COCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403890	1	53	0.0	-70.25	421.68	0.95	-69.30
C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(O)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403951	0	53	0.0	-63.56	426.46	-0.57	-64.13
C[C@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403972	0	49	0.0	-64.95	401.52	1.79	-63.16
C[C@H]1CN(C(=O)CC[N@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403995	0	52	0.0	-66.79	421.64	-0.95	-67.74
C[C@H]1CN(C(=O)CC[N@@H+](C)CCO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403995	1	52	0.0	-66.79	421.64	-0.95	-67.74
C[C@H]1CN(C(=O)CC2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404010	0	55	0.0	-66.90	430.30	3.30	-63.60
C[C@H]1CN(C(=O)CC2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404010	1	55	0.0	-66.90	430.30	3.30	-63.60
CC1CCN1CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025404022	0	49	0.0	-62.49	397.56	1.91	-60.58
CC1CC[N@@H+]1CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025404022	1	49	0.0	-62.95	401.68	2.09	-60.86
CC1CC[N@H+]1CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025404022	1	49	0.0	-62.95	401.68	2.09	-60.86
C[C@H]1CN(C(=O)C=CC[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404028	0	49	0.0	-69.34	405.36	2.20	-67.14
C[C@H]1CN(C(=O)CN2CC(C)(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404033	0	52	0.0	-64.38	421.76	2.65	-61.73
C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404033	1	52	0.0	-64.38	421.76	2.65	-61.73
C[C@H]1CN(C(=O)C[N@@H+]2CCCC2CO)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404067	0	53	0.0	-62.27	417.07	-0.42	-62.69
CC[NH+](CC)CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025404069	0	51	0.0	-62.26	401.97	2.08	-60.18
C[C@H]1CN(C(=O)CN2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404078	0	46	0.0	-64.63	381.28	1.46	-63.17
C[C@H]1CN(C(=O)C[NH+]2CCC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404078	1	46	0.0	-64.63	381.28	1.46	-63.17
CC[NH+](CC)CCC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025404106	0	54	0.0	-64.38	428.27	2.96	-61.42
CC(C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025404156	1	49	0.0	-61.80	398.65	1.80	-60.00
CCC(CC(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025404161	0	57	0.0	-66.13	445.42	3.66	-62.47
C[C@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404166	0	54	0.0	-68.68	410.01	2.73	-65.95
C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404195	0	52	0.0	-58.37	410.81	2.49	-55.88
C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404195	1	52	0.0	-62.94	403.51	2.30	-60.64
C[C@H]1CN(C(=O)CC(O)C[NH+](C)C)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404214	0	52	0.0	-70.48	423.82	0.11	-70.37
C=CCC(C(=O)N1C[C@H](C)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025404234	0	52	0.0	-62.36	411.42	2.37	-59.99
C[C@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404245	0	55	0.0	-59.81	418.19	2.47	-57.34
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CSC(N)=[NH2+]	REAL300025404266	0	43	0.0	-72.45	379.09	-1.97	-74.42
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1(CC[NH+](C)C)CC1	REAL300025404289	0	55	0.0	-70.59	444.49	3.64	-66.95
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC=CC[N@@H+]1C	REAL300025404290	0	53	0.0	-63.13	417.38	3.08	-60.05
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1CC=CC[N@H+]1C	REAL300025404290	1	53	0.0	-68.64	421.61	3.10	-65.54
CCC1CN(CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025404371	0	52	0.0	-71.88	423.84	2.93	-68.95
CCC1C[NH+](CC(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C1	REAL300025404371	1	52	0.0	-71.88	423.84	2.93	-68.95
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025404376	0	49	0.0	-67.62	396.90	2.02	-65.60
CC1C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC[N@@H+]1C	REAL300025404398	0	52	0.0	-65.12	407.39	2.21	-62.91
CC1C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)CC[N@H+]1C	REAL300025404398	1	52	0.0	-65.12	407.39	2.21	-62.91
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1COCCN1C	REAL300025404426	0	53	0.0	-61.09	413.47	0.69	-60.40
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1COCC[N@@H+]1C	REAL300025404426	1	53	0.0	-71.82	421.06	0.87	-70.95
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1COCC[N@H+]1C	REAL300025404426	1	53	0.0	-71.82	421.06	0.87	-70.95
C[N@@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404639	0	50	0.0	-73.40	389.57	2.86	-70.54
CN1CCOC(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025404663	0	51	0.0	-82.76	397.04	2.24	-80.52
C[N@@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025404663	1	51	0.0	-64.04	396.17	2.17	-61.87
C[N@H+]1CCOC(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025404663	1	51	0.0	-64.04	396.17	2.17	-61.87
CC1=NC=CN1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404802	0	48	0.0	-65.56	400.72	3.78	-61.78
CC1=[NH+]C=CN1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404802	1	48	0.0	-65.56	400.72	3.78	-61.78
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)CC[N@@H+]1C	REAL300025404821	0	53	0.0	-78.26	410.71	4.04	-74.22
C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)CC[N@H+]1C	REAL300025404821	1	53	0.0	-78.26	410.71	4.04	-74.22
C[NH+](C)C1(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)CCC1	REAL300025404842	0	53	0.0	-79.85	397.49	3.20	-76.65
CC(C)[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300025404844	0	55	0.0	-74.38	410.26	3.70	-70.68
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)C1CCC1	REAL300025404854	0	53	0.0	-69.04	417.35	4.24	-64.80
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)C1CCC1	REAL300025404854	1	53	0.0	-69.04	417.35	4.24	-64.80
C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)CC1	REAL300025404880	0	53	0.0	-65.32	412.24	3.78	-61.54
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404886	0	53	0.0	-62.70	410.54	3.67	-59.03
CC1=CN=CN1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404903	0	48	0.0	-72.22	400.90	4.59	-67.63
CC1=C[NH+]=CN1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404903	1	48	0.0	-72.22	400.90	4.59	-67.63
C[N@@H+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025404913	0	53	0.0	-75.15	417.45	3.89	-71.26
C[N@H+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025404913	1	53	0.0	-75.15	417.45	3.89	-71.26
CCC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300025404916	0	52	0.0	-65.87	400.97	3.15	-62.72
C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404930	0	55	0.0	-77.83	436.39	4.41	-73.42
CC(C)C(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300025404934	0	55	0.0	-72.74	410.03	3.80	-68.94
CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404935	0	55	0.0	-75.13	432.63	4.25	-70.88
CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404935	1	55	0.0	-75.13	432.63	4.25	-70.88
CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404936	0	52	0.0	-70.56	410.39	3.67	-66.89
CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404936	1	52	0.0	-70.56	410.39	3.67	-66.89
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404951	0	50	0.0	-67.77	393.74	3.09	-64.68
CC[NH+](CC)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025404963	0	52	0.0	-69.53	402.71	3.33	-66.20
C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)CC1	REAL300025405017	0	53	0.0	-77.90	406.02	3.77	-74.13
C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)CC1	REAL300025405041	0	53	0.0	-65.32	412.24	3.78	-61.54
CC(C)[C@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300025405056	0	55	0.0	-65.11	414.29	3.70	-61.41
CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405084	0	52	0.0	-74.42	411.11	3.50	-70.92
CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405084	1	52	0.0	-74.42	411.11	3.50	-70.92
CC1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405095	0	53	0.0	-67.34	416.15	3.85	-63.49
CC1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405095	1	53	0.0	-67.34	416.15	3.85	-63.49
CC1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025405096	0	53	0.0	-69.81	416.88	3.98	-65.83
CC1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025405096	1	53	0.0	-69.81	416.88	3.98	-65.83
CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300025405098	0	52	0.0	-72.06	400.09	3.25	-68.81
CN1C=C[N+](CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)=C1	REAL300025405136	0	48	0.0	-70.12	402.39	5.77	-64.35
C[N@@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025405139	0	53	0.0	-62.48	407.26	3.99	-58.49
C[N@H+]1CCCC(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025405139	1	53	0.0	-62.48	407.26	3.99	-58.49
CC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)N1CCC1	REAL300025405147	0	50	0.0	-55.56	397.63	3.09	-52.47
CC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+]1CCC1	REAL300025405147	1	50	0.0	-55.56	397.63	3.09	-52.47
C[NH+](C)CC(C)(C)C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405150	0	55	0.0	-79.87	410.45	3.56	-76.31
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)C1CC1	REAL300025405157	0	50	0.0	-66.31	400.56	3.58	-62.73
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)C1CC1	REAL300025405157	1	50	0.0	-67.85	400.69	3.58	-64.27
C[NH+]1CC(CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025405168	0	50	0.0	-72.12	402.17	3.02	-69.10
C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300025405180	0	49	0.0	-69.80	386.91	2.52	-67.28
[N-]=[N+]=NCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NC(=O)NN3)[C@H]2C1	REAL300025405187	0	40	0.0	-28.37	348.11	-2.15	-30.52
C[N@H+](CCO)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405219	0	53	0.0	-73.23	421.48	0.28	-72.95
C[N@@H+](CCO)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405219	1	53	0.0	-73.92	421.42	0.27	-73.65
C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300025405220	0	49	0.0	-69.80	386.91	2.52	-67.28
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405223	0	53	0.0	-67.46	400.53	3.35	-64.11
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405223	1	53	0.0	-63.60	410.22	3.73	-59.87
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C[NH+]3CCC3)C[C@@H]21	REAL300025405250	1	47	0.0	-70.98	381.21	2.65	-68.33
C[N@@H+]1CCC(=CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025405260	0	51	0.0	-64.30	408.08	3.79	-60.51
C[N@H+]1CCC(=CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025405260	1	51	0.0	-67.96	409.31	3.72	-64.24
C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405270	0	53	0.0	-71.22	427.03	3.39	-67.83
C[C@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300025405281	0	49	0.0	-66.65	387.03	2.57	-64.08
CC1C[NH+](CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025405298	1	50	0.0	-71.46	401.28	3.30	-68.16
C[N@H+](CCO)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405311	1	50	0.0	-72.67	399.22	-0.33	-73.00
C[N@@H+](CCO)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405311	1	50	0.0	-70.56	399.00	-0.33	-70.89
CC(CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)C[NH+](C)C	REAL300025405323	0	55	0.0	-76.06	428.48	4.22	-71.84
CC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405325	0	49	0.0	-69.44	389.07	2.85	-66.59
CC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405325	1	49	0.0	-70.31	388.87	2.91	-67.40
CC[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)C1CC1	REAL300025405335	0	53	0.0	-65.89	420.44	4.22	-61.67
CC[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)C1CC1	REAL300025405335	1	53	0.0	-68.61	412.69	4.07	-64.54
CC[NH+](CC)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405341	0	55	0.0	-73.04	429.13	4.13	-68.91
CC1(C)C[NH+](CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025405349	1	53	0.0	-70.81	421.88	3.79	-67.02
C[NH+](C)CC=CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405356	0	50	0.0	-60.68	407.38	3.52	-57.16
COCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405365	1	53	0.0	-69.90	421.24	2.07	-67.83
COCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405365	1	53	0.0	-73.05	421.49	2.09	-70.96
CC(CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300025405374	0	55	0.0	-71.99	428.55	3.96	-68.03
CC[N@@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405378	1	50	0.0	-68.15	394.02	2.96	-65.19
CC[N@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405378	1	50	0.0	-71.71	402.62	3.20	-68.51
C=CCC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300025405403	0	53	0.0	-67.56	411.28	3.53	-64.03
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C[NH+]3CC4CC4C3)C[C@@H]21	REAL300025405411	0	51	0.0	-71.25	406.49	4.11	-67.14
CCCC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+](C)C	REAL300025405417	0	55	0.0	-64.52	420.38	3.84	-60.68
C[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405419	0	52	0.0	-79.69	390.99	2.66	-77.03
C[N@@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405429	0	53	0.0	-69.14	410.89	3.75	-65.39
C[N@H+]1CCCCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405429	1	53	0.0	-62.70	410.54	3.67	-59.03
C[NH+](C)C1(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)CC1	REAL300025405466	0	50	0.0	-77.83	392.25	2.58	-75.25
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)CC[NH+]3CCCC3)C[C@@H]21	REAL300025405467	0	53	0.0	-73.75	418.89	3.99	-69.76
C[N@@H+]1CC2CC1(C(=O)N1CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C1)C2	REAL300025405477	0	51	0.0	-73.86	398.22	3.17	-70.69
C[N@H+]1CC2CC1(C(=O)N1CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C1)C2	REAL300025405477	1	51	0.0	-78.60	398.32	3.21	-75.39
CC(C[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405513	0	52	0.0	-77.03	409.76	3.33	-73.70
CC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1)[NH+]1CC(C)C1	REAL300025405536	0	53	0.0	-68.66	417.66	3.77	-64.89
CC1CC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405537	1	50	0.0	-68.55	402.49	3.31	-65.24
CC1CC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405537	1	50	0.0	-68.71	397.35	3.11	-65.60
C[NH+](C)CC(O)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405539	0	53	0.0	-78.84	423.74	1.31	-77.53
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025405569	0	53	0.0	-77.46	420.38	3.92	-73.54
CC(CC[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025405570	0	55	0.0	-77.12	431.43	3.96	-73.16
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025405740	0	50	0.0	-72.04	390.48	2.72	-69.32
C[N@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025405740	1	50	0.0	-66.03	390.33	2.74	-63.29
C[N@@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025405766	1	51	0.0	-89.21	406.54	2.58	-86.63
C[N@H+]1CCOC(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025405766	1	51	0.0	-80.87	398.91	2.39	-78.48
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025405914	0	53	0.0	-72.93	417.58	3.86	-69.07
C[N@H+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025405914	1	53	0.0	-74.56	417.29	3.85	-70.71
CCC(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025405917	0	52	0.0	-63.89	400.93	3.22	-60.67
C[NH+](C)CCCCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025405926	0	55	0.0	-75.29	436.47	4.46	-70.83
CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025405931	0	55	0.0	-72.46	432.77	4.19	-68.27
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025405931	1	55	0.0	-72.61	432.77	4.21	-68.40
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025405932	0	52	0.0	-68.46	410.51	3.66	-64.80
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025405932	1	52	0.0	-68.10	410.45	3.74	-64.36
C[NH+](C)CC1(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC1	REAL300025405962	0	53	0.0	-70.17	419.47	3.89	-66.28
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025405967	0	52	0.0	-71.82	411.28	3.47	-68.35
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025405967	1	52	0.0	-71.92	411.28	3.46	-68.46
C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC1	REAL300025405983	0	53	0.0	-79.46	413.88	3.68	-75.78
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406024	0	53	0.0	-65.04	409.77	3.64	-61.40
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406024	1	53	0.0	-65.89	415.86	4.01	-61.88
CC1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025406039	0	53	0.0	-67.13	416.50	3.99	-63.14
CC1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025406039	1	53	0.0	-68.21	417.02	4.07	-64.14
CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025406041	0	52	0.0	-64.07	401.88	3.21	-60.86
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406076	1	48	0.0	-66.44	400.60	3.86	-62.58
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406091	1	48	0.0	-66.28	400.79	4.64	-61.64
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC[N@@H+]1C	REAL300025406092	0	53	0.0	-73.64	405.98	3.23	-70.41
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC[N@H+]1C	REAL300025406092	1	53	0.0	-69.06	408.74	3.47	-65.59
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CCC1	REAL300025406116	0	53	0.0	-66.56	417.11	4.30	-62.26
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CCC1	REAL300025406116	1	53	0.0	-65.98	417.22	4.29	-61.69
C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC1	REAL300025406123	0	53	0.0	-79.46	413.88	3.68	-75.78
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406133	0	50	0.0	-71.72	390.44	2.75	-68.97
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406133	1	50	0.0	-67.00	394.07	3.18	-63.82
CC1C(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC[N@@H+]1C	REAL300025406193	0	53	0.0	-71.97	415.33	3.75	-68.22
CC1C(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC[N@H+]1C	REAL300025406193	1	53	0.0	-67.75	411.71	3.66	-64.09
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025406227	0	49	0.0	-66.20	388.58	2.71	-63.49
O=C(CC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406245	0	53	0.0	-71.04	419.61	3.98	-67.06
C[N@H+](CCO)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406250	1	50	0.0	-68.54	399.37	-0.31	-68.85
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406250	1	50	0.0	-70.16	399.12	-0.30	-70.46
CC1C[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025406292	1	50	0.0	-68.98	402.45	3.42	-65.56
CC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406318	0	49	0.0	-68.17	389.01	2.92	-65.25
CC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406318	1	49	0.0	-68.01	389.01	2.93	-65.08
COCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406362	1	53	0.0	-70.19	421.33	2.15	-68.04
COCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406362	1	53	0.0	-68.65	421.44	2.15	-66.50
CC(CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025406364	0	55	0.0	-74.89	424.66	3.98	-70.91
CC[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CC1	REAL300025406368	0	53	0.0	-65.85	417.39	4.24	-61.61
CC[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CC1	REAL300025406368	1	53	0.0	-65.85	417.09	4.28	-61.57
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406387	0	52	0.0	-71.64	407.01	3.34	-68.30
C[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025406399	0	49	0.0	-69.47	389.41	2.62	-66.85
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406402	1	50	0.0	-67.50	395.58	3.01	-64.49
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406402	1	50	0.0	-69.69	402.93	3.23	-66.46
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406416	0	46	0.0	-76.05	377.82	0.30	-75.75
CCCC(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025406420	0	55	0.0	-66.64	425.64	4.15	-62.49
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406430	0	55	0.0	-72.17	428.92	3.89	-68.28
O=C(C[NH+]1CC2CC2C1)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406487	0	51	0.0	-68.56	406.09	4.09	-64.47
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406496	0	53	0.0	-64.22	412.72	3.81	-60.41
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406496	1	53	0.0	-65.18	401.26	3.48	-61.70
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025406518	0	51	0.0	-74.23	410.01	3.77	-70.46
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025406518	1	51	0.0	-74.38	409.05	3.83	-70.55
[N-]=[N+]=NCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NC(=O)NN3)C[C@@H]21	REAL300025406523	0	40	0.0	-27.54	348.06	-2.09	-29.63
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406536	0	50	0.0	-66.15	396.11	3.24	-62.91
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406536	1	50	0.0	-65.65	389.94	2.79	-62.86
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025406575	0	53	0.0	-75.10	420.80	3.97	-71.13
C[NH+](C)CCOCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406592	0	53	0.0	-72.80	426.98	3.35	-69.45
O=C(C[NH+]1CCCCC1)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406617	0	53	0.0	-68.58	413.01	4.13	-64.45
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025406618	0	53	0.0	-63.67	406.94	3.89	-59.78
C[N@H+]1CCCC(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025406618	1	53	0.0	-71.28	413.67	3.68	-67.60
CN1C=C[N+](CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)=C1	REAL300025406619	0	48	0.0	-67.79	402.38	5.85	-61.94
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CC1	REAL300025406628	0	50	0.0	-65.86	400.45	3.66	-62.20
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CC1	REAL300025406628	1	50	0.0	-65.68	400.57	3.75	-61.93
CC(CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C[NH+](C)C	REAL300025406636	0	55	0.0	-79.03	428.42	4.24	-74.79
C[NH+]1CC(CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025406677	0	50	0.0	-69.27	402.60	3.06	-66.21
C[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406684	0	46	0.0	-68.75	371.18	2.25	-66.50
C[N@H+](CCO)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406694	0	53	0.0	-72.44	421.62	0.25	-72.19
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406694	1	53	0.0	-70.49	421.58	0.24	-70.25
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025406695	0	49	0.0	-66.20	388.58	2.71	-63.49
CC(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+]1CC(C)C1	REAL300025406705	0	53	0.0	-68.19	414.79	3.79	-64.40
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406706	1	50	0.0	-66.81	397.01	3.07	-63.74
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406706	1	50	0.0	-67.57	402.58	3.30	-64.27
C[NH+](C)CC=CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406707	0	50	0.0	-74.88	406.95	3.53	-71.35
CC1(C)C[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025406710	1	53	0.0	-69.17	421.65	3.82	-65.35
CC[NH+](CC)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406726	0	52	0.0	-67.66	407.41	3.61	-64.05
O=C(C[NH+]1CCC1)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406731	1	47	0.0	-69.25	381.49	2.71	-66.54
CC[NH+](CC)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406747	0	55	0.0	-70.92	424.75	3.87	-67.05
CC(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+]1CCC1	REAL300025406769	1	50	0.0	-69.83	401.66	3.16	-66.67
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406788	0	53	0.0	-68.20	399.13	3.40	-64.80
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406788	1	53	0.0	-68.70	413.02	3.83	-64.87
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025406795	0	53	0.0	-76.06	423.74	1.27	-74.79
C=CCC(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025406807	0	53	0.0	-63.36	414.82	3.74	-59.62
NC(=[NH2+])SCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025406827	0	44	0.0	-75.58	379.25	-0.79	-76.37
CCC1C[NH+](CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)C1	REAL300025406887	0	53	0.0	-71.24	423.88	4.00	-67.24
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025406891	0	50	0.0	-55.27	395.32	3.05	-52.22
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]2C1	REAL300025406891	1	50	0.0	-73.62	389.61	2.77	-70.85
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCCC3)C[C@@H]21	REAL300025406898	0	53	0.0	-70.24	412.78	4.11	-66.13
CC1C(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)CC[N@@H+]1C	REAL300025406902	0	53	0.0	-69.32	407.77	3.66	-65.66
CC1C(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)CC[N@H+]1C	REAL300025406902	1	53	0.0	-74.20	413.49	3.48	-70.72
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC12CCC2	REAL300025407043	0	52	0.0	-61.76	408.82	2.66	-59.10
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC12CCC2)[NH+](C)C	REAL300025407048	0	55	0.0	-57.86	427.02	3.07	-54.79
[N-]=[N+]=NCC(=O)NC1CN(C(=O)CSC2=NC(=O)NN2)CCC12CCC2	REAL300025407051	0	46	0.0	-23.47	385.79	-1.73	-25.20
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC12CCC2)[NH+](C)C	REAL300025407058	0	55	0.0	-57.86	427.02	3.07	-54.79
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC12CCC2)[NH+](C)C	REAL300025407070	0	55	0.0	-57.96	426.87	3.09	-54.87
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC12CCC2	REAL300025407079	0	55	0.0	-60.78	426.66	3.33	-57.45
CC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC12CCC2	REAL300025407079	1	55	0.0	-61.00	426.54	3.32	-57.68
C[C@@H](C(=O)N1CCC2(CCC2)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025407217	0	55	0.0	-71.29	425.36	2.96	-68.33
CC[N@H+](C)CC(=O)N1CCC2(CCC2)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025407236	0	55	0.0	-72.51	426.52	3.22	-69.29
CC[N@@H+](C)CC(=O)N1CCC2(CCC2)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025407236	1	55	0.0	-72.49	426.44	3.25	-69.24
C[C@H](C(=O)N1CCC2(CCC2)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025407249	0	55	0.0	-70.03	424.09	2.87	-67.16
[N-]=[N+]=NCC(=O)N1CCC2(CCC2)C(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025407274	0	46	0.0	-24.56	385.64	-1.84	-26.40
C[NH+](C)CC(=O)N1CCC2(CCC2)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025407305	0	52	0.0	-73.00	408.82	2.56	-70.44
C[C@@H](C(=O)N1CCC2(CCC2)C(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025407308	0	55	0.0	-71.29	425.36	2.96	-68.33
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[NH+]2CCC2)CCC12CCC2	REAL300025407315	1	53	0.0	-73.41	419.12	3.03	-70.38
C[NH+](C)CC(=O)NCC1(C2CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025407452	0	52	0.0	-62.36	414.46	2.84	-59.52
C[C@@H](C(=O)NCC1(C2CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025407457	0	55	0.0	-55.45	431.33	4.04	-51.41
[N-]=[N+]=NCC(=O)NCC1(C2CC2)CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025407460	0	46	0.0	-22.67	390.20	-0.74	-23.41
C[C@@H](C(=O)NCC1(C2CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025407470	0	55	0.0	-55.45	431.33	4.04	-51.41
C[C@H](C(=O)NCC1(C2CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025407483	0	55	0.0	-61.36	432.50	3.24	-58.12
CC[N@H+](C)CC(=O)NCC1(C2CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025407495	0	55	0.0	-73.52	431.21	3.53	-69.99
CC[N@@H+](C)CC(=O)NCC1(C2CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025407495	1	55	0.0	-73.62	431.20	3.53	-70.09
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)(C2CC2)C1)[NH+](C)C	REAL300025407641	0	55	0.0	-70.09	429.86	3.12	-66.97
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)(C2CC2)C1	REAL300025407660	0	55	0.0	-72.18	431.25	3.48	-68.70
CC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)(C2CC2)C1	REAL300025407660	1	55	0.0	-72.15	431.25	3.47	-68.68
C[C@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)(C2CC2)C1)[NH+](C)C	REAL300025407673	0	55	0.0	-71.41	430.34	3.17	-68.24
[N-]=[N+]=NCC(=O)N1CCC(CNC(=O)CSC2=NC(=O)NN2)(C2CC2)C1	REAL300025407698	0	46	0.0	-23.78	388.77	-0.68	-24.46
C[NH+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)(C2CC2)C1	REAL300025407729	0	52	0.0	-73.00	413.53	2.80	-70.20
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)(C2CC2)C1)[NH+](C)C	REAL300025407732	0	55	0.0	-70.09	429.86	3.12	-66.97
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2CC2)CCN(C(=O)C[NH+]2CCC2)C1	REAL300025407739	1	53	0.0	-72.62	423.82	3.28	-69.34
CN(CC1=CC(CNC(=O)C[NH+](C)C)=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025407842	0	51	0.0	-75.00	429.20	3.53	-71.47
CN(CC1=CC=CC(CNC(=O)CN=[N+]=[N-])=C1)C(=O)CSC1=NC(=O)NN1	REAL300025407847	0	45	0.0	-23.90	406.12	-0.87	-24.77
CN(CC1=CC=CC(CNC(=O)CSC2=NC(=O)NN2)=C1)C(=O)CN=[N+]=[N-]	REAL300025407916	0	45	0.0	-24.42	405.88	-0.94	-25.36
CN(CC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1)C(=O)C[NH+](C)C	REAL300025407927	0	51	0.0	-71.11	428.90	3.46	-67.65
C[NH+](C)CC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CO	REAL300025408020	0	52	0.0	-59.01	399.86	0.28	-58.73
[N-]=[N+]=NCC(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)CCC1CO	REAL300025408026	0	46	0.0	-21.96	376.83	-4.11	-26.07
[N-]=[N+]=NCC(=O)N1CCC(CO)C(NC(=O)CSC2=NC(=O)NN2)CC1	REAL300025408208	0	46	0.0	-24.92	377.65	-4.16	-29.08
C[NH+](C)CC(=O)N1CCC(CO)C(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025408230	0	52	0.0	-72.48	400.65	0.24	-72.24
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[NH+]2CCC2)CCC1CO	REAL300025408239	1	53	0.0	-72.67	410.72	0.66	-72.01
C[NH+](C)CC(=O)NC1CCCCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025408289	0	55	0.0	-53.77	417.91	4.33	-49.44
[N-]=[N+]=NCC(=O)NC1CCCCC12CCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025408294	0	49	0.0	-21.82	399.00	0.11	-21.71
[N-]=[N+]=NCC(=O)N1CCC2(C1)CCCCC2NC(=O)CSC1=NC(=O)NN1	REAL300025408356	0	49	0.0	-24.03	402.45	-0.91	-24.94
C[NH+](C)CC(=O)N1CCC2(C1)CCCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025408363	0	55	0.0	-74.18	424.08	3.38	-70.80
C[N@@H+]1CCCC1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025408531	0	47	0.0	-68.65	386.74	-2.99	-71.64
C[N@H+]1CCCC1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025408531	1	47	0.0	-65.31	392.77	-2.44	-67.75
CC(C)[N@@H+]1CCCC1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025408695	0	53	0.0	-63.20	425.18	-1.46	-64.66
CC(C)[N@H+]1CCCC1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025408695	1	53	0.0	-65.71	406.01	0.28	-65.43
CC1=[NH+]C=CN1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025408715	1	45	0.0	-65.93	396.40	-1.88	-67.81
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300025408732	0	51	0.0	-74.76	407.57	-1.62	-76.38
C[C@@H]1[C@H](C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025408754	0	50	0.0	-71.13	399.48	-1.93	-73.06
C[C@@H]1[C@H](C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025408754	1	50	0.0	-65.43	408.75	-2.01	-67.44
CC[C@@H]1[C@@H](C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025408756	0	53	0.0	-71.21	423.87	-1.77	-72.98
CC[C@@H]1[C@@H](C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025408756	1	53	0.0	-63.89	427.77	-1.28	-65.17
CC1CCC(C)[NH+]1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025408791	0	53	0.0	-64.60	424.94	-1.42	-66.02
O=C(CCC[NH+]1CCCC1)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025408793	0	53	0.0	-69.87	436.24	-0.96	-70.83
O=C(CC[NH+]1CCCCC1)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025408795	0	53	0.0	-69.16	430.42	-1.07	-70.23
C[N@H+](CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025408824	0	50	0.0	-66.58	412.51	-1.51	-68.09
C[N@@H+](CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025408824	1	50	0.0	-64.57	412.95	-1.50	-66.07
C[N@@H+]1CCCC1CCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025408871	0	53	0.0	-69.64	428.68	-1.49	-71.13
C[N@H+]1CCCC1CCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025408871	1	53	0.0	-68.08	428.29	-1.48	-69.56
C[NH+]1CCC(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025408884	0	50	0.0	-70.48	411.35	-1.82	-72.30
CC1=C[NH+]=CN1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025408946	1	45	0.0	-67.01	396.73	-1.15	-68.16
C[N@@H+]1CCC(CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025408963	0	50	0.0	-70.60	413.51	-1.93	-72.53
C[N@H+]1CCC(CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025408963	1	50	0.0	-70.28	413.77	-1.93	-72.21
CCC(C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025408969	0	49	0.0	-66.81	396.35	-2.54	-69.35
C[NH+](C)CCCCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409002	0	52	0.0	-71.87	432.33	-1.35	-73.22
CCC[N@H+](C)CCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409012	0	52	0.0	-70.31	428.01	-1.53	-71.84
CCC[N@@H+](C)CCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409012	1	52	0.0	-70.49	428.01	-1.55	-72.04
CCC[N@H+](C)CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409014	0	49	0.0	-68.25	405.64	-2.10	-70.35
CCC[N@@H+](C)CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409014	1	49	0.0	-67.97	405.64	-2.09	-70.06
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025409021	0	51	0.0	-69.73	408.58	-2.27	-72.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025409021	1	51	0.0	-74.25	406.98	-2.04	-76.29
C[N@@H+]1CCC[C@@H]1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409039	0	47	0.0	-64.29	386.60	-2.97	-67.26
C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409039	1	47	0.0	-66.07	391.77	-2.44	-68.51
CC[NH+](CC)CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409062	0	49	0.0	-64.47	398.51	-0.71	-65.18
CC1CC[NH+](CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025409107	0	53	0.0	-68.00	428.98	-1.02	-69.02
C[NH+](C)CC1(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025409120	0	50	0.0	-61.08	414.60	-0.02	-61.10
C[NH+]1CCC(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025409156	0	50	0.0	-70.48	411.35	-1.82	-72.30
CC[N@H+](C)CCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409208	0	49	0.0	-68.80	406.59	-2.32	-71.12
CC[N@@H+](C)CCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409208	1	49	0.0	-69.88	406.51	-2.30	-72.18
CC1CCC[N@@H+]1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409227	0	50	0.0	-64.98	404.88	-1.99	-66.97
CC1CCC[N@H+]1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409227	1	50	0.0	-65.06	405.16	-2.13	-67.19
CC1CC[N@H+](CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409228	0	50	0.0	-66.87	412.78	-1.85	-68.72
CC1CC[N@@H+](CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409228	1	50	0.0	-67.11	412.35	-1.75	-68.86
CC1(C)CC[N@H+](CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409229	0	53	0.0	-67.39	432.00	-1.25	-68.64
CC1(C)CC[N@@H+](CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409229	1	53	0.0	-67.20	431.69	-1.28	-68.48
CC[C@@H](C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025409235	0	49	0.0	-63.84	396.75	-2.37	-66.21
C[NH+](C)CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409294	0	43	0.0	-68.70	366.97	-3.49	-72.19
O=C(C[NH+]1CCCCCC1)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409297	0	53	0.0	-67.05	419.36	-1.10	-68.15
CN1C=C[N+](CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025409299	0	45	0.0	-67.10	397.64	0.01	-67.09
C[N@@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409302	0	50	0.0	-68.92	411.39	-1.87	-70.79
C[N@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409302	1	50	0.0	-63.17	404.55	-1.71	-64.88
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025409306	0	51	0.0	-63.73	423.74	-0.97	-64.70
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025409306	1	51	0.0	-63.67	418.54	-1.05	-64.72
CC(C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025409315	1	47	0.0	-66.32	394.54	-2.47	-68.79
C[N@H+](CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025409332	0	47	0.0	-65.82	395.67	-2.10	-67.92
C[N@@H+](CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025409332	1	47	0.0	-65.31	395.69	-2.09	-67.40
C[NH+]1CC(CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409344	0	47	0.0	-70.97	398.07	-2.75	-73.72
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409353	0	53	0.0	-64.11	428.10	-1.79	-65.90
CC(C)(C)[N@H+]1CCC1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409353	1	53	0.0	-64.34	406.91	-2.71	-67.05
C[C@@H](C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025409362	0	46	0.0	-64.26	384.76	-3.08	-67.34
[N-]=[N+]=NCC(=O)NC1(CO)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025409369	0	37	0.0	-24.72	343.38	-7.91	-32.63
[NH2+]=C1SC=CN1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409402	0	43	0.0	-65.18	394.04	-3.31	-68.49
C[N@H+](CCO)CCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409407	0	50	0.0	-70.44	416.86	-5.51	-75.95
C[N@@H+](CCO)CCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409407	1	50	0.0	-69.05	416.79	-5.52	-74.57
C[C@@H](C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025409408	0	46	0.0	-64.26	384.76	-3.08	-67.34
C[N@@H+]1CCCC[C@@H]1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409411	0	50	0.0	-66.88	399.77	-2.07	-68.95
C[N@H+]1CCCC[C@@H]1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409411	1	50	0.0	-66.29	408.62	-1.96	-68.25
C[N@@H+]1CCC(=CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409460	0	48	0.0	-72.77	405.28	-1.98	-74.75
C[N@H+]1CCC(=CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409460	1	48	0.0	-73.45	404.31	-1.93	-75.38
C[NH+](C)CCOCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409476	0	50	0.0	-70.73	422.77	-2.51	-73.24
C=CCC(C)(C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025409486	0	53	0.0	-61.72	418.04	-0.12	-61.84
CC1CN(CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409513	0	47	0.0	-68.20	396.74	-2.32	-70.52
CC1C[NH+](CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409513	1	47	0.0	-68.20	396.74	-2.32	-70.52
CN(CCO)CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409528	0	47	0.0	-68.09	394.50	-6.07	-74.16
C[N@H+](CCO)CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409528	1	47	0.0	-68.62	394.47	-6.05	-74.67
C[N@@H+](CCO)CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409528	1	47	0.0	-68.62	394.47	-6.05	-74.67
CC[N@@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409543	0	53	0.0	-61.24	422.89	-1.00	-62.24
CC[N@H+]1CCCC(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409543	1	53	0.0	-61.24	422.89	-1.00	-62.24
CC(CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025409545	0	52	0.0	-72.78	423.52	-1.54	-74.32
CC[N@H+](C)CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409547	0	46	0.0	-67.69	384.70	-2.82	-70.51
CC[N@H+](CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025409567	0	50	0.0	-64.76	412.70	-1.48	-66.24
CC[NH+](CC)CCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409574	0	52	0.0	-68.42	424.33	-1.56	-69.98
C[NH+](C)CC=CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409599	0	47	0.0	-72.34	402.36	-2.29	-74.63
COCCN(C)CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409610	0	50	0.0	-68.00	416.56	-3.68	-71.68
COCC[N@H+](C)CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409610	1	50	0.0	-68.12	417.30	-3.66	-71.78
COCC[N@@H+](C)CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409610	1	50	0.0	-68.12	417.30	-3.66	-71.78
CC(CCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025409624	0	52	0.0	-72.23	420.40	-1.79	-74.02
CCN1CCC1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409630	0	47	0.0	-66.87	398.28	-2.54	-69.41
CC[N@@H+]1CCC1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409630	1	47	0.0	-66.95	389.58	-2.70	-69.65
CC[N@H+]1CCC1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409630	1	47	0.0	-66.95	389.58	-2.70	-69.65
C=CCC(C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025409662	0	50	0.0	-70.21	415.44	-1.70	-71.91
C[N@@H+]1CC(C)(C)CC1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409666	0	53	0.0	-65.98	432.99	-1.36	-67.34
CCCC(C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025409682	0	52	0.0	-69.17	420.94	-1.59	-70.76
C[N@@H+]1CCCCC1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409700	0	50	0.0	-65.03	399.18	-2.12	-67.15
C[N@H+]1CC=C(CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025409717	0	51	0.0	-69.06	426.11	-1.17	-70.23
C[N@@H+]1CC=C(CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025409717	1	51	0.0	-69.06	426.11	-1.17	-70.23
O=C(C=CC[NH+]1CCCC1)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409742	0	51	0.0	-70.79	428.24	-1.15	-71.94
O=C(CC[NH+]1CCCC1)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409762	0	50	0.0	-69.16	414.73	-1.77	-70.93
O=C(C[N@@H+]1CC2CCC1C2)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409786	0	51	0.0	-64.45	410.66	-1.61	-66.06
CC(C[NH+](C)C)C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409835	0	49	0.0	-69.59	405.05	-2.22	-71.81
C[N@@H+]1CCCCC1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409866	0	53	0.0	-60.45	418.35	-1.44	-61.89
C[N@H+]1CCCCC1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409866	1	53	0.0	-60.45	418.35	-1.44	-61.89
CC(C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300025409874	0	50	0.0	-64.72	415.47	-1.83	-66.55
CC(C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025409874	1	50	0.0	-64.72	415.47	-1.83	-66.55
CC1CCN1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409876	0	47	0.0	-66.39	392.15	-2.69	-69.08
CC1CC[N@@H+]1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409876	1	47	0.0	-67.33	397.58	-2.33	-69.66
CC1CC[N@H+]1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409876	1	47	0.0	-67.33	397.58	-2.33	-69.66
C[NH+](C)CC(O)CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409877	0	50	0.0	-73.16	419.58	-4.50	-77.66
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025409921	0	50	0.0	-67.47	415.97	-1.78	-69.25
CC(CC[NH+](C)C)C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409925	0	52	0.0	-70.59	426.69	-1.60	-72.19
CN1CCN(CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025409937	0	52	0.0	-68.76	425.84	-4.00	-72.76
C[NH+]1CCN(CC(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025409937	1	52	0.0	-68.76	425.84	-4.00	-72.76
C[N@@H+]1CCCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410105	0	47	0.0	-70.68	391.55	-2.60	-73.28
CN1CCOC(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025410131	0	48	0.0	-90.44	401.79	-3.15	-93.59
C[N@@H+]1CCOC(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025410131	1	48	0.0	-74.24	392.78	-3.34	-77.58
C[N@H+]1CCOC(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025410131	1	48	0.0	-74.24	392.78	-3.34	-77.58
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300025410287	0	51	0.0	-69.57	406.26	-1.82	-71.39
C[N@@H+]1CCC(CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025410308	0	50	0.0	-78.65	412.68	-1.90	-80.55
C[N@H+]1CCC(CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025410308	1	50	0.0	-79.52	412.87	-1.91	-81.43
CCC(C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025410314	0	49	0.0	-71.83	394.92	-2.48	-74.31
C[NH+](C)CCCCC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410343	0	52	0.0	-77.93	431.77	-1.39	-79.32
CC(C)C(C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025410355	0	52	0.0	-71.01	408.63	-1.73	-72.74
CCC[N@H+](C)CCC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410356	0	52	0.0	-77.58	428.31	-1.53	-79.11
CCC[N@@H+](C)CCC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410356	1	52	0.0	-77.97	428.15	-1.55	-79.52
CCC[N@H+](C)CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410359	0	49	0.0	-74.03	405.95	-2.08	-76.11
CCC[N@@H+](C)CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410359	1	49	0.0	-74.16	405.94	-2.08	-76.24
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025410368	0	51	0.0	-81.13	401.76	-2.59	-83.72
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025410368	1	51	0.0	-86.18	400.75	-2.60	-88.78
CC1CC[NH+](CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025410392	0	53	0.0	-74.29	428.99	-1.05	-75.34
C[NH+](C)CC1(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025410429	0	50	0.0	-74.46	411.17	-2.05	-76.51
CC[N@H+](C)CCC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410446	0	49	0.0	-76.53	406.51	-2.29	-78.82
CC[N@@H+](C)CCC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410446	1	49	0.0	-77.23	406.67	-2.28	-79.51
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300025410457	0	51	0.0	-85.36	406.72	-1.77	-87.13
C[NH+]1CCC(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025410494	0	50	0.0	-82.40	408.86	-2.04	-84.44
CC(C)[C@H](C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025410509	0	52	0.0	-71.39	411.24	-1.77	-73.16
C[NH+](C)C1(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025410569	0	50	0.0	-78.06	396.38	-2.44	-80.50
CC1CCC[N@@H+]1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410603	0	50	0.0	-70.91	405.27	-2.15	-73.06
CC1CCC[N@H+]1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410603	1	50	0.0	-71.69	411.50	-1.84	-73.53
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410629	0	53	0.0	-69.99	415.25	-0.99	-70.98
CC(C)[N@H+]1CCCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410629	1	53	0.0	-69.53	424.38	-1.47	-71.00
CC(C)[C@@H](C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025410636	0	52	0.0	-71.79	409.14	-1.64	-73.43
CC1CC[N@H+](CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025410646	0	50	0.0	-73.13	412.88	-1.85	-74.98
CC1CC[N@@H+](CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025410646	1	50	0.0	-74.05	411.91	-1.76	-75.81
CC1(C)CC[N@H+](CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025410647	0	53	0.0	-73.35	431.88	-1.31	-74.66
CC1(C)CC[N@@H+](CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025410647	1	53	0.0	-73.57	431.97	-1.28	-74.85
CC[C@@H](C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025410654	0	49	0.0	-72.27	399.49	-2.18	-74.45
CC1=[NH+]C=CN1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410732	1	45	0.0	-70.18	396.11	-1.90	-72.08
CC1=C[NH+]=CN1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410790	1	45	0.0	-73.25	395.30	-1.21	-74.46
C[C@@H]1[C@H](C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025410794	0	50	0.0	-78.38	402.82	-1.98	-80.36
C[C@@H]1[C@H](C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025410794	1	50	0.0	-78.95	407.50	-2.20	-81.15
CC[C@@H]1[C@@H](C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025410796	0	53	0.0	-76.54	420.91	-1.92	-78.46
CC[C@@H]1[C@@H](C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025410796	1	53	0.0	-76.83	427.53	-1.56	-78.39
CC1CCC(C)[NH+]1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410801	0	53	0.0	-70.62	423.83	-1.47	-72.09
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)CCC[NH+]2CCCC2)C1	REAL300025410803	0	53	0.0	-76.09	434.82	-1.09	-77.18
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)CC[NH+]2CCCCC2)C1	REAL300025410806	0	53	0.0	-76.33	430.15	-1.11	-77.44
CC[N@@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410809	0	53	0.0	-70.20	425.86	-1.36	-71.56
CC[N@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410809	1	53	0.0	-71.53	413.04	-1.73	-73.26
C[N@H+](CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025410886	0	50	0.0	-72.87	412.75	-1.52	-74.39
C[N@@H+](CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025410886	1	50	0.0	-72.30	412.95	-1.50	-73.80
C[NH+]1CCC(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025410906	0	50	0.0	-82.40	408.86	-2.04	-84.44
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410928	0	47	0.0	-71.63	385.44	-3.06	-74.69
C[N@H+]1CCC[C@@H]1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410928	1	47	0.0	-70.82	389.32	-2.51	-73.33
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410945	1	49	0.0	-72.17	412.09	-1.82	-73.99
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410945	1	49	0.0	-72.51	416.29	-1.34	-73.85
C[N@@H+]1CCCC1CCC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410950	0	53	0.0	-79.42	434.34	-1.01	-80.43
C[N@H+]1CCCC1CCC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025410950	1	53	0.0	-74.83	428.18	-1.50	-76.33
C[N@@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411009	0	50	0.0	-71.49	397.06	-2.32	-73.81
C[N@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411009	1	50	0.0	-72.56	395.52	-2.30	-74.86
CC1C(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025411054	0	50	0.0	-75.41	410.54	-2.19	-77.60
CC1C(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025411054	1	50	0.0	-77.17	407.70	-1.94	-79.11
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411101	0	53	0.0	-72.48	428.16	-1.76	-74.24
CC(C)(C)[N@H+]1CCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411101	1	53	0.0	-70.96	411.76	-2.60	-73.56
C[C@@H](C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025411113	0	46	0.0	-72.77	384.55	-3.19	-75.96
C=CCC(C)(C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025411125	0	53	0.0	-76.08	414.04	-1.76	-77.84
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025411137	0	50	0.0	-76.49	414.92	-1.78	-78.27
C[N@H+](CCO)CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411143	1	47	0.0	-75.57	394.80	-6.06	-81.63
C[N@@H+](CCO)CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411143	1	47	0.0	-75.41	394.78	-6.00	-81.41
C[N@H+]1CC=C(CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025411188	0	51	0.0	-73.38	425.55	-1.19	-74.57
C[N@@H+]1CC=C(CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025411188	1	51	0.0	-71.33	425.55	-1.20	-72.53
CC1C[NH+](CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025411228	1	47	0.0	-74.87	397.52	-2.35	-77.22
CC[N@@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025411233	0	53	0.0	-68.64	419.54	-1.14	-69.78
CC[N@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025411233	1	53	0.0	-64.31	429.22	-1.37	-65.68
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025411244	0	51	0.0	-77.71	417.26	-1.59	-79.30
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025411244	1	51	0.0	-69.12	416.21	-1.26	-70.38
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C=CC[NH+]2CCCC2)C1	REAL300025411263	0	51	0.0	-78.55	427.00	-1.24	-79.79
CC[N@H+](C)CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411298	0	46	0.0	-73.89	384.44	-2.82	-76.71
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)CN2CC3C=CC2C3)C1	REAL300025411325	0	49	0.0	-71.29	405.50	-1.66	-72.95
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300025411325	1	49	0.0	-72.44	405.95	-1.53	-73.97
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300025411325	1	49	0.0	-72.44	405.95	-1.53	-73.97
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2C[NH+]3CCN2CC3)C1	REAL300025411367	0	50	0.0	-80.30	399.39	-5.30	-85.60
COCCN(C)CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411398	0	50	0.0	-75.39	417.03	-3.60	-78.99
COCC[N@H+](C)CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411398	1	50	0.0	-75.85	417.05	-3.66	-79.51
COCC[N@@H+](C)CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411398	1	50	0.0	-75.85	417.05	-3.66	-79.51
CC(CCC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025411401	0	52	0.0	-80.15	420.10	-1.74	-81.89
CC[N@H+](CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025411413	0	50	0.0	-72.83	408.24	-1.55	-74.38
C[N@@H+]1CC2CC1(C(=O)N1CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025411437	0	48	0.0	-76.17	398.25	-2.53	-78.70
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300025411444	0	51	0.0	-71.89	411.02	-1.58	-73.47
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300025411444	1	51	0.0	-71.89	411.02	-1.58	-73.47
CC(C[NH+](C)C)C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411457	0	49	0.0	-77.03	404.91	-2.38	-79.41
CCN1CCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411484	0	47	0.0	-73.91	389.27	-2.96	-76.87
CC[N@@H+]1CCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411484	1	47	0.0	-74.34	398.34	-2.52	-76.86
CC[N@H+]1CCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411484	1	47	0.0	-74.34	398.34	-2.52	-76.86
CCCC(C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025411518	0	52	0.0	-72.11	421.33	-1.64	-73.75
C[NH+](C)C(C)(C)C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411522	0	49	0.0	-80.56	389.41	-2.42	-82.98
CC(CC[NH+](C)C)C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411535	0	52	0.0	-77.57	428.09	-1.73	-79.30
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411582	0	53	0.0	-75.61	420.03	-1.90	-77.51
C[N@H+]1CC(C)(C)CC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411582	1	53	0.0	-75.61	420.03	-1.90	-77.51
CN1CCN(CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025411589	0	52	0.0	-75.31	425.52	-4.05	-79.36
C[NH+]1CCN(CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025411589	1	52	0.0	-75.31	425.52	-4.05	-79.36
C[N@@H+]1CCCCC1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411666	0	50	0.0	-72.56	395.52	-2.30	-74.86
C[N@@H+]1CCC(=CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025411721	0	48	0.0	-78.30	405.01	-1.98	-80.28
C[N@H+]1CCC(=CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025411721	1	48	0.0	-78.30	405.01	-1.98	-80.28
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300025411723	0	46	0.0	-76.11	402.31	-4.24	-80.35
C[NH+](C)C1(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025411772	0	53	0.0	-75.28	404.93	-1.55	-76.83
CCC1CN(CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025411779	0	50	0.0	-75.72	418.67	-1.62	-77.34
CCC1C[NH+](CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025411779	1	50	0.0	-75.72	418.67	-1.62	-77.34
C[N@@H+]1CCC[C@H]1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411788	0	47	0.0	-75.68	385.86	-3.02	-78.70
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025411862	0	50	0.0	-78.33	416.18	-1.78	-80.11
C[NH+](C)CCC1(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025411869	0	53	0.0	-82.95	439.59	-0.98	-83.93
C[N@@H+]1CC=CCC1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411870	0	51	0.0	-79.22	417.67	-1.48	-80.70
C[N@H+]1CC=CCC1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411870	1	51	0.0	-79.22	417.67	-1.48	-80.70
C[NH+](C)CCOCC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411897	0	50	0.0	-76.37	422.47	-2.42	-78.79
[NH2+]=C1SC=CN1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025411920	0	43	0.0	-70.98	393.77	-3.32	-74.30
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300025411971	0	50	0.0	-73.47	408.15	-1.66	-75.13
C[N@@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025411972	0	50	0.0	-68.89	402.61	-1.92	-70.81
C[N@H+]1CCCC(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025411972	1	50	0.0	-80.12	402.15	-1.98	-82.10
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C[NH+]2CCCCCC2)C1	REAL300025411973	0	53	0.0	-72.61	417.68	-1.44	-74.05
CN1C=C[N+](CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025411975	0	45	0.0	-71.69	397.82	-0.00	-71.69
C[N@@H+](CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025411994	1	47	0.0	-71.93	396.02	-2.09	-74.02
CC(CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025412008	0	52	0.0	-77.23	424.07	-1.48	-78.71
C[NH+]1CC(CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025412099	0	47	0.0	-75.83	397.88	-2.69	-78.52
C[NH+](C)CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412108	0	43	0.0	-74.42	366.41	-3.53	-77.95
C[N@H+](CCO)CCC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412121	0	50	0.0	-77.36	417.01	-5.51	-82.87
C[N@@H+](CCO)CCC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412121	1	50	0.0	-76.37	417.03	-5.48	-81.85
C[C@@H](C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025412122	0	46	0.0	-72.77	384.55	-3.19	-75.96
C[N@@H+]1CCCCC1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412135	0	53	0.0	-68.39	418.04	-1.38	-69.77
C[N@H+]1CCCCC1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412135	1	53	0.0	-78.30	425.71	-1.34	-79.64
CC(C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025412145	0	50	0.0	-70.57	412.49	-2.14	-72.71
CC1CCN1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412147	0	47	0.0	-73.27	398.07	-2.39	-75.66
CC1CC[N@@H+]1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412147	1	47	0.0	-72.58	398.00	-2.38	-74.96
CC1CC[N@H+]1CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412147	1	47	0.0	-73.27	398.07	-2.39	-75.66
C[NH+](C)CC=CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412153	0	47	0.0	-79.95	402.69	-2.31	-82.26
CC1(C)C[NH+](CC(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025412158	1	50	0.0	-74.71	417.30	-1.88	-76.59
CC[NH+](CC)CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412192	0	49	0.0	-71.82	402.23	-2.20	-74.02
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C[NH+]2CCC2)C1	REAL300025412201	1	44	0.0	-75.16	376.69	-3.08	-78.24
CC[NH+](CC)CCC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412228	0	52	0.0	-75.54	424.06	-1.60	-77.14
CC(C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025412278	1	47	0.0	-70.54	391.63	-2.74	-73.28
C[NH+](C)CC(C)(C)C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412287	0	52	0.0	-75.20	407.86	-2.32	-77.52
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412314	0	50	0.0	-70.67	396.55	-2.38	-73.05
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412314	1	50	0.0	-69.16	407.73	-1.96	-71.12
C[NH+](C)CC(O)CC(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412331	0	50	0.0	-80.52	419.02	-4.46	-84.98
C=CCC(C(=O)N1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025412350	0	50	0.0	-70.93	408.27	-1.99	-72.92
C[NH+]1CCC(C)(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025412360	0	53	0.0	-71.22	417.19	-1.93	-73.15
NC(=[NH2+])SCC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412381	0	41	0.0	-69.54	374.88	-6.54	-76.08
C[N@@H+]1CC=CCC1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412398	0	51	0.0	-61.53	412.59	-1.53	-63.06
C[N@H+]1CC=CCC1CC(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412398	1	51	0.0	-65.35	412.57	-1.52	-66.87
C[N@@H+]1CCC[C@H]1C(=O)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025412465	0	47	0.0	-64.11	385.02	-3.07	-67.18
CC1C(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025412481	0	50	0.0	-70.06	405.27	-1.90	-71.96
CC1C(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025412481	1	50	0.0	-70.06	405.27	-1.90	-71.96
CC[N@H+](C)CC(=O)NC12CCN(C(=O)CSC3=NNC(=O)[N-]3)C1CCCC2	REAL300025412675	0	55	0.0	-65.61	419.09	3.48	-62.13
CC[N@H+](C)CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCCC12	REAL300025412823	0	55	0.0	-67.36	419.12	3.39	-63.97
O=C(CSC1=NNC(=O)[N-]1)NC12CCN(C(=O)CN3CCC3)C1CCCC2	REAL300025412888	0	53	0.0	-67.36	411.65	3.16	-64.20
O=C(CSC1=NNC(=O)[N-]1)NC12CCN(C(=O)C[NH+]3CCC3)C1CCCC2	REAL300025412888	1	53	0.0	-67.36	411.65	3.16	-64.20
C[N@@H+]1CCCC1C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413025	0	53	0.0	-69.34	428.98	2.85	-66.49
CCC(C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025413128	0	55	0.0	-73.24	436.21	2.99	-70.25
CCC[N@H+](C)CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413133	0	55	0.0	-75.20	441.78	3.27	-71.93
CCC[N@@H+](C)CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413133	1	55	0.0	-75.20	441.78	3.27	-71.93
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413141	0	53	0.0	-70.47	427.73	2.92	-67.55
CC[NH+](CC)CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413146	0	55	0.0	-74.42	433.86	2.88	-71.54
CC[N@H+](C)CCC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413204	0	55	0.0	-76.10	442.64	3.06	-73.04
CC[N@@H+](C)CCC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413204	1	55	0.0	-76.01	442.65	3.08	-72.93
CC[C@@H](C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025413207	0	55	0.0	-73.86	435.20	3.01	-70.85
C[NH+](C)CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413225	0	49	0.0	-76.39	402.27	1.79	-74.60
CC(C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025413229	1	53	0.0	-72.48	430.32	2.88	-69.60
C[N@H+](CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025413236	0	53	0.0	-72.67	431.96	3.26	-69.41
C[N@@H+](CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025413236	1	53	0.0	-72.85	431.96	3.26	-69.59
C[NH+]1CC(CC(=O)NC2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025413242	0	53	0.0	-74.86	434.00	2.68	-72.18
C[C@@H](C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025413249	0	52	0.0	-73.55	420.67	2.25	-71.30
[N-]=[N+]=NCC(=O)NC1CCC2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025413252	0	43	0.0	-24.84	379.36	-2.63	-27.47
C[C@@H](C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025413271	0	52	0.0	-73.55	420.67	2.25	-71.30
O=C(C[NH+]1CCC1)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413289	1	50	0.0	-75.53	412.86	2.33	-73.20
C[C@H](C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025413300	0	52	0.0	-74.30	420.70	2.27	-72.03
CC1C[NH+](CC(=O)NC2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025413307	1	53	0.0	-75.06	433.84	2.95	-72.11
C[N@H+](CCO)CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413318	1	53	0.0	-75.84	430.64	-0.72	-76.56
C[N@@H+](CCO)CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413318	1	53	0.0	-75.13	430.41	-0.72	-75.85
CC[N@H+](C)CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413325	0	52	0.0	-74.67	420.29	2.53	-72.14
CC[N@@H+](C)CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413325	1	52	0.0	-74.75	420.28	2.53	-72.22
C[NH+](C)CC=CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413343	0	53	0.0	-77.87	438.56	3.04	-74.83
CC[N@@H+]1CCC1C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413349	1	53	0.0	-72.10	434.05	2.74	-69.36
CC[N@H+]1CCC1C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413349	1	53	0.0	-75.95	434.81	2.80	-73.15
C[NH+](C)C(C)(C)C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413363	0	55	0.0	-80.24	429.73	2.93	-77.31
C[NH+](C)C1(C(=O)NC2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025413386	0	53	0.0	-78.46	423.79	3.28	-75.18
CC(C[NH+](C)C)C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413408	0	55	0.0	-76.93	440.67	3.07	-73.86
CC1CC[N@@H+]1CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413419	1	53	0.0	-72.14	428.43	2.64	-69.50
CC1CC[N@H+]1CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025413419	1	53	0.0	-74.67	433.91	2.94	-71.73
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413534	0	53	0.0	-70.04	427.00	2.67	-67.37
C[N@H+]1CCCC1C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413534	1	53	0.0	-75.36	422.37	2.26	-73.10
CCC(C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025413608	0	55	0.0	-71.66	433.42	2.94	-68.72
CCC[N@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413612	0	55	0.0	-74.47	441.50	3.18	-71.29
CCC[N@@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413612	1	55	0.0	-74.19	441.29	3.14	-71.05
CC[N@H+](C)CCC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413629	0	55	0.0	-76.07	442.16	2.97	-73.10
CC[N@@H+](C)CCC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413629	1	55	0.0	-74.56	442.65	3.07	-71.49
CC[C@@H](C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025413670	0	55	0.0	-71.27	436.16	2.98	-68.29
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413716	0	53	0.0	-72.78	421.49	2.25	-70.53
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413716	1	53	0.0	-70.42	426.15	2.75	-67.67
C[C@@H](C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025413771	0	52	0.0	-71.38	419.99	2.20	-69.18
C[N@H+](CCO)CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413781	1	53	0.0	-73.18	430.64	-0.74	-73.92
C[N@@H+](CCO)CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413781	1	53	0.0	-75.00	430.16	-0.79	-75.79
CC1C[NH+](CC(=O)N2CC3(C2)CCC(NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025413797	1	53	0.0	-72.78	433.85	2.91	-69.87
CC[N@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413815	0	52	0.0	-72.43	420.28	2.50	-69.93
CC[N@@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413815	1	52	0.0	-72.42	420.29	2.50	-69.92
CC(C[NH+](C)C)C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413848	0	55	0.0	-74.42	438.31	2.86	-71.56
C[NH+](C)C1(C(=O)N2CC3(C2)CCC(NC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025413851	0	53	0.0	-80.15	426.84	2.73	-77.42
C[C@H](C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025413855	0	52	0.0	-71.92	420.70	2.22	-69.70
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413858	1	53	0.0	-69.65	426.91	2.42	-67.23
CC[N@H+]1CCC1C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413858	1	53	0.0	-70.38	426.25	2.44	-67.94
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413867	0	55	0.0	-75.35	421.03	2.74	-72.61
[N-]=[N+]=NCC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NC(=O)NN1)C2	REAL300025413916	0	43	0.0	-26.15	379.02	-2.66	-28.81
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413929	0	53	0.0	-71.02	425.20	2.67	-68.35
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413929	1	53	0.0	-74.04	421.72	2.32	-71.72
C[N@H+](CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025413966	0	53	0.0	-71.07	431.35	3.16	-67.91
C[N@@H+](CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025413966	1	53	0.0	-71.72	431.49	3.16	-68.56
C[NH+]1CC(CC(=O)N2CC3(C2)CCC(NC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025413994	0	53	0.0	-74.14	433.84	2.66	-71.48
C[NH+](C)CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025413997	0	49	0.0	-73.27	402.55	1.83	-71.44
C[C@@H](C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025414000	0	52	0.0	-71.38	419.99	2.20	-69.18
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025414009	1	53	0.0	-72.12	427.80	2.55	-69.57
CC1CC[N@H+]1CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025414009	1	53	0.0	-70.67	433.83	2.83	-67.84
C[NH+](C)CC=CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025414010	0	53	0.0	-77.37	438.27	3.02	-74.35
CC[NH+](CC)CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025414016	0	55	0.0	-71.04	438.65	3.17	-67.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2(CN(C(=O)C[NH+]3CCC3)C2)C1	REAL300025414017	1	50	0.0	-72.88	412.86	2.30	-70.58
CC(C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025414040	1	53	0.0	-72.41	424.62	2.47	-69.94
NC(=[NH2+])SCC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025414080	0	47	0.0	-78.17	410.80	-1.33	-79.50
C[N@@H+]1CCC[C@H]1C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025414112	0	53	0.0	-70.31	428.46	2.81	-67.50
C[N@H+]1CCC[C@H]1C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025414112	1	53	0.0	-74.85	422.25	2.35	-72.50
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1N1C=CC=N1	REAL300025414168	0	49	0.0	-68.26	408.09	1.18	-67.08
[N-]=[N+]=NCC(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@@H]1N1C=CC=N1	REAL300025414173	0	43	0.0	-22.12	385.28	-2.35	-24.47
[N-]=[N+]=NCC(=O)N1C[C@@H](NC(=O)CSC2=NC(=O)NN2)[C@@H](N2C=CC=N2)C1	REAL300025414238	0	43	0.0	-22.67	385.02	-3.26	-25.93
C[NH+](C)CC(=O)N1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](N2C=CC=N2)C1	REAL300025414247	0	49	0.0	-69.16	408.05	1.12	-68.04
CC(NC(=O)C1CCC[N@@H+]1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414410	0	50	0.0	-68.39	415.44	-1.33	-69.72
CC(NC(=O)C1CCC[N@H+]1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414410	1	50	0.0	-69.56	408.19	-1.95	-71.51
CC1=[NH+]C=CN1CC(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414559	1	48	0.0	-67.74	418.41	-0.87	-68.61
CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414575	0	53	0.0	-74.35	426.05	-1.38	-75.73
CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414575	1	53	0.0	-71.81	431.52	-0.89	-72.70
CC(NC(=O)C[N@H+](C)C1CCC1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414595	0	53	0.0	-69.90	435.69	-0.41	-70.31
CC(NC(=O)C[N@@H+](C)C1CCC1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414595	1	53	0.0	-69.20	435.20	-0.50	-69.70
CC(NC(=O)C1CC[NH+](C)CC1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414615	0	53	0.0	-74.22	433.86	-0.75	-74.97
CC1=C[NH+]=CN1CC(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414630	1	48	0.0	-70.95	418.29	-0.10	-71.05
CC(NC(=O)CC1CC[N@H+](C)C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414636	0	53	0.0	-73.48	435.69	-0.78	-74.26
CC(NC(=O)CC1CC[N@@H+](C)C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414636	1	53	0.0	-73.67	435.82	-0.82	-74.49
CCC(C(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025414639	0	52	0.0	-68.91	419.69	-1.54	-70.45
CCC[N@H+](C)CC(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414652	0	52	0.0	-71.69	428.80	-0.99	-72.68
CCC[N@@H+](C)CC(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414652	1	52	0.0	-71.11	428.21	-1.07	-72.18
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414663	0	50	0.0	-68.37	415.47	-1.34	-69.71
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414663	1	50	0.0	-70.39	409.28	-1.87	-72.26
CC[NH+](CC)CC(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414671	0	52	0.0	-69.38	420.57	-1.40	-70.78
CC(NC(=O)C1(C[NH+](C)C)CC1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414714	0	53	0.0	-71.76	439.93	-0.70	-72.46
CC(NC(=O)C1CC[NH+](C)CC1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414728	0	53	0.0	-74.22	433.86	-0.75	-74.97
CC[N@H+](C)CCC(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414749	0	52	0.0	-72.06	429.07	-1.29	-73.35
CC[N@@H+](C)CCC(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414749	1	52	0.0	-72.07	429.07	-1.27	-73.34
CC(NC(=O)C[N@@H+]1CCCC1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414755	0	53	0.0	-67.86	427.53	-1.12	-68.98
CC(NC(=O)C[N@H+]1CCCC1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414755	1	53	0.0	-68.38	427.73	-0.95	-69.33
CC(NC(=O)C[N@@H+]1CCC(C)C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414756	0	53	0.0	-71.01	434.97	-0.64	-71.65
CC(NC(=O)C[N@H+]1CCC(C)C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414756	1	53	0.0	-71.03	435.01	-0.58	-71.61
CC[C@@H](C(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025414758	0	52	0.0	-68.20	419.16	-1.45	-69.65
CC(NC(=O)C[NH+](C)C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414784	0	46	0.0	-71.50	388.98	-2.49	-73.99
CC(NC(=O)C[N+]1=CN(C)C=C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414785	0	48	0.0	-69.12	420.53	1.10	-68.02
CC(NC(=O)C1CCC[N@H+](C)C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414788	0	53	0.0	-71.21	433.34	-0.86	-72.07
CC(NC(=O)C1CCC[N@@H+](C)C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414788	1	53	0.0	-71.96	434.17	-0.79	-72.75
CC(NC(=O)C(C)[NH+]1CCC1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414794	1	50	0.0	-68.47	417.12	-1.41	-69.88
CC(NC(=O)C[N@H+](C)C1CC1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414802	0	50	0.0	-69.31	418.98	-0.99	-70.30
CC(NC(=O)C[N@@H+](C)C1CC1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414802	1	50	0.0	-68.44	418.24	-1.08	-69.52
CC(NC(=O)CC1C[NH+](C)C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414810	0	50	0.0	-72.40	421.02	-1.58	-73.98
CC(NC(=O)[C@H](C)[NH+](C)C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414821	0	49	0.0	-69.43	407.08	-2.08	-71.51
CC(NC(=O)CN=[N+]=[N-])C1(O)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025414828	0	40	0.0	-23.75	366.54	-6.80	-30.55
CC(NC(=O)[C@H](C)[NH+](C)C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414854	0	49	0.0	-69.43	407.08	-2.08	-71.51
CC(NC(=O)[C@H]1CCCC[N@@H+]1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414857	0	53	0.0	-68.02	430.93	-0.89	-68.91
CC(NC(=O)[C@H]1CCCC[N@H+]1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414857	1	53	0.0	-69.27	422.25	-0.97	-70.24
CC(NC(=O)C=C1CC[N@H+](C)C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414884	0	51	0.0	-74.46	428.14	-0.89	-75.35
CC(NC(=O)C=C1CC[N@@H+](C)C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414884	1	51	0.0	-73.92	426.14	-0.92	-74.84
CC(NC(=O)[C@@H](C)[NH+](C)C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414898	0	49	0.0	-69.45	407.11	-2.07	-71.52
CC(NC(=O)C[NH+]1CC(C)C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414911	1	50	0.0	-72.04	419.16	-1.19	-73.23
CC(NC(=O)C[N@H+](C)CCO)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414923	1	50	0.0	-71.41	417.06	-5.06	-76.47
CC(NC(=O)C[N@@H+](C)CCO)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414923	1	50	0.0	-71.81	417.44	-4.98	-76.79
CC[N@H+](C)CC(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414933	0	49	0.0	-71.25	407.30	-1.72	-72.97
CC[N@@H+](C)CC(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414933	1	49	0.0	-70.68	406.71	-1.81	-72.49
CC[N@H+](CC(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025414942	0	53	0.0	-68.28	438.77	-0.35	-68.63
CC[N@@H+](CC(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025414942	1	53	0.0	-68.29	435.34	-0.50	-68.79
CC(NC(=O)C=CC[NH+](C)C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414958	0	50	0.0	-75.43	426.80	-1.14	-76.57
CC[N@@H+]1CCC1C(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414972	1	50	0.0	-69.31	412.88	-1.64	-70.95
CC[N@H+]1CCC1C(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414972	1	50	0.0	-68.68	413.07	-1.84	-70.52
C=CCC(C(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025414988	0	53	0.0	-67.57	432.02	-1.03	-68.60
CC(NC(=O)C[NH+]1CC2CC2C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414995	0	51	0.0	-71.55	424.92	-0.52	-72.07
CC(NC(=O)C1CCCC[N@@H+]1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415007	0	53	0.0	-67.49	430.20	-0.88	-68.37
CC(NC(=O)C1CCCC[N@H+]1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415007	1	53	0.0	-68.46	420.86	-1.06	-69.52
CC(NC(=O)CC[NH+]1CCCC1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415035	0	53	0.0	-72.09	435.70	-0.89	-72.98
CC(C[NH+](C)C)C(=O)NC(C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415068	0	52	0.0	-71.82	427.40	-1.22	-73.04
CC(NC(=O)C(C)[NH+]1CC(C)C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415086	1	53	0.0	-68.21	437.73	-0.81	-69.02
CC(NC(=O)C[N@@H+]1CCC1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415087	1	50	0.0	-69.56	420.08	-1.39	-70.95
CC(NC(=O)C[N@H+]1CCC1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415087	1	50	0.0	-69.39	415.17	-1.55	-70.94
CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415111	0	53	0.0	-71.67	438.91	-0.63	-72.30
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300025415269	0	50	0.0	-74.11	408.54	-1.94	-76.05
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2CCC[N@H+]2C)C1	REAL300025415269	1	50	0.0	-67.62	413.74	-1.62	-69.24
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300025415436	0	53	0.0	-72.94	435.30	-0.91	-73.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300025415436	1	53	0.0	-76.64	436.07	-0.80	-77.44
CCC(C(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025415439	0	52	0.0	-69.07	422.67	-1.35	-70.42
CCC[N@H+](C)CC(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415451	0	52	0.0	-74.14	428.60	-0.98	-75.12
CCC[N@@H+](C)CC(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415451	1	52	0.0	-70.86	428.04	-1.11	-71.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300025415487	0	53	0.0	-77.36	438.44	-0.79	-78.15
CC[N@H+](C)CCC(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415492	0	52	0.0	-72.19	429.07	-1.29	-73.48
CC[N@@H+](C)CCC(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415492	1	52	0.0	-72.31	428.91	-1.30	-73.61
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025415514	0	53	0.0	-79.09	431.54	-0.98	-80.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300025415546	0	53	0.0	-70.20	418.97	-1.28	-71.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300025415568	0	53	0.0	-67.34	427.47	-1.18	-68.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300025415568	1	53	0.0	-67.42	426.92	-1.15	-68.57
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300025415585	0	53	0.0	-73.49	434.63	-0.71	-74.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300025415585	1	53	0.0	-73.43	435.40	-0.73	-74.16
CC[C@@H](C(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025415587	0	52	0.0	-73.36	423.17	-1.28	-74.64
CC1=[NH+]C=CN1CC(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415622	1	48	0.0	-70.54	418.97	-0.82	-71.36
CC1=C[NH+]=CN1CC(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415640	1	48	0.0	-73.92	419.13	-0.05	-73.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300025415641	0	53	0.0	-79.08	425.44	-1.45	-80.53
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300025415641	1	53	0.0	-75.86	428.21	-0.75	-76.61
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300025415668	0	53	0.0	-71.92	435.07	-0.34	-72.26
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300025415668	1	53	0.0	-68.92	434.96	-0.54	-69.46
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025415673	0	53	0.0	-79.09	431.54	-0.98	-80.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300025415685	0	50	0.0	-70.85	413.29	-1.49	-72.34
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300025415685	1	50	0.0	-69.03	408.01	-2.04	-71.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025415725	0	53	0.0	-72.24	419.47	-1.23	-73.47
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025415725	1	53	0.0	-67.58	417.40	-1.39	-68.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300025415753	0	53	0.0	-74.18	428.02	-1.34	-75.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300025415753	1	53	0.0	-74.28	423.61	-1.48	-75.76
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025415790	0	49	0.0	-73.14	406.85	-2.05	-75.19
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025415807	0	53	0.0	-71.64	437.31	-0.78	-72.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N@H+](C)CCO)C1	REAL300025415812	1	50	0.0	-71.49	416.89	-5.10	-76.59
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N@@H+](C)CCO)C1	REAL300025415812	1	50	0.0	-74.62	416.66	-4.88	-79.50
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[NH+]2CC(C)C2)C1	REAL300025415850	1	50	0.0	-70.82	419.52	-1.40	-72.22
CC[N@H+](C)CC(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415879	0	49	0.0	-73.73	406.57	-1.66	-75.39
CC[N@@H+](C)CC(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415879	1	49	0.0	-70.47	406.54	-1.86	-72.33
CC[N@H+](CC(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025415932	0	53	0.0	-67.18	437.40	-0.50	-67.68
CC[N@@H+](CC(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025415932	1	53	0.0	-67.83	435.21	-0.50	-68.33
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300025415944	0	51	0.0	-71.16	416.47	-1.42	-72.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300025415944	1	51	0.0	-70.89	417.02	-1.29	-72.18
CC(C[NH+](C)C)C(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415953	0	52	0.0	-72.30	424.76	-1.47	-73.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2([NH+](C)C)CC2)C1	REAL300025415959	0	50	0.0	-71.35	413.09	-1.61	-72.96
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300025415968	0	49	0.0	-71.81	407.82	-2.04	-73.85
CC[N@@H+]1CCC1C(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415971	1	50	0.0	-70.07	419.88	-1.54	-71.61
CC[N@H+]1CCC1C(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415971	1	50	0.0	-70.08	419.89	-1.53	-71.61
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300025415981	0	46	0.0	-75.28	395.93	-4.39	-79.67
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300025415987	0	52	0.0	-76.81	412.01	-1.35	-78.16
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025416048	0	51	0.0	-74.02	424.30	-0.45	-74.47
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025416054	0	53	0.0	-72.24	419.47	-1.23	-73.47
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025416054	1	53	0.0	-67.58	417.40	-1.39	-68.97
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300025416075	0	51	0.0	-74.43	427.38	-0.97	-75.40
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300025416075	1	51	0.0	-74.69	426.17	-0.95	-75.64
CC(NC(=O)CSC1=NC(=O)NN1)C1(O)CN(C(=O)CN=[N+]=[N-])C1	REAL300025416082	0	40	0.0	-24.71	365.93	-6.92	-31.63
CCC1C[NH+](CC(=O)N2CC(O)(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025416096	1	53	0.0	-75.23	441.28	-0.53	-75.76
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300025416101	0	50	0.0	-74.03	408.40	-1.96	-75.99
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300025416101	1	50	0.0	-71.42	414.43	-1.47	-72.89
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300025416134	0	53	0.0	-74.81	439.30	-0.70	-75.51
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300025416172	0	53	0.0	-69.90	430.71	-0.65	-70.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300025416173	0	53	0.0	-65.65	424.74	-0.84	-66.49
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300025416173	1	53	0.0	-65.75	424.84	-0.94	-66.69
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300025416174	0	48	0.0	-72.24	420.81	1.08	-71.16
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N@H+](C)C2CC2)C1	REAL300025416184	0	50	0.0	-68.54	418.23	-1.11	-69.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300025416184	1	50	0.0	-68.05	418.10	-1.11	-69.16
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)CC2C[NH+](C)C2)C1	REAL300025416233	0	50	0.0	-72.53	420.10	-1.71	-74.24
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[NH+](C)C)C1	REAL300025416239	0	46	0.0	-71.32	388.98	-2.52	-73.84
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025416247	0	49	0.0	-73.14	406.85	-2.05	-75.19
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300025416261	1	53	0.0	-67.84	440.54	-0.91	-68.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300025416262	1	50	0.0	-69.79	420.13	-1.46	-71.25
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[N@H+]2CCC2C)C1	REAL300025416262	1	50	0.0	-68.56	415.18	-1.66	-70.22
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C=CC[NH+](C)C)C1	REAL300025416264	0	50	0.0	-75.26	425.96	-1.28	-76.54
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300025416268	1	53	0.0	-70.46	439.35	-0.94	-71.40
CC[NH+](CC)CC(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025416280	0	52	0.0	-69.01	420.56	-1.45	-70.46
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C[NH+]2CCC2)C1	REAL300025416285	1	47	0.0	-70.94	398.91	-2.10	-73.04
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C(C)[NH+]2CCC2)C1	REAL300025416324	1	50	0.0	-72.12	415.15	-1.58	-73.70
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300025416345	0	53	0.0	-70.25	430.96	-0.85	-71.10
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300025416345	1	53	0.0	-67.93	417.72	-1.34	-69.27
C=CCC(C(=O)N1CC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025416364	0	53	0.0	-68.57	434.32	-0.91	-69.48
CC(NC(=O)CSC(N)=[NH2+])C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025416385	0	44	0.0	-72.84	398.10	-5.54	-78.38
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025416431	0	50	0.0	-70.50	409.59	-1.85	-72.35
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025416431	1	50	0.0	-67.32	413.92	-1.54	-68.86
CC(NC(=O)C[NH+]1CCCCC1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025416437	0	53	0.0	-71.09	431.68	-0.51	-71.60
CC(NC(=O)C1CC[N@H+](C)C1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025416440	0	53	0.0	-69.91	435.11	-0.84	-70.75
CC(NC(=O)C1CC[N@@H+](C)C1C)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025416440	1	53	0.0	-73.63	425.50	-1.48	-75.11
CN(CCCCN(C)C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416626	0	54	0.0	-71.50	434.44	4.35	-67.15
CN(CCCCN(C)C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416626	1	54	0.0	-70.74	434.26	4.32	-66.42
CC1=[NH+]C=CN1CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416777	1	52	0.0	-70.21	439.07	5.09	-65.12
C[C@@H]1[C@H](C(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025416795	0	57	0.0	-75.65	444.79	4.43	-71.22
C[C@@H]1[C@H](C(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025416795	1	57	0.0	-78.35	451.70	4.75	-73.60
CN(CCCCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416812	0	57	0.0	-78.65	441.47	4.71	-73.94
CN(CCCCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416822	0	57	0.0	-69.29	456.03	5.47	-63.82
CN(CCCCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416822	1	57	0.0	-70.96	455.86	5.46	-65.50
CN(CCCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416843	0	57	0.0	-80.61	450.91	4.96	-75.65
CN(CCCCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416849	0	57	0.0	-70.93	438.06	4.58	-66.35
CN(CCCCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416849	1	57	0.0	-69.70	448.87	5.00	-64.70
CC1=C[NH+]=CN1CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416866	1	52	0.0	-72.92	438.35	5.79	-67.13
CN(CCCCN(C)C(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416875	0	57	0.0	-75.27	456.35	5.14	-70.13
CN(CCCCN(C)C(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416875	1	57	0.0	-78.27	456.17	5.13	-73.14
CCC(C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025416878	0	56	0.0	-69.83	437.38	4.39	-65.44
CCC[N@H+](C)CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416894	0	56	0.0	-71.39	448.59	4.88	-66.51
CCC[N@@H+](C)CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416894	1	56	0.0	-73.13	448.86	4.89	-68.24
CN(CCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416908	0	54	0.0	-68.63	432.32	4.36	-64.27
CN(CCCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416908	1	54	0.0	-72.67	428.46	4.03	-68.64
CC[NH+](CC)CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416920	0	56	0.0	-71.55	445.46	4.85	-66.70
CN(CCCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416972	0	57	0.0	-71.34	457.34	5.09	-66.25
CN(CCCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025416993	0	57	0.0	-80.61	450.91	4.96	-75.65
CC[N@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417030	0	56	0.0	-76.35	449.74	4.76	-71.59
CC[N@@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417030	1	56	0.0	-76.31	449.74	4.75	-71.56
CC1CCC[N@@H+]1CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417038	0	57	0.0	-70.03	455.94	5.17	-64.86
CC1CCC[N@H+]1CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417038	1	57	0.0	-67.91	448.34	4.87	-63.04
CC1CC[N@H+](CC(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025417039	0	57	0.0	-72.66	455.17	5.26	-67.40
CC1CC[N@@H+](CC(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025417039	1	57	0.0	-70.50	455.99	5.24	-65.26
CC[C@@H](C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025417041	0	56	0.0	-69.82	437.37	4.39	-65.43
CN(CCCCN(C)C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417072	0	50	0.0	-71.76	409.91	3.50	-68.26
CN(CCCCN(C)C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417073	0	52	0.0	-71.31	440.87	7.00	-64.31
CN(CCCCN(C)C(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417076	0	57	0.0	-66.43	443.08	5.03	-61.40
CN(CCCCN(C)C(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417076	1	57	0.0	-66.15	443.38	5.05	-61.10
CC(C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025417083	0	54	0.0	-71.38	435.58	4.39	-66.99
CN(CCCCN(C)C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417091	0	54	0.0	-70.05	438.91	4.89	-65.16
CN(CCCCN(C)C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417091	1	54	0.0	-70.10	438.90	4.90	-65.20
CN(CCCCN(C)C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417101	0	54	0.0	-73.24	441.35	4.35	-68.89
C[C@@H](C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025417112	0	53	0.0	-71.95	426.18	3.89	-68.06
CN(CCCCN(C)C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300025417119	0	44	0.0	-23.19	386.87	-0.90	-24.09
C[C@@H](C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025417150	0	53	0.0	-71.95	426.18	3.89	-68.06
CN(CCCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417153	0	57	0.0	-67.97	450.03	5.07	-62.90
CN(CCCCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417153	1	57	0.0	-70.77	442.17	4.75	-66.02
CN(CCCCN(C)C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417178	1	51	0.0	-73.74	419.74	3.90	-69.84
CN(CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300025417185	0	55	0.0	-78.85	447.66	5.04	-73.81
CN(CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300025417185	1	55	0.0	-76.42	446.44	5.04	-71.38
C[C@H](C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025417202	0	53	0.0	-71.87	426.14	3.83	-68.04
CC1C[NH+](CC(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025417216	1	54	0.0	-73.58	440.91	4.57	-69.01
CN(CCCCN(C)C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417229	1	54	0.0	-73.95	437.72	0.92	-73.03
CN(CCCCN(C)C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417229	1	54	0.0	-71.64	437.22	0.89	-70.75
CC[N@H+](C)CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417241	0	53	0.0	-72.87	427.37	4.15	-68.72
CC[N@@H+](C)CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417241	1	53	0.0	-72.85	427.37	4.15	-68.70
CC[N@H+](CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025417251	0	57	0.0	-69.23	454.88	5.29	-63.94
CC[N@@H+](CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025417251	1	57	0.0	-70.41	456.14	5.50	-64.91
CN(CCCCN(C)C(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417263	1	57	0.0	-73.75	460.05	5.05	-68.70
CN(CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300025417270	0	54	0.0	-80.05	444.78	4.72	-75.33
CC[N@@H+]1CCC1C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417287	0	54	0.0	-70.77	440.55	4.41	-66.36
CC[N@H+]1CCC1C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417287	1	54	0.0	-70.69	440.04	4.38	-66.31
C=CCC(C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025417306	0	57	0.0	-69.08	450.83	4.88	-64.20
CN(CCCCN(C)C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417313	0	55	0.0	-73.40	444.98	5.36	-68.04
CN(CCCCN(C)C(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417318	0	56	0.0	-71.86	428.59	4.53	-67.33
CN(CCCCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417328	0	57	0.0	-70.93	438.06	4.58	-66.35
CN(CCCCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417328	1	57	0.0	-69.70	448.87	5.00	-64.70
CN(CCCCN(C)C(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417360	0	54	0.0	-72.48	431.04	4.18	-68.30
CN(CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300025417361	0	57	0.0	-75.76	457.97	5.24	-70.52
CN(CCCCN(C)C(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417371	0	55	0.0	-78.40	435.66	4.74	-73.66
CN(CCCCN(C)C(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417371	1	55	0.0	-78.24	435.82	4.79	-73.45
CC(C[NH+](C)C)C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417405	0	56	0.0	-76.34	443.13	4.50	-71.84
CC(C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025417424	0	57	0.0	-71.13	451.27	4.79	-66.34
CC1CC[N@@H+]1CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417425	0	54	0.0	-69.05	436.28	4.38	-64.67
CC1CC[N@H+]1CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417425	1	54	0.0	-69.16	435.68	4.30	-64.86
CN(CCCCN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417453	0	57	0.0	-73.59	458.43	5.21	-68.38
CN(CCCCN(C)C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417613	0	54	0.0	-71.50	434.44	4.35	-67.15
CN(CCCCN(C)C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417613	1	54	0.0	-70.74	434.26	4.32	-66.42
CN(CCCCN(C)C(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417780	0	57	0.0	-75.27	456.35	5.14	-70.13
CN(CCCCN(C)C(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417780	1	57	0.0	-78.27	456.17	5.13	-73.14
CCC(C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025417783	0	56	0.0	-69.83	437.38	4.39	-65.44
CCC[N@H+](C)CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417795	0	56	0.0	-71.39	448.59	4.88	-66.51
CCC[N@@H+](C)CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417795	1	56	0.0	-73.13	448.86	4.89	-68.24
CN(CCCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417831	0	57	0.0	-71.34	457.34	5.09	-66.25
CC[N@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417836	0	56	0.0	-76.35	449.74	4.76	-71.59
CC[N@@H+](C)CCC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417836	1	56	0.0	-76.31	449.74	4.75	-71.56
CN(CCCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417858	0	57	0.0	-80.61	450.91	4.96	-75.65
CN(CCCCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417890	0	57	0.0	-78.65	441.47	4.71	-73.94
CC1CCC[N@@H+]1CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417912	0	57	0.0	-70.03	455.94	5.17	-64.86
CC1CCC[N@H+]1CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417912	1	57	0.0	-67.91	448.34	4.87	-63.04
CC1CC[N@H+](CC(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025417929	0	57	0.0	-72.66	455.17	5.26	-67.40
CC1CC[N@@H+](CC(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025417929	1	57	0.0	-70.50	455.99	5.24	-65.26
CC[C@@H](C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025417931	0	56	0.0	-69.82	437.37	4.39	-65.43
CC1=[NH+]C=CN1CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417966	1	52	0.0	-70.21	439.07	5.09	-65.12
CC1=C[NH+]=CN1CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417984	1	52	0.0	-72.92	438.35	5.79	-67.13
C[C@@H]1[C@H](C(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025417985	0	57	0.0	-75.65	444.79	4.43	-71.22
C[C@@H]1[C@H](C(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025417985	1	57	0.0	-78.35	451.70	4.75	-73.60
CN(CCCCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418012	0	57	0.0	-69.29	456.03	5.47	-63.82
CN(CCCCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418012	1	57	0.0	-70.96	455.86	5.46	-65.50
CN(CCCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418017	0	57	0.0	-80.61	450.91	4.96	-75.65
CN(CCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418029	0	54	0.0	-68.63	432.32	4.36	-64.27
CN(CCCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418029	1	54	0.0	-72.67	428.46	4.03	-68.64
CN(CCCCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418069	0	57	0.0	-70.93	438.06	4.58	-66.35
CN(CCCCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418069	1	57	0.0	-69.70	448.87	5.00	-64.70
CC1C(C(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025418097	0	57	0.0	-73.95	447.27	4.56	-69.39
CC1C(C(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025418097	1	57	0.0	-73.64	446.58	4.79	-68.85
C[C@@H](C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025418134	0	53	0.0	-71.95	426.18	3.89	-68.06
CN(CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300025418151	0	57	0.0	-75.76	457.97	5.24	-70.52
CN(CCCCN(C)C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418156	1	54	0.0	-73.95	437.72	0.92	-73.03
CN(CCCCN(C)C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418156	1	54	0.0	-71.64	437.22	0.89	-70.75
CC1C[NH+](CC(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025418194	1	54	0.0	-73.58	440.91	4.57	-69.01
CC[N@H+](C)CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418223	0	53	0.0	-72.87	427.37	4.15	-68.72
CC[N@@H+](C)CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418223	1	53	0.0	-72.85	427.37	4.15	-68.70
CC[N@H+](CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025418276	0	57	0.0	-69.23	454.88	5.29	-63.94
CC[N@@H+](CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025418276	1	57	0.0	-70.41	456.14	5.50	-64.91
CN(CCCCN(C)C(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418288	0	55	0.0	-78.40	435.66	4.74	-73.66
CN(CCCCN(C)C(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418288	1	55	0.0	-78.24	435.82	4.79	-73.45
CC(C[NH+](C)C)C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418297	0	56	0.0	-76.34	443.13	4.50	-71.84
CN(CCCCN(C)C(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418303	0	54	0.0	-72.48	431.04	4.18	-68.30
C[C@H](C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025418312	0	53	0.0	-71.87	426.14	3.83	-68.04
CC[N@@H+]1CCC1C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418315	0	54	0.0	-70.77	440.55	4.41	-66.36
CC[N@H+]1CCC1C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418315	1	54	0.0	-70.69	440.04	4.38	-66.31
CN(CCCCN(C)C(=O)C1=C[NH+]=CC=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418325	0	50	0.0	-76.62	419.08	1.41	-75.21
CN(CCCCN(C)C(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418331	0	56	0.0	-71.86	428.59	4.53	-67.33
CN(CCCCN(C)C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418392	0	55	0.0	-73.40	444.98	5.36	-68.04
CN(CCCCN(C)C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418398	0	57	0.0	-70.93	438.06	4.58	-66.35
CN(CCCCN(C)C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418398	1	57	0.0	-69.70	448.87	5.00	-64.70
CN(CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300025418419	0	55	0.0	-78.85	447.66	5.04	-73.81
CN(CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300025418419	1	55	0.0	-76.42	446.44	5.04	-71.38
CN(CCCCN(C)C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300025418426	0	44	0.0	-23.19	386.87	-0.90	-24.09
CCC1C[NH+](CC(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025418440	0	57	0.0	-74.47	462.30	5.33	-69.14
CN(CCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418445	0	54	0.0	-73.05	428.69	4.01	-69.04
CN(CCCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418445	1	54	0.0	-69.91	432.01	4.31	-65.60
CN(CCCCN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418478	0	57	0.0	-73.59	458.43	5.21	-68.38
CN(CCCCN(C)C(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418516	0	57	0.0	-73.00	451.47	5.36	-67.64
CN(CCCCN(C)C(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418517	0	57	0.0	-66.43	443.08	5.03	-61.40
CN(CCCCN(C)C(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418517	1	57	0.0	-66.15	443.38	5.05	-61.10
CN(CCCCN(C)C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418518	0	52	0.0	-71.31	440.87	7.00	-64.31
CN(CCCCN(C)C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418528	0	54	0.0	-70.05	438.91	4.89	-65.16
CN(CCCCN(C)C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418528	1	54	0.0	-70.10	438.90	4.90	-65.20
CN(CCCCN(C)C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418577	0	54	0.0	-73.24	441.35	4.35	-68.89
CN(CCCCN(C)C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418583	0	50	0.0	-71.76	409.91	3.50	-68.26
C[C@@H](C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025418591	0	53	0.0	-71.95	426.18	3.89	-68.06
CC(C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025418605	0	57	0.0	-71.13	451.27	4.79	-66.34
CC1CC[N@@H+]1CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418606	0	54	0.0	-69.05	436.28	4.38	-64.67
CC1CC[N@H+]1CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418606	1	54	0.0	-69.16	435.68	4.30	-64.86
CN(CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300025418608	0	54	0.0	-80.05	444.78	4.72	-75.33
CN(CCCCN(C)C(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418612	1	57	0.0	-73.75	460.05	5.05	-68.70
CC[NH+](CC)CC(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418624	0	56	0.0	-71.55	445.46	4.85	-66.70
CN(CCCCN(C)C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418629	1	51	0.0	-73.74	419.74	3.90	-69.84
CC(C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025418668	0	54	0.0	-71.38	435.58	4.39	-66.99
CN(CCCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418689	0	57	0.0	-67.97	450.03	5.07	-62.90
CN(CCCCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418689	1	57	0.0	-70.77	442.17	4.75	-66.02
C=CCC(C(=O)N(C)CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025418708	0	57	0.0	-69.08	450.83	4.88	-64.20
CN(CCCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300025418729	0	48	0.0	-73.67	417.83	0.52	-73.15
CCC1C[NH+](CC(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025418778	0	57	0.0	-74.47	462.30	5.33	-69.14
CN(CCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418782	0	54	0.0	-73.05	428.69	4.01	-69.04
CN(CCCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418782	1	54	0.0	-69.91	432.01	4.31	-65.60
CN(CCCCN(C)C(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418788	0	57	0.0	-73.00	451.47	5.36	-67.64
CC1C(C(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025418792	0	57	0.0	-73.95	447.27	4.56	-69.39
CC1C(C(=O)N(C)CCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025418792	1	57	0.0	-73.64	446.58	4.79	-68.85
C[N@@H+]1CCCC1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025418985	0	47	0.0	-67.54	405.03	1.78	-65.76
C[N@H+]1CCCC1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025418985	1	47	0.0	-73.52	399.03	1.21	-72.31
CC1=[NH+]C=CN1CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419136	1	45	0.0	-66.49	408.51	2.39	-64.10
C[C@@H]1[C@H](C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025419154	0	50	0.0	-73.11	415.61	1.74	-71.37
C[C@@H]1[C@H](C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025419154	1	50	0.0	-72.15	422.12	2.05	-70.10
C[NH+](C)C1(C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025419171	0	50	0.0	-70.62	409.92	2.30	-68.32
C[N@H+](CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025419181	0	50	0.0	-72.70	425.30	2.66	-70.04
C[N@@H+](CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025419181	1	50	0.0	-68.68	425.19	2.75	-65.93
C[NH+]1CCC(C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025419202	0	50	0.0	-78.16	423.66	2.33	-75.83
C[N@@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419208	0	50	0.0	-67.54	411.71	2.19	-65.35
C[N@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419208	1	50	0.0	-72.12	411.67	2.09	-70.03
CC1=C[NH+]=CN1CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419225	1	45	0.0	-70.09	408.84	3.12	-66.97
C[N@@H+]1CCC(CC(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025419234	0	50	0.0	-75.86	425.91	2.23	-73.63
C[N@H+]1CCC(CC(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025419234	1	50	0.0	-76.68	425.43	2.26	-74.42
CCC(C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025419237	0	49	0.0	-71.52	409.31	1.70	-69.82
CCC[N@H+](C)CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419253	0	49	0.0	-74.84	418.31	2.09	-72.75
CCC[N@@H+](C)CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419253	1	49	0.0	-70.26	418.30	2.18	-68.08
C[N@@H+]1CCC[C@@H]1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419267	0	47	0.0	-67.90	399.07	1.32	-66.58
C[N@H+]1CCC[C@@H]1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419267	1	47	0.0	-66.50	405.54	1.78	-64.72
CC[NH+](CC)CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419279	0	49	0.0	-73.00	415.17	2.04	-70.96
C[NH+](C)CC1(C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025419331	0	50	0.0	-71.94	430.72	2.53	-69.41
C[NH+]1CCC(C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025419352	0	50	0.0	-78.16	423.66	2.33	-75.83
CC[N@H+](C)CCC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419389	0	49	0.0	-71.09	419.17	1.99	-69.10
CC[N@@H+](C)CCC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419389	1	49	0.0	-71.00	419.19	1.99	-69.01
CC1CCC[N@@H+]1CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419397	0	50	0.0	-67.11	417.78	2.15	-64.96
CC1CCC[N@H+]1CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419397	1	50	0.0	-72.17	424.19	2.44	-69.73
CC1CC[N@H+](CC(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025419398	0	50	0.0	-69.48	424.29	2.51	-66.97
CC1CC[N@@H+](CC(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025419398	1	50	0.0	-69.16	424.42	2.46	-66.70
CC[C@@H](C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025419400	0	49	0.0	-69.05	413.32	2.36	-66.69
C[NH+](C)CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419431	0	43	0.0	-75.05	379.08	0.68	-74.37
CN1C=C[N+](CC(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025419432	0	45	0.0	-72.23	410.31	4.19	-68.04
C[N@@H+]1CCCC(C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025419435	0	50	0.0	-70.11	423.67	2.39	-67.72
C[N@H+]1CCCC(C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025419435	1	50	0.0	-65.77	417.38	2.60	-63.17
CC(C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025419442	1	47	0.0	-73.02	409.08	1.61	-71.41
C[N@H+](CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025419450	0	47	0.0	-67.33	408.36	2.18	-65.15
C[N@@H+](CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025419450	1	47	0.0	-67.68	408.34	2.18	-65.50
C[NH+]1CC(CC(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025419460	0	47	0.0	-71.43	410.51	1.60	-69.83
C[C@@H](C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025419471	0	46	0.0	-72.90	397.19	1.07	-71.83
[N-]=[N+]=NCC(=O)NCC(F)=C1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025419478	1	37	0.0	-25.21	356.04	-3.73	-28.94
C[C@@H](C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025419509	0	46	0.0	-72.90	397.19	1.07	-71.83
C[N@@H+]1CCCC[C@@H]1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419512	0	50	0.0	-72.35	411.68	2.09	-70.26
C[N@H+]1CCCC[C@@H]1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419512	1	50	0.0	-71.36	420.98	2.26	-69.10
C[N@@H+]1CCC(=CC(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025419544	0	48	0.0	-73.43	417.92	2.31	-71.12
C[N@H+]1CCC(=CC(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025419544	1	48	0.0	-72.98	417.92	2.31	-70.67
C[C@H](C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025419561	0	46	0.0	-67.87	397.09	1.18	-66.69
C[N@H+](CCO)CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419588	1	47	0.0	-71.05	407.15	-1.79	-72.84
C[N@@H+](CCO)CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419588	1	47	0.0	-75.10	406.94	-1.90	-77.00
CC[N@H+](C)CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419600	0	46	0.0	-69.78	396.80	1.44	-68.34
CC[N@@H+](C)CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419600	1	46	0.0	-74.47	396.81	1.34	-73.13
CC[N@H+](CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025419610	0	50	0.0	-66.62	424.32	2.58	-64.04
CC[N@@H+](CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025419610	1	50	0.0	-66.67	424.02	2.53	-64.14
C[NH+](C)CC=CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419629	0	47	0.0	-78.20	416.31	1.92	-76.28
CC[N@@H+]1CCC1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419646	1	47	0.0	-67.91	403.94	1.50	-66.41
CC[N@H+]1CCC1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419646	1	47	0.0	-68.61	402.21	1.31	-67.30
C=CCC(C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025419665	0	50	0.0	-71.08	422.12	2.12	-68.96
O=C(C[NH+]1CC2CC2C1)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419672	0	48	0.0	-74.91	414.41	2.56	-72.35
C[NH+](C)C(C)(C)C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419677	0	49	0.0	-77.31	406.78	1.79	-75.52
C[N@@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419687	0	50	0.0	-67.54	411.71	2.19	-65.35
C[N@H+]1CCCCC1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419687	1	50	0.0	-72.12	411.67	2.09	-70.03
C[NH+](C)C1(C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025419719	0	47	0.0	-71.87	405.67	1.44	-70.43
O=C(CC[NH+]1CCCC1)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419720	0	50	0.0	-70.71	427.42	2.50	-68.21
C[N@@H+]1CC2CC1(C(=O)NCC(F)=C1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025419730	1	48	0.0	-69.15	411.51	1.91	-67.24
C[N@H+]1CC2CC1(C(=O)NCC(F)=C1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025419730	1	48	0.0	-76.35	409.10	2.04	-74.31
CC(C[NH+](C)C)C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419764	0	49	0.0	-75.52	417.49	1.97	-73.55
CC(C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025419783	1	50	0.0	-67.71	426.69	2.51	-65.20
CC1CC[N@@H+]1CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419784	1	47	0.0	-67.96	404.92	1.59	-66.37
CC1CC[N@H+]1CC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419784	1	47	0.0	-73.52	410.36	1.75	-71.77
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025419812	0	50	0.0	-68.62	428.58	2.50	-66.12
C[N@@H+]1CCCC1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419972	0	47	0.0	-68.38	398.05	1.24	-67.14
C[N@H+]1CCCC1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025419972	1	47	0.0	-69.23	400.48	1.57	-67.66
C[N@@H+]1CCC(CC(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420139	0	50	0.0	-74.79	425.07	2.26	-72.53
C[N@H+]1CCC(CC(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420139	1	50	0.0	-75.43	425.44	2.26	-73.17
CCC(C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025420142	0	49	0.0	-67.29	409.34	1.70	-65.59
CCC[N@H+](C)CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420154	0	49	0.0	-70.83	418.30	2.17	-68.66
CCC[N@@H+](C)CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420154	1	49	0.0	-71.00	418.30	2.17	-68.83
C[NH+](C)CC1(C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025420190	0	50	0.0	-75.40	427.86	2.35	-73.05
CC[N@H+](C)CCC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420195	0	49	0.0	-72.39	419.17	1.98	-70.41
CC[N@@H+](C)CCC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420195	1	49	0.0	-72.27	419.20	1.99	-70.28
C[NH+]1CCC(C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025420217	0	50	0.0	-77.51	424.04	2.30	-75.21
C[NH+](C)C1(C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025420249	0	50	0.0	-73.18	410.31	1.88	-71.30
CC1CCC[N@@H+]1CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420271	0	50	0.0	-67.57	417.73	2.13	-65.44
CC1CCC[N@H+]1CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420271	1	50	0.0	-68.78	417.77	2.02	-66.76
CC1CC[N@H+](CC(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420288	0	50	0.0	-70.12	425.20	2.48	-67.64
CC1CC[N@@H+](CC(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420288	1	50	0.0	-71.40	425.17	2.40	-69.00
CC[C@@H](C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025420290	0	49	0.0	-70.07	411.48	1.88	-68.19
CC1=[NH+]C=CN1CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420325	1	45	0.0	-67.65	408.46	2.36	-65.29
CC1=C[NH+]=CN1CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420343	1	45	0.0	-71.39	408.83	3.10	-68.29
C[C@@H]1[C@H](C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025420344	0	50	0.0	-75.38	415.39	1.71	-73.67
C[C@@H]1[C@H](C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025420344	1	50	0.0	-74.28	421.81	1.98	-72.30
C[N@H+](CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025420371	0	50	0.0	-68.45	425.29	2.75	-65.70
C[N@@H+](CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025420371	1	50	0.0	-69.31	425.19	2.74	-66.57
C[NH+]1CCC(C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025420376	0	50	0.0	-77.51	424.04	2.30	-75.21
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420388	0	47	0.0	-71.47	398.27	1.14	-70.33
C[N@H+]1CCC[C@@H]1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420388	1	47	0.0	-69.34	403.10	1.62	-67.72
C[N@@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420428	0	50	0.0	-68.42	420.66	2.33	-66.09
C[N@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420428	1	50	0.0	-66.38	420.39	2.32	-64.06
CC1C(C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025420456	0	50	0.0	-73.38	420.45	2.21	-71.17
CC1C(C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025420456	1	50	0.0	-74.45	422.05	1.94	-72.51
C[C@@H](C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025420493	0	46	0.0	-70.45	396.64	1.04	-69.41
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025420510	0	50	0.0	-71.94	427.40	2.49	-69.45
C[N@H+](CCO)CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420515	1	47	0.0	-72.68	407.11	-1.90	-74.58
C[N@@H+](CCO)CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420515	1	47	0.0	-70.79	406.94	-1.80	-72.59
CC1C[NH+](CC(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420553	1	47	0.0	-70.94	410.36	1.85	-69.09
CC[N@H+](C)CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420582	0	46	0.0	-70.50	396.80	1.43	-69.07
CC[N@@H+](C)CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420582	1	46	0.0	-70.53	396.80	1.43	-69.10
CC[N@H+](CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025420635	0	50	0.0	-67.03	427.66	2.78	-64.25
CC[N@@H+](CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025420635	1	50	0.0	-69.05	420.42	2.67	-66.38
C[N@@H+]1CC2CC1(C(=O)N1CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025420647	0	48	0.0	-70.32	406.50	1.96	-68.36
C[N@H+]1CC2CC1(C(=O)N1CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025420647	1	48	0.0	-73.73	406.16	1.86	-71.87
CC(C[NH+](C)C)C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420656	0	49	0.0	-72.49	416.66	1.84	-70.65
C[NH+](C)C1(C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025420662	0	47	0.0	-70.06	405.64	1.51	-68.55
C[C@H](C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025420671	0	46	0.0	-71.10	397.30	1.05	-70.05
CC[N@@H+]1CCC1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420674	0	47	0.0	-71.66	410.77	1.62	-70.04
CC[N@H+]1CCC1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420674	1	47	0.0	-68.80	403.08	1.37	-67.43
NC1=CC=[NH+]C=C1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420684	0	43	0.0	-72.14	387.02	-1.26	-73.40
C[NH+](C)C(C)(C)C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420690	0	49	0.0	-74.09	401.94	1.73	-72.36
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025420751	0	48	0.0	-72.09	414.49	2.54	-69.55
C[N@@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420757	0	50	0.0	-68.42	420.66	2.33	-66.09
C[N@H+]1CCCCC1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420757	1	50	0.0	-66.38	420.39	2.32	-64.06
C[N@@H+]1CCC(=CC(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420778	0	48	0.0	-74.56	416.75	2.32	-72.24
C[N@H+]1CCC(=CC(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420778	1	48	0.0	-74.18	417.72	2.30	-71.88
[N-]=[N+]=NCC(=O)N1CC(=C(F)CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025420785	1	37	0.0	-26.85	355.99	-3.74	-30.59
CCC1C[NH+](CC(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420799	0	50	0.0	-71.83	431.52	2.57	-69.26
C[N@@H+]1CCC[C@H]1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420804	0	47	0.0	-68.13	401.59	1.65	-66.48
C[N@H+]1CCC[C@H]1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420804	1	47	0.0	-70.90	398.23	1.25	-69.65
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420837	0	50	0.0	-72.91	428.61	2.37	-70.54
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)C[NH+]2CCCCC2)C1	REAL300025420875	0	50	0.0	-70.09	420.80	2.62	-67.47
C[N@@H+]1CCCC(C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420876	0	50	0.0	-73.05	419.05	2.06	-70.99
C[N@H+]1CCCC(C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420876	1	50	0.0	-72.95	421.32	2.07	-70.88
CN1C=C[N+](CC(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025420877	0	45	0.0	-69.52	410.30	4.28	-65.24
C[N@H+](CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025420887	0	47	0.0	-67.84	408.38	2.17	-65.67
C[N@@H+](CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025420887	1	47	0.0	-68.65	408.49	2.18	-66.47
C[NH+]1CC(CC(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420936	0	47	0.0	-73.57	410.32	1.48	-72.09
C[NH+](C)CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420942	0	43	0.0	-71.30	379.07	0.76	-70.54
C[C@@H](C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025420950	0	46	0.0	-70.45	396.64	1.04	-69.41
CC(C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025420964	0	50	0.0	-67.90	425.17	2.15	-65.75
CC1CC[N@@H+]1CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420965	0	47	0.0	-68.66	404.86	1.58	-67.08
CC1CC[N@H+]1CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420965	1	47	0.0	-70.68	410.37	1.78	-68.90
C[NH+](C)CC=CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420967	0	47	0.0	-75.78	416.09	2.00	-73.78
CC1(C)C[NH+](CC(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025420971	1	50	0.0	-70.99	429.65	2.38	-68.61
CC[NH+](CC)CC(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025420983	0	49	0.0	-70.43	415.05	1.99	-68.44
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)C[NH+]2CCC2)C1	REAL300025420988	1	44	0.0	-70.89	389.17	1.18	-69.71
CC(C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025421027	0	47	0.0	-69.51	404.50	1.46	-68.05
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025421048	0	50	0.0	-67.95	409.25	1.93	-66.02
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025421048	1	50	0.0	-66.36	420.39	2.32	-64.04
C=CCC(C(=O)N1CC(=C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025421067	0	50	0.0	-68.56	425.71	2.41	-66.15
NC(=[NH2+])SCC(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025421088	0	41	0.0	-76.25	387.60	-2.45	-78.70
CCC1C[NH+](CC(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025421137	1	50	0.0	-70.76	431.73	2.63	-68.13
C[N@@H+]1CCC[C@H]1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025421141	0	47	0.0	-67.48	404.98	1.82	-65.66
C[N@H+]1CCC[C@H]1C(=O)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025421141	1	47	0.0	-69.93	399.07	1.32	-68.61
O=C(C[NH+]1CCCCC1)NCC(F)=C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025421147	0	50	0.0	-69.57	421.18	2.66	-66.91
CC1C(C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025421151	0	50	0.0	-68.59	421.18	2.25	-66.34
CC1C(C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025421151	1	50	0.0	-70.92	415.81	1.79	-69.13
C[N@@H+]1CCCC1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421290	0	55	0.0	-60.55	426.96	3.08	-57.47
C[N@H+]1CCCC1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421290	1	55	0.0	-61.15	427.64	3.19	-57.96
CCC(C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025421390	0	57	0.0	-61.13	431.24	3.15	-57.98
CCC[N@H+](C)CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421395	0	57	0.0	-63.59	440.54	3.53	-60.06
CCC[N@@H+](C)CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421395	1	57	0.0	-63.65	440.54	3.52	-60.13
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421403	0	55	0.0	-62.53	421.29	2.67	-59.86
C[N@H+]1CCC[C@@H]1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421403	1	55	0.0	-61.14	426.48	3.19	-57.95
CC[NH+](CC)CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421408	0	57	0.0	-61.96	432.15	3.19	-58.77
CC[N@H+](C)CCC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421464	0	57	0.0	-65.82	441.58	3.33	-62.49
CC[N@@H+](C)CCC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421464	1	57	0.0	-65.79	441.58	3.34	-62.45
CC[C@@H](C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025421467	0	57	0.0	-61.31	431.15	3.16	-58.15
C[NH+](C)CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421485	0	51	0.0	-64.27	401.49	2.12	-62.15
CC(C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025421489	1	55	0.0	-61.53	428.50	3.17	-58.36
C[N@H+](CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025421495	0	55	0.0	-60.97	430.75	3.53	-57.44
C[N@@H+](CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025421495	1	55	0.0	-61.37	430.89	3.53	-57.84
C[NH+]1CC(CC(=O)NCCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025421501	0	55	0.0	-66.49	432.93	2.95	-63.54
C[C@@H](C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025421508	0	54	0.0	-62.35	419.47	2.52	-59.83
[N-]=[N+]=NCC(=O)NCCC1CCCCN1C(=O)CSC1=NC(=O)NN1	REAL300025421511	0	45	0.0	-21.30	378.45	-2.28	-23.58
C[C@@H](C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025421529	0	54	0.0	-62.35	419.47	2.52	-59.83
O=C(C[NH+]1CCC1)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421547	1	52	0.0	-63.85	411.41	2.54	-61.31
C[C@H](C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025421558	0	54	0.0	-62.36	419.19	2.51	-59.85
CC1C[NH+](CC(=O)NCCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025421564	1	55	0.0	-63.84	431.57	3.28	-60.56
CC[N@H+](C)CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421581	0	54	0.0	-63.26	419.05	2.78	-60.48
CC[N@@H+](C)CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421581	1	54	0.0	-63.27	419.04	2.78	-60.49
C[NH+](C)CC=CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421597	0	55	0.0	-69.67	438.71	3.38	-66.29
CC[N@@H+]1CCC1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421603	1	55	0.0	-61.53	426.17	2.84	-58.69
CC[N@H+]1CCC1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421603	1	55	0.0	-62.39	433.07	3.15	-59.24
C[NH+](C)C(C)(C)C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421616	0	57	0.0	-62.52	428.59	3.32	-59.20
C[NH+](C)C1(C(=O)NCCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025421638	0	55	0.0	-63.32	427.58	2.73	-60.59
CC(C[NH+](C)C)C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421660	0	57	0.0	-66.03	439.89	3.40	-62.63
CC1CC[N@@H+]1CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421669	1	55	0.0	-61.75	426.67	2.93	-58.82
CC1CC[N@H+]1CC(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025421669	1	55	0.0	-62.45	432.69	3.20	-59.25
C[N@@H+]1CCCC1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025421778	0	55	0.0	-71.06	420.40	2.54	-68.52
C[N@H+]1CCCC1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025421778	1	55	0.0	-71.40	419.86	2.55	-68.85
CCC(C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025421849	0	57	0.0	-68.49	426.98	2.90	-65.59
CCC[N@H+](C)CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025421852	0	57	0.0	-72.45	440.55	3.43	-69.02
CCC[N@@H+](C)CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025421852	1	57	0.0	-72.54	440.11	3.43	-69.11
CC[N@H+](C)CCC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025421868	0	57	0.0	-73.56	440.98	3.30	-70.26
CC[N@@H+](C)CCC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025421868	1	57	0.0	-73.52	441.58	3.31	-70.21
CC[C@@H](C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025421893	0	57	0.0	-70.02	430.74	3.05	-66.97
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025421930	0	55	0.0	-70.28	419.70	2.55	-67.73
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025421930	1	55	0.0	-68.84	423.57	2.90	-65.94
C[C@@H](C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025421974	0	54	0.0	-70.18	415.66	2.35	-67.83
CC1C[NH+](CC(=O)N2CCCCC2CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025421998	1	55	0.0	-72.30	432.58	3.12	-69.18
CC[N@H+](C)CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025422014	0	54	0.0	-72.07	419.06	2.69	-69.38
CC[N@@H+](C)CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025422014	1	54	0.0	-72.00	418.99	2.68	-69.32
CC(C[NH+](C)C)C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025422039	0	57	0.0	-67.90	434.06	3.11	-64.79
C[C@H](C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025422043	0	54	0.0	-69.91	415.60	2.34	-67.57
CC[N@@H+]1CCC1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025422046	1	55	0.0	-71.19	432.91	3.03	-68.16
CC[N@H+]1CCC1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025422046	1	55	0.0	-71.37	432.05	2.93	-68.44
[N-]=[N+]=NCC(=O)N1CCCCC1CCNC(=O)CSC1=NC(=O)NN1	REAL300025422093	0	45	0.0	-21.10	377.82	-2.39	-23.49
C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025422102	0	55	0.0	-68.76	423.42	2.82	-65.94
C[N@H+]1CCC[C@H]1C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025422102	1	55	0.0	-70.66	420.07	2.54	-68.12
C[N@H+](CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025422132	0	55	0.0	-69.27	430.12	3.42	-65.85
C[N@@H+](CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025422132	1	55	0.0	-69.84	430.71	3.42	-66.42
C[NH+]1CC(CC(=O)N2CCCCC2CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025422156	0	55	0.0	-72.32	432.30	2.90	-69.42
C[NH+](C)CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025422159	0	51	0.0	-72.75	400.88	2.02	-70.73
C[C@@H](C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025422162	0	54	0.0	-70.18	415.66	2.35	-67.83
CC1CC[N@@H+]1CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025422167	1	55	0.0	-69.92	427.26	2.85	-67.07
CC1CC[N@H+]1CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025422167	1	55	0.0	-69.85	427.09	2.85	-67.00
C[NH+](C)CC=CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025422168	0	55	0.0	-75.34	435.66	3.24	-72.10
CC[NH+](CC)CC(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025422174	0	57	0.0	-70.53	436.88	3.37	-67.16
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCCN1C(=O)C[NH+]1CCC1	REAL300025422175	1	52	0.0	-72.39	411.18	2.49	-69.90
CC(C(=O)N1CCCCC1CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025422192	1	55	0.0	-69.73	426.34	2.85	-66.88
C[N@@H+]1CCC[C@H]1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025422251	0	55	0.0	-61.24	427.11	3.15	-58.09
C[N@H+]1CCC[C@H]1C(=O)NCCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025422251	1	55	0.0	-62.93	421.10	2.66	-60.27
C[N@@H+]1CCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422433	0	47	0.0	-76.33	386.87	1.87	-74.46
C[N@H+]1CCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422433	1	47	0.0	-67.65	389.09	2.25	-65.40
C[N@@H+]1CCOC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025422457	1	48	0.0	-78.92	400.45	1.74	-77.18
C[N@H+]1CCOC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025422457	1	48	0.0	-92.47	402.91	1.74	-90.73
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422605	0	53	0.0	-65.19	424.75	3.34	-61.85
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422605	1	53	0.0	-66.28	418.67	3.86	-62.42
CC1=[NH+]C=CN1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422630	1	45	0.0	-67.98	397.10	2.97	-65.01
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300025422651	0	51	0.0	-72.84	405.95	3.04	-69.80
C[C@@H]1[C@H](C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025422681	0	50	0.0	-80.77	404.72	2.71	-78.06
C[C@@H]1[C@H](C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025422681	1	50	0.0	-71.04	410.75	2.63	-68.41
CC[C@@H]1[C@@H](C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025422683	0	53	0.0	-70.40	421.58	2.93	-67.47
CC[C@@H]1[C@@H](C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025422683	1	53	0.0	-70.19	427.69	3.30	-66.89
CC[N@@H+]1CCOC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025422688	1	51	0.0	-88.95	418.55	2.37	-86.58
CC[N@H+]1CCOC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025422688	1	51	0.0	-90.88	420.35	2.35	-88.53
CC1CCC(C)[NH+]1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422738	0	53	0.0	-66.22	424.70	3.22	-63.00
O=C(CCC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025422741	0	53	0.0	-79.36	437.58	3.91	-75.45
O=C(CC[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025422744	0	53	0.0	-70.97	431.71	3.80	-67.17
CC[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422747	0	53	0.0	-66.63	414.34	3.21	-63.42
CC[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422747	1	53	0.0	-66.63	427.24	3.57	-63.06
C[NH+](C)C1(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CCC1	REAL300025422757	0	50	0.0	-73.06	393.72	2.37	-70.69
CC(C)[C@@H](C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025422763	0	52	0.0	-66.64	412.25	2.85	-63.79
C[N@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300025422784	0	50	0.0	-68.56	413.92	3.35	-65.21
C[N@@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300025422784	1	50	0.0	-68.29	413.83	3.34	-64.95
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422842	1	49	0.0	-66.77	413.39	3.06	-63.71
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422842	1	49	0.0	-67.26	418.77	3.57	-63.69
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025422847	0	53	0.0	-70.40	429.59	3.40	-67.00
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025422847	1	53	0.0	-70.09	429.63	3.41	-66.68
C[NH+]1CCC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025422863	0	50	0.0	-74.77	409.99	2.83	-71.94
C[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422894	0	50	0.0	-74.84	409.56	2.97	-71.87
C[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422894	1	50	0.0	-68.01	409.35	2.95	-65.06
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300025422947	0	45	0.0	-79.85	393.59	4.43	-75.42
O=C(CC[NH+]1CCOCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025422953	1	51	0.0	-83.11	423.02	1.39	-81.72
CC1=C[NH+]=CN1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025422966	1	45	0.0	-69.67	397.49	3.71	-65.96
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300025422982	0	51	0.0	-65.61	407.50	2.92	-62.69
C[N@@H+]1CCC(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025422989	0	50	0.0	-72.32	414.72	2.94	-69.38
C[N@H+]1CCC(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025422989	1	50	0.0	-80.55	414.43	2.98	-77.57
CCC(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025422996	0	49	0.0	-76.28	400.31	2.49	-73.79
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300025423020	1	45	0.0	-74.91	393.70	4.45	-70.46
C[NH+](C)CCCCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025423045	0	52	0.0	-81.09	433.11	3.53	-77.56
CC(C)C(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025423057	0	52	0.0	-76.07	412.97	3.08	-72.99
CCC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025423058	0	52	0.0	-72.19	429.31	3.35	-68.84
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025423058	1	52	0.0	-72.32	429.30	3.34	-68.98
CCC[N@H+](C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423061	0	49	0.0	-70.37	406.94	2.78	-67.59
CCC[N@@H+](C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423061	1	49	0.0	-70.24	406.94	2.78	-67.46
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300025423074	0	51	0.0	-71.98	404.34	2.36	-69.62
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300025423074	1	51	0.0	-85.16	403.55	2.32	-82.84
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423098	0	47	0.0	-70.20	387.01	1.87	-68.33
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423098	1	47	0.0	-74.79	392.75	2.36	-72.43
CC[NH+](CC)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423127	0	49	0.0	-76.14	399.34	2.44	-73.70
CC1CC[NH+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025423181	0	53	0.0	-70.16	430.30	3.84	-66.32
C[NH+](C)CC1(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025423201	0	50	0.0	-75.74	407.35	2.87	-72.87
C[NH+]1CCC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025423249	0	50	0.0	-74.77	409.99	2.83	-71.94
CC(C)[C@H](C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025423264	0	52	0.0	-69.60	413.03	3.09	-66.51
CCC(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](CC)CC	REAL300025423292	0	55	0.0	-64.70	431.49	3.63	-61.07
CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025423323	0	49	0.0	-80.18	407.85	2.60	-77.58
CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025423323	1	49	0.0	-71.68	407.80	2.59	-69.09
CC1CCC[N@@H+]1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423347	0	50	0.0	-67.08	413.71	3.02	-64.06
CC1CCC[N@H+]1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423347	1	50	0.0	-66.84	406.36	2.72	-64.12
CC1CC[N@H+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423348	0	50	0.0	-77.00	412.97	3.11	-73.89
CC1CC[N@@H+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423348	1	50	0.0	-69.02	412.92	3.09	-65.93
CC1(C)CC[N@H+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423351	0	53	0.0	-69.42	433.27	3.62	-65.80
CC1(C)CC[N@@H+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423351	1	53	0.0	-77.22	433.32	3.63	-73.59
C[N@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)CC(C)(C)C	REAL300025423352	0	55	0.0	-77.66	437.38	3.86	-73.80
C[N@@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)CC(C)(C)C	REAL300025423352	1	55	0.0	-77.74	437.88	3.95	-73.79
CC[C@@H](C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025423359	0	49	0.0	-68.09	401.29	2.51	-65.58
C[NH+](C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423444	0	43	0.0	-70.81	367.71	1.37	-69.44
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[NH+]1CCCCCC1)C2	REAL300025423447	0	53	0.0	-76.94	418.83	3.43	-73.51
CN1C=C[N+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=C1	REAL300025423450	0	45	0.0	-68.18	398.94	4.89	-63.29
C[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423454	0	50	0.0	-67.11	403.05	2.95	-64.16
C[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423454	1	50	0.0	-70.95	409.94	2.77	-68.18
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300025423459	0	51	0.0	-67.74	414.29	3.06	-64.68
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300025423459	1	51	0.0	-65.12	419.27	3.68	-61.44
CC(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025423471	1	47	0.0	-75.41	393.47	2.22	-73.19
CCC(CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C[NH+](C)C	REAL300025423475	0	55	0.0	-72.30	438.84	3.85	-68.45
C[NH+](C)CC(C)(C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423480	0	52	0.0	-75.11	411.21	2.63	-72.48
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[NH+]1CCC(O)CC1)C2	REAL300025423491	1	51	0.0	-74.07	420.54	-0.11	-74.18
C[N@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025423492	0	47	0.0	-74.50	397.02	2.80	-71.70
C[N@@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025423492	1	47	0.0	-75.50	397.17	2.78	-72.72
C[NH+]1CC(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423506	0	47	0.0	-79.57	399.04	2.21	-77.36
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423516	0	53	0.0	-76.73	407.79	2.43	-74.30
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423516	1	53	0.0	-67.08	411.87	2.38	-64.70
C[C@@H](C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025423527	0	46	0.0	-75.48	385.11	1.79	-73.69
[N-]=[N+]=NCC(=O)N1CC2(C1)CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025423534	0	37	0.0	-29.04	344.72	-3.03	-32.07
[NH2+]=C1SC=CN1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423579	0	43	0.0	-66.46	394.77	1.55	-64.91
C[N@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025423584	0	50	0.0	-71.95	418.15	-0.61	-72.56
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025423584	1	50	0.0	-70.96	418.11	-0.63	-71.59
C[C@@H](C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025423585	0	46	0.0	-75.48	385.11	1.79	-73.69
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423588	0	50	0.0	-68.25	396.13	2.50	-65.75
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423588	1	50	0.0	-67.38	409.04	3.00	-64.38
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[NH+]1CCC1)C2	REAL300025423633	1	44	0.0	-77.98	378.03	1.91	-76.07
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025423649	0	48	0.0	-75.61	406.35	2.96	-72.65
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025423649	1	48	0.0	-82.10	405.39	2.95	-79.15
C[NH+](C)CCOCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025423669	0	50	0.0	-78.06	423.62	2.48	-75.58
C=CCC(C)(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025423681	0	53	0.0	-80.73	415.62	3.12	-77.61
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423699	0	51	0.0	-69.54	411.34	-1.13	-70.67
CC1CN(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423716	0	47	0.0	-77.98	397.78	2.57	-75.41
CC1C[NH+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423716	1	47	0.0	-77.98	397.78	2.57	-75.41
CN(CCO)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423734	0	47	0.0	-70.44	395.79	-1.20	-71.64
C[N@H+](CCO)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423734	1	47	0.0	-70.61	395.59	-1.18	-71.79
C[N@@H+](CCO)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423734	1	47	0.0	-70.61	395.59	-1.18	-71.79
CC[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423753	0	53	0.0	-77.19	425.42	3.45	-73.74
CC[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423753	1	53	0.0	-77.19	425.42	3.45	-73.74
CC(CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C[NH+](C)C	REAL300025423755	0	52	0.0	-80.34	424.94	3.39	-76.95
CC[N@H+](C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423759	0	46	0.0	-69.87	385.44	2.04	-67.83
CC[N@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025423786	0	50	0.0	-67.74	411.07	3.11	-64.63
CC[NH+](CC)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025423795	0	52	0.0	-70.68	421.31	3.01	-67.67
CC1(C)CN(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423811	0	50	0.0	-69.79	418.09	2.93	-66.86
CC1(C)C[NH+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423811	1	50	0.0	-69.79	418.09	2.93	-66.86
CC1(O)CC[N@H+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025423828	0	51	0.0	-76.31	423.87	-0.21	-76.52
C[NH+](C)CC=CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025423831	0	47	0.0	-73.98	403.52	2.56	-71.42
CC(OCC[NH+](C)C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423839	0	53	0.0	-72.62	438.76	3.03	-69.59
C[NH+](C)CCOCCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025423845	0	53	0.0	-69.89	444.52	2.16	-67.73
COCCN(C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423846	0	50	0.0	-70.61	417.84	1.21	-69.40
COCC[N@H+](C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423846	1	50	0.0	-70.48	418.04	1.20	-69.28
COCC[N@@H+](C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423846	1	50	0.0	-70.48	418.04	1.20	-69.28
C[NH+](C)C1(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CCCC1	REAL300025423865	0	53	0.0	-79.56	406.47	3.10	-76.46
CC(CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025423867	0	52	0.0	-78.00	425.10	3.13	-74.87
CCN1CCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423873	0	47	0.0	-69.40	399.41	2.39	-67.01
CC[N@@H+]1CCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423873	1	47	0.0	-77.81	399.44	2.35	-75.46
CC[N@H+]1CCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423873	1	47	0.0	-77.81	399.44	2.35	-75.46
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[N@H+]1CCCC1CO)C2	REAL300025423884	0	51	0.0	-77.46	422.47	0.04	-77.42
C[NH+]1CCC(C)(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025423904	0	53	0.0	-67.59	417.68	2.99	-64.60
C=CCC(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025423921	0	50	0.0	-76.75	414.31	3.02	-73.73
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423928	0	53	0.0	-74.37	430.59	3.50	-70.87
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423928	1	53	0.0	-74.37	430.59	3.50	-70.87
C[NH+](C)CCCCCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025423930	0	55	0.0	-80.22	454.61	4.31	-75.91
CCCC(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025423948	0	52	0.0	-69.59	419.04	3.12	-66.47
C[NH+](C)C(C)(C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423951	0	49	0.0	-72.61	390.57	2.47	-70.14
C[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025423975	0	50	0.0	-68.01	409.35	2.95	-65.06
C[N@H+]1CC=C(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025423996	0	51	0.0	-69.71	426.85	3.69	-66.02
C[N@@H+]1CC=C(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025423996	1	51	0.0	-69.71	426.85	3.69	-66.02
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025424028	0	51	0.0	-72.67	428.47	3.68	-68.99
O=C(CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025424057	0	50	0.0	-79.65	416.09	3.11	-76.54
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1C[NH+]3CCN1CC3)C2	REAL300025424079	0	50	0.0	-87.10	402.37	-0.25	-87.35
C[N@@H+]1CC2CC1(C(=O)N1CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C1)C2	REAL300025424083	0	48	0.0	-83.32	396.36	2.48	-80.84
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[N@@H+]1CC3CCC1C3)C2	REAL300025424088	0	51	0.0	-75.06	412.12	3.29	-71.77
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[N@H+]1CC3CCC1C3)C2	REAL300025424088	1	51	0.0	-75.06	412.12	3.29	-71.77
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)CN1CC3C=CC1C3)C2	REAL300025424126	0	49	0.0	-73.61	406.75	3.25	-70.36
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[N@@H+]1CC3C=CC1C3)C2	REAL300025424126	1	49	0.0	-66.33	406.69	3.22	-63.11
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[N@H+]1CC3C=CC1C3)C2	REAL300025424126	1	49	0.0	-66.33	406.69	3.22	-63.11
CC(C[NH+](C)C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424157	0	49	0.0	-72.46	407.61	2.52	-69.94
C[N@@H+]1CCCCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424198	0	53	0.0	-63.75	419.45	3.42	-60.33
C[N@H+]1CCCCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424198	1	53	0.0	-81.52	427.01	3.55	-77.97
CC(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CC(C)C1	REAL300025424207	0	50	0.0	-75.20	409.61	2.64	-72.56
CC1CC[N@@H+]1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424209	1	47	0.0	-68.87	398.99	2.43	-66.44
CC1CC[N@H+]1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424209	1	47	0.0	-76.82	399.06	2.45	-74.37
C[NH+](C)CC(O)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424211	0	50	0.0	-75.24	420.41	0.39	-74.85
CC1C[N@H+](C)CC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)O1	REAL300025424230	1	51	0.0	-81.27	416.51	2.00	-79.27
CC1C[N@@H+](C)CC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)O1	REAL300025424230	1	51	0.0	-77.08	416.64	2.30	-74.78
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025424269	0	50	0.0	-72.25	417.30	3.10	-69.15
CC(CC[NH+](C)C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424273	0	52	0.0	-73.13	429.27	3.16	-69.97
C[NH+]1CCN(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025424289	1	52	0.0	-70.88	426.73	0.84	-70.04
C[N@@H+]1CCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424459	0	47	0.0	-76.33	386.87	1.87	-74.46
C[N@H+]1CCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424459	1	47	0.0	-67.65	389.09	2.25	-65.40
C[N@@H+]1CCOC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025424485	1	48	0.0	-78.92	400.45	1.74	-77.18
C[N@H+]1CCOC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025424485	1	48	0.0	-92.47	402.91	1.74	-90.73
O=C(CC[NH+]1CCOCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025424634	1	51	0.0	-83.11	423.02	1.39	-81.72
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C2	REAL300025424643	0	51	0.0	-65.61	407.50	2.92	-62.69
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300025424646	1	45	0.0	-74.91	393.70	4.45	-70.46
C[N@@H+]1CCC(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025424669	0	50	0.0	-72.32	414.72	2.94	-69.38
C[N@H+]1CCC(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025424669	1	50	0.0	-80.55	414.43	2.98	-77.57
CCC(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025424676	0	49	0.0	-76.28	400.31	2.49	-73.79
C[NH+](C)CCCCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025424709	0	52	0.0	-81.09	433.11	3.53	-77.56
CC(C)C(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025424723	0	52	0.0	-76.07	412.97	3.08	-72.99
CCC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025424724	0	52	0.0	-72.19	429.31	3.35	-68.84
CCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025424724	1	52	0.0	-72.32	429.30	3.34	-68.98
CCC[N@H+](C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424727	0	49	0.0	-70.37	406.94	2.78	-67.59
CCC[N@@H+](C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424727	1	49	0.0	-70.24	406.94	2.78	-67.46
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300025424740	0	51	0.0	-71.98	404.34	2.36	-69.62
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300025424740	1	51	0.0	-85.16	403.55	2.32	-82.84
CC1CC[NH+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025424768	0	53	0.0	-70.16	430.30	3.84	-66.32
C[NH+](C)CC1(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025424806	0	50	0.0	-75.74	407.35	2.87	-72.87
CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025424824	0	49	0.0	-80.18	407.85	2.60	-77.58
CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025424824	1	49	0.0	-71.68	407.80	2.59	-69.09
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300025424836	0	51	0.0	-72.84	405.95	3.04	-69.80
C[NH+]1CCC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025424877	0	50	0.0	-74.77	409.99	2.83	-71.94
CC(C)[C@H](C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025424892	0	52	0.0	-69.60	413.03	3.09	-66.51
C[NH+](C)C1(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CCC1	REAL300025424956	0	50	0.0	-73.06	393.72	2.37	-70.69
CCC(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](CC)CC	REAL300025424984	0	55	0.0	-64.70	431.49	3.63	-61.07
CC1CCC[N@@H+]1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424993	0	50	0.0	-67.08	413.71	3.02	-64.06
CC1CCC[N@H+]1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025424993	1	50	0.0	-66.84	406.36	2.72	-64.12
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425029	0	53	0.0	-65.19	424.75	3.34	-61.85
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425029	1	53	0.0	-66.28	418.67	3.86	-62.42
CC(C)[C@@H](C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025425036	0	52	0.0	-66.64	412.25	2.85	-63.79
CC1CC[N@H+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025425049	0	50	0.0	-77.00	412.97	3.11	-73.89
CC1CC[N@@H+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025425049	1	50	0.0	-69.02	412.92	3.09	-65.93
CC1(C)CC[N@H+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025425052	0	53	0.0	-69.42	433.27	3.62	-65.80
CC1(C)CC[N@@H+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025425052	1	53	0.0	-77.22	433.32	3.63	-73.59
C[N@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)CC(C)(C)C	REAL300025425053	0	55	0.0	-77.66	437.38	3.86	-73.80
C[N@@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)CC(C)(C)C	REAL300025425053	1	55	0.0	-77.74	437.88	3.95	-73.79
CC[C@@H](C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025425060	0	49	0.0	-68.09	401.29	2.51	-65.58
CC1=[NH+]C=CN1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425149	1	45	0.0	-67.98	397.10	2.97	-65.01
CC[N@@H+]1CCOC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025425197	1	51	0.0	-88.95	418.55	2.37	-86.58
CC[N@H+]1CCOC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025425197	1	51	0.0	-90.88	420.35	2.35	-88.53
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300025425220	0	45	0.0	-79.85	393.59	4.43	-75.42
CC1=C[NH+]=CN1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425223	1	45	0.0	-69.67	397.49	3.71	-65.96
C[C@@H]1[C@H](C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025425228	0	50	0.0	-80.77	404.72	2.71	-78.06
C[C@@H]1[C@H](C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025425228	1	50	0.0	-71.04	410.75	2.63	-68.41
CC[C@@H]1[C@@H](C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025425230	0	53	0.0	-70.40	421.58	2.93	-67.47
CC[C@@H]1[C@@H](C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025425230	1	53	0.0	-70.19	427.69	3.30	-66.89
CC1CCC(C)[NH+]1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425236	0	53	0.0	-66.22	424.70	3.22	-63.00
O=C(CCC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025425239	0	53	0.0	-79.36	437.58	3.91	-75.45
O=C(CC[NH+]1CCCCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025425243	0	53	0.0	-70.97	431.71	3.80	-67.17
CC[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425246	0	53	0.0	-66.63	414.34	3.21	-63.42
CC[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425246	1	53	0.0	-66.63	427.24	3.57	-63.06
C[N@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300025425330	0	50	0.0	-68.56	413.92	3.35	-65.21
C[N@@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300025425330	1	50	0.0	-68.29	413.83	3.34	-64.95
C[NH+]1CCC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025425355	0	50	0.0	-74.77	409.99	2.83	-71.94
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425380	0	47	0.0	-70.20	387.01	1.87	-68.33
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425380	1	47	0.0	-74.79	392.75	2.36	-72.43
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425397	1	49	0.0	-66.77	413.39	3.06	-63.71
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425397	1	49	0.0	-67.26	418.77	3.57	-63.69
C[N@@H+]1CCCC1CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025425402	0	53	0.0	-70.40	429.59	3.40	-67.00
C[N@H+]1CCCC1CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025425402	1	53	0.0	-70.09	429.63	3.41	-66.68
C[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425467	0	50	0.0	-74.84	409.56	2.97	-71.87
C[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425467	1	50	0.0	-68.01	409.35	2.95	-65.06
CC1C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025425519	0	50	0.0	-78.93	409.32	2.89	-76.04
CC1C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025425519	1	50	0.0	-78.12	409.31	3.02	-75.10
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425571	0	53	0.0	-76.73	407.79	2.43	-74.30
CC(C)(C)[N@H+]1CCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425571	1	53	0.0	-67.08	411.87	2.38	-64.70
C[C@@H](C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025425585	0	46	0.0	-75.48	385.11	1.79	-73.69
C=CCC(C)(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025425598	0	53	0.0	-80.73	415.62	3.12	-77.61
O=C(CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025425612	0	50	0.0	-79.65	416.09	3.11	-76.54
C[N@H+](CCO)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425621	1	47	0.0	-70.44	395.79	-1.20	-71.64
C[N@@H+](CCO)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425621	1	47	0.0	-70.61	395.59	-1.18	-71.79
C[N@H+]1CC=C(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025425670	0	51	0.0	-71.14	426.84	3.70	-67.44
C[N@@H+]1CC=C(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025425670	1	51	0.0	-69.71	426.85	3.69	-66.02
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425688	0	51	0.0	-74.98	408.49	-0.87	-75.85
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425688	1	51	0.0	-69.54	411.34	-1.13	-70.67
CC1C[NH+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025425714	1	47	0.0	-77.98	397.78	2.57	-75.41
CC[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025425720	0	53	0.0	-77.44	427.31	3.44	-74.00
CC[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025425720	1	53	0.0	-77.19	425.42	3.45	-73.74
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300025425731	0	51	0.0	-67.74	414.29	3.06	-64.68
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300025425731	1	51	0.0	-65.12	419.27	3.68	-61.44
O=C(C=CC[NH+]1CCCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025425752	0	51	0.0	-72.67	428.47	3.68	-68.99
CC[N@H+](C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425793	0	46	0.0	-69.87	385.44	2.04	-67.83
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)CN1CC3C=CC1C3)C2	REAL300025425824	0	49	0.0	-73.61	406.75	3.25	-70.36
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[N@@H+]1CC3C=CC1C3)C2	REAL300025425824	1	49	0.0	-66.33	406.69	3.22	-63.11
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[N@H+]1CC3C=CC1C3)C2	REAL300025425824	1	49	0.0	-66.33	406.69	3.22	-63.11
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1C[NH+]3CCN1CC3)C2	REAL300025425872	0	50	0.0	-87.10	402.37	-0.25	-87.35
CC(OCC[NH+](C)C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425898	0	53	0.0	-72.62	438.76	3.03	-69.59
C[NH+](C)CCOCCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025425905	0	53	0.0	-69.89	444.52	2.16	-67.73
COCCN(C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425907	0	50	0.0	-70.61	417.84	1.21	-69.40
COCC[N@H+](C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425907	1	50	0.0	-70.48	418.04	1.20	-69.28
COCC[N@@H+](C)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425907	1	50	0.0	-70.48	418.04	1.20	-69.28
CC(CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025425910	0	52	0.0	-78.00	425.10	3.13	-74.87
CC[N@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025425924	0	50	0.0	-67.74	411.07	3.11	-64.63
C[N@@H+]1CC2CC1(C(=O)N1CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C1)C2	REAL300025425949	0	48	0.0	-83.32	396.36	2.48	-80.84
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[N@@H+]1CC3CCC1C3)C2	REAL300025425956	0	51	0.0	-75.06	412.12	3.29	-71.77
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[N@H+]1CC3CCC1C3)C2	REAL300025425956	1	51	0.0	-75.06	412.12	3.29	-71.77
CC(C[NH+](C)C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025425970	0	49	0.0	-72.46	407.61	2.52	-69.94
CCN1CCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426000	0	47	0.0	-69.40	399.41	2.39	-67.01
CC[N@@H+]1CCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426000	1	47	0.0	-77.81	399.44	2.35	-75.46
CC[N@H+]1CCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426000	1	47	0.0	-77.81	399.44	2.35	-75.46
CCC(C)(C)[NH2+]C(C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426008	0	55	0.0	-74.97	432.60	1.83	-73.14
CCCC(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025426039	0	52	0.0	-69.59	419.04	3.12	-66.47
C[NH+](C)C(C)(C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426043	0	49	0.0	-72.61	390.57	2.47	-70.14
CC(CC[NH+](C)C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426056	0	52	0.0	-73.13	429.27	3.16	-69.97
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426106	0	53	0.0	-74.37	430.59	3.50	-70.87
C[N@H+]1CC(C)(C)CC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426106	1	53	0.0	-74.37	430.59	3.50	-70.87
C[NH+](C)CCCCCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025426108	0	55	0.0	-80.22	454.61	4.31	-75.91
CN1CCN(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025426115	0	52	0.0	-70.88	426.73	0.84	-70.04
C[NH+]1CCN(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025426115	1	52	0.0	-70.88	426.73	0.84	-70.04
CC1C[N@H+](C)CC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)O1	REAL300025426161	1	51	0.0	-81.27	416.51	2.00	-79.27
CC1C[N@@H+](C)CC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)O1	REAL300025426161	1	51	0.0	-77.08	416.64	2.30	-74.78
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[NH+]1CC3CC3C1)C2	REAL300025426188	0	48	0.0	-70.01	402.53	3.20	-66.81
C[N@@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426207	0	50	0.0	-74.84	409.56	2.97	-71.87
C[N@H+]1CCCCC1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426207	1	50	0.0	-68.01	409.35	2.95	-65.06
C[N@@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025426268	0	48	0.0	-75.61	406.35	2.96	-72.65
C[N@H+]1CCC(=CC(=O)N2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025426268	1	48	0.0	-82.10	405.39	2.95	-79.15
O=C(CNC1=CC=[NH+]C=C1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025426270	0	46	0.0	-78.94	403.47	0.64	-78.30
[N-]=[N+]=NCC(=O)N1CC2(C1)CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025426294	0	37	0.0	-29.04	344.72	-3.03	-32.07
C[NH+](C)C1(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CCCC1	REAL300025426321	0	53	0.0	-79.56	406.47	3.10	-76.46
CCC1C[NH+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025426330	1	50	0.0	-78.20	420.32	3.27	-74.93
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426339	0	47	0.0	-74.12	390.93	2.27	-71.85
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426339	1	47	0.0	-77.79	386.89	1.85	-75.94
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025426421	0	50	0.0	-72.25	417.30	3.10	-69.15
C[NH+](C)CCC1(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025426429	0	53	0.0	-74.69	443.46	3.89	-70.80
C[N@@H+]1CC=CCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426430	0	51	0.0	-73.15	418.92	3.41	-69.74
C[N@H+]1CC=CCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426430	1	51	0.0	-71.96	418.90	3.42	-68.54
C[NH+](C)CCOCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025426459	0	50	0.0	-78.06	423.62	2.48	-75.58
[NH2+]=C1SC=CN1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426484	0	43	0.0	-66.46	394.77	1.55	-64.91
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426517	0	53	0.0	-75.61	441.18	3.03	-72.58
C[N@@H+]1CCCC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025426543	0	50	0.0	-70.95	409.94	2.77	-68.18
C[N@H+]1CCCC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025426543	1	50	0.0	-70.95	409.94	2.77	-68.18
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[NH+]1CCCCCC1)C2	REAL300025426544	0	53	0.0	-76.94	418.83	3.43	-73.51
CN1C=C[N+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=C1	REAL300025426547	0	45	0.0	-68.18	398.94	4.89	-63.29
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)CN1CCC(O)CC1)C2	REAL300025426566	0	51	0.0	-74.07	420.54	-0.11	-74.18
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[NH+]1CCC(O)CC1)C2	REAL300025426566	1	51	0.0	-74.07	420.54	-0.11	-74.18
C[N@H+](CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025426567	0	47	0.0	-75.50	397.17	2.78	-72.72
O=C(CC[N@H+]1CCC(F)C1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025426570	0	50	0.0	-82.97	422.01	3.20	-79.77
CC(CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C[NH+](C)C	REAL300025426589	0	52	0.0	-80.34	424.94	3.39	-76.95
CN1CCOCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426608	0	51	0.0	-66.72	410.86	1.04	-65.68
C[N@@H+]1CCOCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426608	1	51	0.0	-75.21	418.32	1.18	-74.03
C[N@H+]1CCOCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426608	1	51	0.0	-75.21	418.32	1.18	-74.03
CC1(O)CC[N@H+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025426671	0	51	0.0	-76.31	423.87	-0.21	-76.52
C[NH+]1CC(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025426694	0	47	0.0	-79.57	399.04	2.21	-77.36
C[N@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025426718	0	50	0.0	-70.96	418.11	-0.63	-71.59
C[N@@H+](CCO)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025426718	1	50	0.0	-70.96	418.11	-0.63	-71.59
C[N@@H+]1CCCCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426733	0	53	0.0	-81.52	427.01	3.55	-77.97
C[N@H+]1CCCCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426733	1	53	0.0	-81.52	427.01	3.55	-77.97
CC1CCN1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426745	0	47	0.0	-68.87	398.99	2.43	-66.44
CC1CC[N@@H+]1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426745	1	47	0.0	-76.82	399.06	2.45	-74.37
CC1CC[N@H+]1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426745	1	47	0.0	-76.82	399.06	2.45	-74.37
C[NH+](C)CC=CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025426751	0	47	0.0	-73.98	403.52	2.56	-71.42
CC1(C)CN(CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025426757	0	50	0.0	-69.79	418.09	2.93	-66.86
CC1(C)C[NH+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025426757	1	50	0.0	-69.79	418.09	2.93	-66.86
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[N@H+]1CCCC1CO)C2	REAL300025426792	0	51	0.0	-77.46	422.47	0.04	-77.42
CC[NH+](CC)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426796	0	49	0.0	-76.14	399.34	2.44	-73.70
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)CN1CCC1)C2	REAL300025426805	0	44	0.0	-77.98	378.03	1.91	-76.07
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[NH+]1CCC1)C2	REAL300025426805	1	44	0.0	-77.98	378.03	1.91	-76.07
CC[NH+](CC)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025426833	0	52	0.0	-70.68	421.31	3.01	-67.67
CC(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)N1CCC1	REAL300025426885	0	47	0.0	-75.41	393.47	2.22	-73.19
CC(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025426885	1	47	0.0	-75.41	393.47	2.22	-73.19
CCC(CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C[NH+](C)C	REAL300025426890	0	55	0.0	-72.30	438.84	3.85	-68.45
C[NH+](C)CC(C)(C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426895	0	52	0.0	-75.11	411.21	2.63	-72.48
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426927	0	50	0.0	-67.38	409.04	3.00	-64.38
C[NH+](C)CC(O)CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025426948	0	50	0.0	-75.24	420.41	0.39	-74.85
C=CCC(C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025426969	0	50	0.0	-76.75	414.31	3.02	-73.73
C[NH+]1CCC(C)(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025426981	0	53	0.0	-67.59	417.68	2.99	-64.60
NC(=[NH2+])SCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025427002	0	41	0.0	-71.76	375.63	-1.66	-73.42
C[NH+](C)CCC1(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025427026	0	53	0.0	-74.69	443.46	3.89	-70.80
C[N@@H+]1CC=CCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025427027	0	51	0.0	-71.96	418.90	3.42	-68.54
C[N@H+]1CC=CCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025427027	1	51	0.0	-71.96	418.90	3.42	-68.54
C[C@@H](OCC[NH+](C)C)C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025427037	0	53	0.0	-75.61	441.18	3.03	-72.58
CCC1C[NH+](CC(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025427112	1	50	0.0	-78.20	420.32	3.27	-74.93
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025427117	1	47	0.0	-77.79	386.89	1.85	-75.94
O=C(CC[N@@H+]1CCC(F)C1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025427123	1	50	0.0	-82.97	422.01	3.20	-79.77
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[NH+]1CCCCC1)C2	REAL300025427136	0	50	0.0	-69.52	409.82	3.23	-66.29
CC1C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025427142	0	50	0.0	-78.93	409.32	2.89	-76.04
CC1C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025427142	1	50	0.0	-78.12	409.31	3.02	-75.10
C[N@@H+]1CCOCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025427171	1	51	0.0	-66.72	410.86	1.04	-65.68
C[N@H+]1CCOCC1CC(=O)N1CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025427171	1	51	0.0	-75.21	418.32	1.18	-74.03
CCOCC(N=[N+]=[N-])C(=O)N1CC2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025427179	0	47	0.0	-27.72	418.49	-2.22	-29.94
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C	REAL300025427380	0	50	0.0	-63.92	412.51	0.47	-63.45
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@H+]1C	REAL300025427380	1	50	0.0	-64.74	411.08	0.38	-64.36
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN1C=C[NH+]=C1C	REAL300025427531	1	48	0.0	-63.76	415.63	1.02	-62.74
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025427549	0	53	0.0	-68.53	421.08	0.55	-67.98
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025427549	1	53	0.0	-65.86	428.04	0.63	-65.23
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300025427566	0	53	0.0	-69.29	420.49	0.58	-68.71
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300025427576	0	53	0.0	-66.33	431.52	1.40	-64.93
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300025427576	1	53	0.0	-64.07	432.39	1.41	-62.66
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300025427597	0	53	0.0	-73.19	429.92	1.11	-72.08
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300025427603	0	53	0.0	-63.20	418.89	0.84	-62.36
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300025427603	1	53	0.0	-67.13	417.97	0.85	-66.28
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN1C=[NH+]C=C1C	REAL300025427620	1	48	0.0	-64.53	416.00	1.76	-62.77
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300025427629	0	53	0.0	-70.07	432.60	1.03	-69.04
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300025427629	1	53	0.0	-70.80	431.82	1.03	-69.77
CCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC)[NH+](C)C	REAL300025427632	0	52	0.0	-67.00	416.10	0.37	-66.63
CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300025427648	0	52	0.0	-68.46	424.62	0.83	-67.63
CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300025427648	1	52	0.0	-68.33	424.64	0.84	-67.49
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300025427662	0	50	0.0	-65.89	410.49	0.49	-65.40
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C	REAL300025427662	1	50	0.0	-68.46	405.42	-0.02	-68.48
CC[NH+](CC)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300025427674	0	52	0.0	-66.82	421.50	0.77	-66.05
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300025427726	0	53	0.0	-72.05	436.07	1.15	-70.90
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300025427747	0	53	0.0	-73.19	429.92	1.11	-72.08
CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300025427784	0	52	0.0	-67.41	426.32	0.64	-66.77
CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300025427784	1	52	0.0	-67.57	426.32	0.63	-66.94
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CCCC1C	REAL300025427792	0	53	0.0	-62.70	431.60	1.22	-61.48
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+]1CCCC1C	REAL300025427792	1	53	0.0	-62.38	424.89	0.79	-61.59
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)C1	REAL300025427793	0	53	0.0	-64.85	431.71	1.11	-63.74
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)C1	REAL300025427793	1	53	0.0	-64.60	431.66	1.10	-63.50
CC[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC)[NH+](C)C	REAL300025427795	0	52	0.0	-65.08	416.03	0.43	-64.65
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+](C)C	REAL300025427826	0	46	0.0	-66.19	386.24	-0.59	-66.78
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300025427827	0	48	0.0	-63.10	417.46	2.92	-60.18
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300025427830	0	53	0.0	-69.21	429.90	1.06	-68.15
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300025427830	1	53	0.0	-62.99	424.57	1.25	-61.74
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)[NH+]1CCC1	REAL300025427837	1	50	0.0	-66.18	413.14	0.46	-65.72
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)C1CC1	REAL300025427845	0	50	0.0	-65.94	414.80	0.84	-65.10
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300025427845	1	50	0.0	-66.27	414.81	0.84	-65.43
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1C[NH+](C)C1	REAL300025427855	0	50	0.0	-66.96	417.50	0.24	-66.72
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H](C)[NH+](C)C	REAL300025427866	0	49	0.0	-66.21	403.45	-0.15	-66.36
CO[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@@H]1NC(=O)CN=[N+]=[N-]	REAL300025427873	0	40	0.0	-23.13	362.35	-4.98	-28.11
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H](C)[NH+](C)C	REAL300025427904	0	49	0.0	-66.21	403.45	-0.15	-66.36
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025427907	0	53	0.0	-64.31	428.20	1.03	-63.28
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300025427907	1	53	0.0	-67.07	417.97	0.86	-66.21
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300025427939	0	51	0.0	-72.91	424.27	0.97	-71.94
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300025427939	1	51	0.0	-71.30	424.14	0.99	-70.31
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H](C)[NH+](C)C	REAL300025427956	0	49	0.0	-65.43	404.38	-0.17	-65.60
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CC(C)C1	REAL300025427970	1	50	0.0	-65.63	417.55	0.51	-65.12
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)CCO	REAL300025427983	1	50	0.0	-65.61	414.32	-3.15	-68.76
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)CCO	REAL300025427983	1	50	0.0	-68.78	413.26	-3.15	-71.93
CC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300025427995	0	49	0.0	-68.12	403.07	0.10	-68.02
CC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300025427995	1	49	0.0	-67.93	403.12	0.10	-67.83
CC[N@H+](CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC)C1CC1	REAL300025428005	0	53	0.0	-65.02	433.97	1.45	-63.57
CC[N@@H+](CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC)C1CC1	REAL300025428005	1	53	0.0	-65.66	431.44	1.45	-64.21
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=CC[NH+](C)C	REAL300025428024	0	50	0.0	-72.43	421.31	0.66	-71.77
CC[N@@H+]1CCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300025428041	1	50	0.0	-63.01	408.60	0.21	-62.80
CC[N@H+]1CCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC	REAL300025428041	1	50	0.0	-64.53	417.86	0.43	-64.10
C=CCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1OC)[NH+](C)C	REAL300025428060	0	53	0.0	-64.32	429.03	0.92	-63.40
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300025428067	0	51	0.0	-68.18	420.71	1.31	-66.87
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300025428072	0	52	0.0	-70.28	412.83	0.59	-69.69
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300025428082	0	53	0.0	-63.20	418.89	0.84	-62.36
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300025428082	1	53	0.0	-67.13	417.97	0.85	-66.28
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1([NH+](C)C)CC1	REAL300025428114	0	50	0.0	-68.49	413.04	0.08	-68.41
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[NH+]1CCCC1	REAL300025428115	0	53	0.0	-69.59	432.65	1.10	-68.49
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300025428125	1	51	0.0	-64.54	418.68	0.51	-64.03
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CC(C1)C[N@H+]2C	REAL300025428125	1	51	0.0	-69.97	415.95	0.68	-69.29
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)C[NH+](C)C	REAL300025428159	0	52	0.0	-63.49	423.05	0.82	-62.67
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)[NH+]1CC(C)C1	REAL300025428178	1	53	0.0	-63.10	434.08	1.16	-61.94
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CCC1C	REAL300025428179	1	50	0.0	-66.21	411.06	0.25	-65.96
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+]1CCC1C	REAL300025428179	1	50	0.0	-64.95	417.56	0.49	-64.46
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025428207	0	53	0.0	-70.83	434.93	1.15	-69.68
CO[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428367	0	50	0.0	-69.25	407.05	0.18	-69.07
CO[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428367	1	50	0.0	-71.58	404.02	-0.14	-71.72
CO[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428534	0	53	0.0	-76.83	431.26	0.98	-75.85
CO[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428534	1	53	0.0	-76.81	432.51	0.98	-75.83
CCC(C(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025428537	0	52	0.0	-69.90	414.22	0.38	-69.52
CCC[N@H+](C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025428549	0	52	0.0	-74.24	424.57	0.78	-73.46
CCC[N@@H+](C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025428549	1	52	0.0	-73.13	425.47	0.79	-72.34
CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428585	0	53	0.0	-70.28	434.38	1.00	-69.28
CC[N@H+](C)CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025428590	0	52	0.0	-76.63	425.44	0.63	-76.00
CC[N@@H+](C)CCC(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025428590	1	52	0.0	-76.56	425.44	0.61	-75.95
CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428612	0	53	0.0	-70.37	429.69	0.90	-69.47
CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428644	0	53	0.0	-73.85	412.55	0.36	-73.49
CO[C@@H]1CN(C(=O)C[N@@H+]2CCCC2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428666	0	53	0.0	-71.43	430.27	1.07	-70.36
CO[C@@H]1CN(C(=O)C[N@H+]2CCCC2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428666	1	53	0.0	-71.50	430.72	1.16	-70.34
CO[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428683	0	53	0.0	-71.67	431.64	1.03	-70.64
CO[C@@H]1CN(C(=O)C[N@H+]2CCC(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428683	1	53	0.0	-72.36	432.10	1.13	-71.23
CC[C@@H](C(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025428685	0	52	0.0	-71.68	414.46	0.34	-71.34
CO[C@@H]1CN(C(=O)CN2C=C[NH+]=C2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428720	1	48	0.0	-68.82	415.65	0.97	-67.85
CO[C@@H]1CN(C(=O)CN2C=[NH+]C=C2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428738	1	48	0.0	-73.14	416.01	1.72	-71.42
CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428739	0	53	0.0	-79.54	421.65	0.30	-79.24
CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428739	1	53	0.0	-76.08	426.64	0.91	-75.17
CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428766	0	53	0.0	-72.42	431.46	1.36	-71.06
CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428766	1	53	0.0	-70.19	432.45	1.35	-68.84
CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428771	0	53	0.0	-70.37	429.69	0.90	-69.47
CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428783	0	50	0.0	-69.61	408.39	0.21	-69.40
CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428783	1	50	0.0	-70.40	404.92	-0.14	-70.54
CO[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428823	0	53	0.0	-67.35	425.78	0.85	-66.50
CO[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428823	1	53	0.0	-71.56	425.91	0.93	-70.63
CO[C@@H]1CN(C(=O)C2CC[N@H+](C)C2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428851	0	53	0.0	-75.09	421.98	0.40	-74.69
CO[C@@H]1CN(C(=O)C2CC[N@@H+](C)C2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428851	1	53	0.0	-76.08	426.66	0.91	-75.17
CO[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428888	0	49	0.0	-73.21	401.99	-0.26	-73.47
CO[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428905	0	53	0.0	-74.93	433.58	1.06	-73.87
CO[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428910	1	50	0.0	-75.60	413.46	-3.20	-78.80
CO[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428910	1	50	0.0	-74.49	413.20	-3.20	-77.69
CO[C@@H]1CN(C(=O)C[NH+]2CC(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428948	1	50	0.0	-75.43	415.43	0.53	-74.90
CC[N@H+](C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025428977	0	49	0.0	-73.97	403.07	0.04	-73.93
CC[N@@H+](C)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025428977	1	49	0.0	-72.86	403.97	0.05	-72.81
CC[N@H+](CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025429030	0	53	0.0	-72.83	426.79	1.28	-71.55
CC[N@@H+](CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025429030	1	53	0.0	-70.47	429.98	1.13	-69.34
CO[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429042	0	51	0.0	-77.06	413.33	0.62	-76.44
CO[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429042	1	51	0.0	-76.08	409.42	0.55	-75.53
CO[C@@H]1CN(C(=O)C(C)C[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429051	0	52	0.0	-75.40	420.90	0.40	-75.00
CO[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429057	0	50	0.0	-74.68	407.58	0.06	-74.62
CO[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429066	0	49	0.0	-71.41	401.82	-0.33	-71.74
CC[N@@H+]1CCC1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025429069	1	50	0.0	-72.83	406.31	-0.03	-72.86
CC[N@H+]1CCC1C(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025429069	1	50	0.0	-73.77	416.00	0.36	-73.41
CO[C@@H]1CN(C(=O)C2=C[NH+]=CC=C2N)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429079	0	46	0.0	-74.57	393.25	-2.66	-77.23
CO[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429085	0	52	0.0	-75.68	404.07	0.21	-75.47
CO[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429146	0	51	0.0	-73.15	421.84	1.26	-71.89
CO[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429152	0	53	0.0	-67.35	425.78	0.85	-66.50
CO[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429152	1	53	0.0	-71.56	425.91	0.93	-70.63
CO[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429173	0	51	0.0	-76.66	424.38	0.91	-75.75
CO[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429173	1	51	0.0	-77.27	424.38	0.90	-76.37
CO[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025429180	0	40	0.0	-24.67	363.25	-5.03	-29.70
CCC1C[NH+](CC(=O)N2C[C@@H](OC)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025429194	1	53	0.0	-75.63	438.00	1.24	-74.39
CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429199	0	50	0.0	-74.22	403.88	-0.12	-74.34
CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429199	1	50	0.0	-70.82	408.77	0.14	-70.68
CO[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429232	0	53	0.0	-76.49	435.74	1.10	-75.39
CO[C@@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429270	0	53	0.0	-72.74	428.01	1.24	-71.50
CO[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429271	0	53	0.0	-77.23	430.60	0.87	-76.36
CO[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429271	1	53	0.0	-77.21	420.32	0.78	-76.43
CO[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429272	0	48	0.0	-71.19	416.57	2.89	-68.30
CO[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429282	0	50	0.0	-71.85	414.74	0.80	-71.05
CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429282	1	50	0.0	-70.84	414.60	0.80	-70.04
CO[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429331	0	50	0.0	-76.68	416.61	0.24	-76.44
CO[C@@H]1CN(C(=O)C[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429337	0	46	0.0	-74.79	385.34	-0.62	-75.41
CO[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429345	0	49	0.0	-73.21	401.99	-0.26	-73.47
CO[C@@H]1CN(C(=O)C(C)[NH+]2CC(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429359	1	53	0.0	-71.81	430.22	0.75	-71.06
CO[C@@H]1CN(C(=O)C[N@@H+]2CCC2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429360	1	50	0.0	-73.52	416.63	0.45	-73.07
CO[C@@H]1CN(C(=O)C[N@H+]2CCC2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429360	1	50	0.0	-72.18	411.15	0.15	-72.03
CO[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429362	0	50	0.0	-80.05	421.65	0.61	-79.44
CO[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429366	1	53	0.0	-74.53	435.72	0.96	-73.57
CC[NH+](CC)CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025429378	0	52	0.0	-72.14	421.75	0.73	-71.41
CO[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429383	1	47	0.0	-74.98	395.66	-0.14	-75.12
CO[C@@H]1CN(C(=O)C(C)[NH+]2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429422	1	50	0.0	-72.08	414.47	0.22	-71.86
CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429443	0	53	0.0	-68.78	425.11	0.87	-67.91
CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429443	1	53	0.0	-70.79	418.57	0.62	-70.17
C=CCC(C(=O)N1C[C@@H](OC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025429462	0	53	0.0	-70.89	428.91	0.89	-70.00
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CSC(N)=[NH2+]	REAL300025429483	0	44	0.0	-70.29	393.87	-3.69	-73.98
CCC1C[NH+](CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2OC)C1	REAL300025429532	1	53	0.0	-66.46	438.92	1.27	-65.19
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025429536	0	50	0.0	-65.95	405.32	-0.02	-65.97
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300025429536	1	50	0.0	-65.45	411.16	0.46	-64.99
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CCCCC1	REAL300025429542	0	53	0.0	-67.73	427.06	1.30	-66.43
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[N@H+](C)C1C	REAL300025429546	0	53	0.0	-68.60	431.32	0.98	-67.62
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[N@@H+](C)C1C	REAL300025429546	1	53	0.0	-66.48	430.96	1.03	-65.45
C[NH+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025429712	0	54	0.0	-71.71	421.97	3.12	-68.59
C[C@@H](C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025429717	0	57	0.0	-70.47	440.08	3.51	-66.96
[N-]=[N+]=NCC(=O)NCCC1CCCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025429720	0	48	0.0	-23.87	398.90	-1.28	-25.15
C[C@@H](C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025429730	0	57	0.0	-70.47	440.08	3.51	-66.96
O=C(C[NH+]1CCC1)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025429738	1	55	0.0	-71.35	431.91	3.55	-67.80
C[C@H](C(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025429743	0	57	0.0	-69.32	440.11	3.54	-65.78
CC[N@H+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025429755	0	57	0.0	-70.92	439.70	3.78	-67.14
CC[N@@H+](C)CC(=O)NCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025429755	1	57	0.0	-70.95	439.70	3.78	-67.17
C[C@@H](C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025429892	0	57	0.0	-71.86	436.40	3.37	-68.49
CC[N@H+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025429911	0	57	0.0	-73.41	439.54	3.72	-69.69
CC[N@@H+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025429911	1	57	0.0	-73.39	439.53	3.72	-69.67
C[C@H](C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025429924	0	57	0.0	-71.90	437.63	3.36	-68.54
[N-]=[N+]=NCC(=O)N1CCCC(CCNC(=O)CSC2=NC(=O)NN2)CC1	REAL300025429948	0	48	0.0	-24.73	398.76	-1.35	-26.08
C[NH+](C)CC(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025429975	0	54	0.0	-74.13	421.80	3.05	-71.08
C[C@@H](C(=O)N1CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025429978	0	57	0.0	-71.86	436.40	3.37	-68.49
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCN(C(=O)C[NH+]2CCC2)CC1	REAL300025429985	1	55	0.0	-74.04	431.91	3.47	-70.57
C[NH+](C)CC(=O)NC12CCN(C(=O)CSC3=NNC(=O)[N-]3)C1CCCCC2	REAL300025430051	0	55	0.0	-73.79	409.12	3.52	-70.27
[N-]=[N+]=NCC(=O)NC12CCN(C(=O)CSC3=NC(=O)NN3)C1CCCCC2	REAL300025430056	0	49	0.0	-20.73	386.08	-0.87	-21.60
[N-]=[N+]=NCC(=O)N1CCC2(NC(=O)CSC3=NC(=O)NN3)CCCCCC12	REAL300025430114	0	49	0.0	-21.83	385.25	-0.89	-22.72
C[NH+](C)CC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCCCC12	REAL300025430120	0	55	0.0	-69.95	409.10	3.53	-66.42
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430288	0	50	0.0	-70.70	408.84	2.76	-67.94
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430288	1	50	0.0	-74.48	402.78	2.27	-72.21
C[N@@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025430312	1	51	0.0	-85.62	420.16	2.18	-83.44
C[N@H+]1CCOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025430312	1	51	0.0	-78.45	423.49	1.90	-76.55
CC1=[NH+]C=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430448	1	48	0.0	-62.34	414.73	3.03	-59.31
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)CC[N@@H+]1C	REAL300025430464	0	53	0.0	-69.81	419.40	2.70	-67.11
C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)CC[N@H+]1C	REAL300025430464	1	53	0.0	-75.38	424.87	3.21	-72.17
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)C1CCC1	REAL300025430488	0	53	0.0	-68.99	432.17	3.45	-65.54
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)C1CCC1	REAL300025430488	1	53	0.0	-65.50	431.57	3.41	-62.09
C[NH+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)CC1	REAL300025430512	0	53	0.0	-67.94	429.89	3.08	-64.86
CC1=C[NH+]=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430527	1	48	0.0	-68.43	414.78	3.77	-64.66
C[N@@H+]1CCC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025430534	0	53	0.0	-75.91	429.39	3.33	-72.58
C[N@H+]1CCC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025430534	1	53	0.0	-74.96	428.95	3.34	-71.62
CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)[NH+](C)C	REAL300025430537	0	52	0.0	-66.05	415.71	2.42	-63.63
C[NH+](C)CCCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430548	0	55	0.0	-68.97	450.66	3.56	-65.41
CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430552	0	55	0.0	-76.24	444.45	3.68	-72.56
CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430552	1	55	0.0	-76.23	444.33	3.66	-72.57
CCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430553	0	52	0.0	-66.78	424.53	2.83	-63.95
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430553	1	52	0.0	-66.94	424.53	2.82	-64.12
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430565	0	50	0.0	-66.99	402.79	2.25	-64.74
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430565	1	50	0.0	-70.47	408.69	2.79	-67.68
CC[NH+](CC)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430573	0	52	0.0	-65.55	416.88	2.49	-63.06
C[NH+](C)CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)CC1	REAL300025430618	0	53	0.0	-75.06	432.02	3.53	-71.53
C[NH+]1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)CC1	REAL300025430634	0	53	0.0	-67.94	429.89	3.08	-64.86
CC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430660	0	52	0.0	-75.45	422.95	2.94	-72.51
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430660	1	52	0.0	-75.39	422.83	2.92	-72.47
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430669	0	53	0.0	-71.82	428.20	3.52	-68.30
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430669	1	53	0.0	-71.83	427.70	3.38	-68.45
CC1CC[N@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025430670	0	53	0.0	-73.60	428.96	3.38	-70.22
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025430670	1	53	0.0	-70.15	431.40	3.14	-67.01
CC[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)[NH+](C)C	REAL300025430672	0	52	0.0	-70.33	413.06	2.77	-67.56
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430701	0	46	0.0	-74.62	382.83	1.74	-72.88
CN1C=C[N+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)=C1	REAL300025430702	0	48	0.0	-61.85	414.12	5.24	-56.61
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025430705	0	53	0.0	-74.37	427.35	3.36	-71.01
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025430705	1	53	0.0	-63.32	424.43	3.28	-60.04
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)[NH+]1CCC1	REAL300025430711	1	50	0.0	-63.71	413.46	2.49	-61.22
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)C1CC1	REAL300025430720	0	50	0.0	-71.42	412.12	3.13	-68.29
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)C1CC1	REAL300025430720	1	50	0.0	-64.89	414.70	2.82	-62.07
C[NH+]1CC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025430729	0	50	0.0	-69.75	417.52	2.28	-67.47
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)[NH+](C)C	REAL300025430741	0	49	0.0	-73.01	400.90	2.14	-70.87
[N-]=[N+]=NCC(=O)NC1CN(C(=O)CSC2=NC(=O)NN2)CC12CC2	REAL300025430748	0	40	0.0	-21.97	359.69	-2.71	-24.68
C[N@H+](CCO)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430775	0	53	0.0	-74.77	433.18	-0.30	-75.07
C[N@@H+](CCO)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430775	1	53	0.0	-74.50	433.29	-0.29	-74.79
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)[NH+](C)C	REAL300025430776	0	49	0.0	-73.01	400.90	2.14	-70.87
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430779	0	53	0.0	-63.46	417.96	2.84	-60.62
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430779	1	53	0.0	-68.92	428.04	3.07	-65.85
C[N@@H+]1CCC(=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025430811	0	51	0.0	-68.33	420.69	3.25	-65.08
C[N@H+]1CCC(=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025430811	1	51	0.0	-68.53	420.71	3.31	-65.22
C[NH+](C)CCOCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430819	0	53	0.0	-73.31	438.69	2.80	-70.51
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)[NH+](C)C	REAL300025430829	0	49	0.0	-72.04	400.92	2.15	-69.89
CC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025430845	1	50	0.0	-74.48	414.00	2.86	-71.62
C[N@H+](CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430857	1	50	0.0	-68.15	413.38	-1.16	-69.31
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430857	1	50	0.0	-66.27	413.16	-1.16	-67.43
CC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)C[NH+](C)C	REAL300025430867	0	55	0.0	-75.26	440.01	3.74	-71.52
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430869	0	49	0.0	-66.30	403.07	2.09	-64.21
CC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430869	1	49	0.0	-66.57	403.03	2.07	-64.50
CC[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)C1CC1	REAL300025430878	0	53	0.0	-63.02	434.00	3.42	-59.60
CC[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)C1CC1	REAL300025430878	1	53	0.0	-71.70	428.87	3.76	-67.94
CC[NH+](CC)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430883	0	55	0.0	-66.98	443.24	3.34	-63.64
C[NH+](C)CC=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430896	0	50	0.0	-71.40	422.52	2.68	-68.72
COCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430903	1	53	0.0	-65.77	435.41	1.24	-64.53
COCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430903	1	53	0.0	-68.42	435.63	1.25	-67.17
CC(CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)[NH+](C)C	REAL300025430910	0	55	0.0	-77.76	436.47	3.47	-74.29
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430914	1	50	0.0	-69.76	417.75	2.42	-67.34
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430914	1	50	0.0	-73.68	414.42	2.70	-70.98
C=CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)[NH+](C)C	REAL300025430936	0	53	0.0	-65.28	428.97	2.90	-62.38
O=C(C[NH+]1CC2CC2C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430943	0	51	0.0	-66.54	420.63	3.29	-63.25
CCCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)[NH+](C)C	REAL300025430948	0	55	0.0	-67.42	437.20	3.19	-64.23
C[N@@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430958	0	53	0.0	-69.29	418.71	2.87	-66.42
C[N@H+]1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430958	1	53	0.0	-66.16	418.08	2.83	-63.33
O=C(CC[NH+]1CCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025430990	0	53	0.0	-74.95	431.06	3.43	-71.52
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025431025	0	52	0.0	-68.17	423.70	2.68	-65.49
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2)[NH+]1CC(C)C1	REAL300025431046	1	53	0.0	-63.66	433.23	3.15	-60.51
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025431047	1	50	0.0	-71.93	408.57	2.54	-69.39
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025431047	1	50	0.0	-72.03	408.56	2.53	-69.50
C[NH+](C)CC(O)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025431048	0	53	0.0	-78.64	435.52	0.73	-77.91
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)C1	REAL300025431075	0	53	0.0	-63.48	435.01	3.13	-60.35
CC(CC[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025431076	0	55	0.0	-68.40	445.33	3.29	-65.11
C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431242	0	50	0.0	-62.61	401.11	2.20	-60.41
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431242	1	50	0.0	-62.34	405.27	2.56	-59.78
C[N@@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025431268	1	51	0.0	-68.82	409.28	1.77	-67.05
C[N@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025431268	1	51	0.0	-61.11	411.02	1.46	-59.65
C[N@@H+]1CCC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025431418	0	53	0.0	-65.51	432.40	2.96	-62.55
C[N@H+]1CCC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025431418	1	53	0.0	-68.49	432.39	3.03	-65.46
CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+](C)C	REAL300025431421	0	52	0.0	-60.27	411.29	2.17	-58.10
C[NH+](C)CCCCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431431	0	55	0.0	-68.15	451.47	3.57	-64.58
CC(C)C(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+](C)C	REAL300025431436	0	55	0.0	-61.83	425.09	3.13	-58.70
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431437	0	55	0.0	-66.64	447.70	3.40	-63.24
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431437	1	55	0.0	-67.00	444.45	3.65	-63.35
CCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431438	0	52	0.0	-62.91	422.11	3.08	-59.83
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431438	1	52	0.0	-64.62	422.04	3.08	-61.54
C[NH+](C)CC1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)CC1	REAL300025431477	0	53	0.0	-67.74	432.93	2.95	-64.79
CC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431483	0	52	0.0	-66.50	422.95	2.91	-63.59
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431483	1	52	0.0	-66.11	426.17	2.64	-63.47
C[NH+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)CC1	REAL300025431507	0	53	0.0	-67.95	427.51	3.23	-64.72
CC(C)[C@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+](C)C	REAL300025431522	0	55	0.0	-62.68	426.13	3.25	-59.43
C[NH+](C)C1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)CCC1	REAL300025431546	0	53	0.0	-66.16	412.85	2.32	-63.84
CC1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431571	0	53	0.0	-61.61	427.20	3.43	-58.18
CC1CCC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431571	1	53	0.0	-60.10	428.03	3.45	-56.65
CC(C)[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+](C)C	REAL300025431582	0	55	0.0	-59.28	425.44	3.14	-56.14
CC1CC[N@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025431590	0	53	0.0	-62.89	431.40	3.08	-59.81
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025431590	1	53	0.0	-61.55	428.80	3.37	-58.18
CC[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+](C)C	REAL300025431592	0	52	0.0	-63.55	413.51	2.71	-60.84
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431631	1	48	0.0	-61.65	414.50	2.98	-58.67
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431649	1	48	0.0	-65.10	414.82	3.70	-61.40
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)CC[N@@H+]1C	REAL300025431650	0	53	0.0	-66.99	418.88	3.02	-63.97
C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)CC[N@H+]1C	REAL300025431650	1	53	0.0	-65.66	424.94	2.90	-62.76
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)C1CCC1	REAL300025431682	0	53	0.0	-62.79	428.99	3.65	-59.14
C[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)C1CCC1	REAL300025431682	1	53	0.0	-62.87	428.97	3.64	-59.23
C[NH+]1CCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)CC1	REAL300025431689	0	53	0.0	-67.95	427.51	3.23	-64.72
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431702	0	50	0.0	-62.18	401.13	2.16	-60.02
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431702	1	50	0.0	-62.11	408.30	2.26	-59.85
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431745	0	53	0.0	-64.99	418.40	2.64	-62.35
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431745	1	53	0.0	-64.83	418.02	2.63	-62.20
CC1C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)CC[N@@H+]1C	REAL300025431774	0	53	0.0	-65.40	427.26	2.75	-62.65
CC1C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)CC[N@H+]1C	REAL300025431774	1	53	0.0	-66.09	418.41	2.67	-63.42
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+](C)C	REAL300025431815	0	49	0.0	-60.69	399.37	2.02	-58.67
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CC[NH+]2CCCC2)CC12CC2	REAL300025431833	0	53	0.0	-66.18	429.57	3.33	-62.85
C[N@H+](CCO)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431838	1	50	0.0	-65.34	410.90	-0.90	-66.24
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431838	1	50	0.0	-62.56	410.75	-0.89	-63.45
CC1C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025431884	1	50	0.0	-62.14	414.08	2.74	-59.40
CC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431918	0	49	0.0	-64.32	400.58	2.34	-61.98
CC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431918	1	49	0.0	-64.34	400.55	2.35	-61.99
COCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431971	1	53	0.0	-62.28	433.00	1.51	-60.77
COCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025431971	1	53	0.0	-65.29	433.15	1.51	-63.78
CC(CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+](C)C	REAL300025431973	0	55	0.0	-66.97	439.72	3.17	-63.80
CC[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)C1CC1	REAL300025431978	0	53	0.0	-58.79	434.00	3.38	-55.41
CC[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)C1CC1	REAL300025431978	1	53	0.0	-62.50	427.42	3.32	-59.18
C[N@@H+]1CC2CC1(C(=O)N1CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C1)C2	REAL300025431991	0	51	0.0	-61.87	412.04	2.71	-59.16
C[N@H+]1CC2CC1(C(=O)N1CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C1)C2	REAL300025431991	1	51	0.0	-63.75	412.42	2.74	-61.01
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432000	0	52	0.0	-60.83	420.39	2.50	-58.33
C[NH+](C)C1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)CC1	REAL300025432006	0	50	0.0	-65.63	405.12	2.37	-63.26
C[C@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+](C)C	REAL300025432016	0	49	0.0	-62.97	399.42	2.03	-60.94
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432019	1	50	0.0	-63.68	413.98	2.61	-61.07
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432019	1	50	0.0	-63.36	417.71	2.42	-60.94
NC1=CC=[NH+]C=C1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432034	0	46	0.0	-62.94	394.45	-0.67	-63.61
CCCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+](C)C	REAL300025432038	0	55	0.0	-64.11	436.26	3.17	-60.94
C[NH+](C)C(C)(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432041	0	52	0.0	-61.01	405.14	1.98	-59.03
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432050	0	55	0.0	-69.06	446.24	3.13	-65.93
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[NH+]2CC3CC3C2)CC12CC2	REAL300025432110	0	51	0.0	-64.02	418.28	3.55	-60.47
C[N@@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432120	0	53	0.0	-64.99	418.40	2.64	-62.35
C[N@H+]1CCCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432120	1	53	0.0	-64.83	418.02	2.63	-62.20
C[N@@H+]1CCC(=CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025432148	0	51	0.0	-66.49	420.43	3.16	-63.33
C[N@H+]1CCC(=CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025432148	1	51	0.0	-70.19	420.44	3.20	-66.99
[N-]=[N+]=NCC(=O)N1CC(NC(=O)CSC2=NC(=O)NN2)C2(CC2)C1	REAL300025432155	0	40	0.0	-22.40	363.07	-3.00	-25.40
CCC1C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025432171	1	53	0.0	-63.26	435.44	3.51	-59.75
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432176	0	50	0.0	-61.62	405.63	2.45	-59.17
C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432176	1	50	0.0	-59.86	401.09	2.16	-57.70
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025432219	0	53	0.0	-67.66	435.58	3.14	-64.52
C[NH+](C)CCOCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432236	0	53	0.0	-67.02	441.94	2.53	-64.49
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[NH+]2CCCCC2)CC12CC2	REAL300025432270	0	53	0.0	-63.14	427.84	3.27	-59.87
C[N@@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025432271	0	53	0.0	-65.56	429.77	2.90	-62.66
C[N@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025432271	1	53	0.0	-60.66	421.98	3.06	-57.60
CN1C=C[N+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)=C1	REAL300025432272	0	48	0.0	-62.04	414.12	5.19	-56.85
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)C1CC1	REAL300025432282	0	50	0.0	-61.47	415.37	2.82	-58.65
C[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)C1CC1	REAL300025432282	1	50	0.0	-62.47	412.24	3.10	-59.37
CC(CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)C[NH+](C)C	REAL300025432290	0	55	0.0	-66.61	442.48	3.39	-63.22
C[NH+]1CC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025432340	0	50	0.0	-66.11	417.21	2.16	-63.95
C[NH+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432347	0	46	0.0	-65.15	386.07	1.42	-63.73
C[N@H+](CCO)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432357	0	53	0.0	-66.29	433.31	-0.30	-66.59
C[N@@H+](CCO)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432357	1	53	0.0	-66.13	436.51	-0.58	-66.71
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+](C)C	REAL300025432358	0	49	0.0	-60.69	399.37	2.02	-58.67
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+]1CC(C)C1	REAL300025432372	0	53	0.0	-63.24	430.45	3.18	-60.06
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432373	1	50	0.0	-63.34	414.08	2.75	-60.59
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432373	1	50	0.0	-61.67	416.73	2.40	-59.27
C[NH+](C)CC=CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432375	0	50	0.0	-70.09	417.58	2.87	-67.22
CC1(C)C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)C1	REAL300025432379	1	53	0.0	-64.39	433.36	3.29	-61.10
CC[NH+](CC)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432395	0	52	0.0	-62.69	417.66	2.49	-60.20
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[NH+]2CCC2)CC12CC2	REAL300025432400	1	47	0.0	-64.88	393.08	2.14	-62.74
CC[NH+](CC)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432420	0	55	0.0	-65.16	444.02	3.37	-61.79
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+]1CCC1	REAL300025432449	1	50	0.0	-62.57	403.15	2.23	-60.34
C[NH+](C)CC(C)(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432453	0	55	0.0	-65.26	425.59	2.56	-62.70
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432474	0	53	0.0	-65.23	418.40	2.64	-62.59
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432474	1	53	0.0	-61.12	423.25	3.22	-57.90
C[NH+](C)CC(O)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300025432484	0	53	0.0	-70.25	438.68	0.50	-69.75
C=CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1)[NH+](C)C	REAL300025432496	0	53	0.0	-61.47	425.35	2.76	-58.71
NC(=[NH2+])SCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025432519	0	44	0.0	-76.41	391.35	-1.38	-77.79
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025432573	0	50	0.0	-66.94	412.44	2.53	-64.41
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025432573	1	50	0.0	-67.67	406.11	2.00	-65.67
O=C(C[NH+]1CCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CC2	REAL300025432580	0	53	0.0	-64.73	424.52	3.57	-61.16
CC1C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)CC[N@@H+]1C	REAL300025432583	0	53	0.0	-70.54	432.11	3.03	-67.51
CC1C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)CC[N@H+]1C	REAL300025432583	1	53	0.0	-68.77	427.05	2.83	-65.94
C[NH+](C)CC(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025432725	0	52	0.0	-71.34	408.61	3.62	-67.72
C[C@@H](C(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025432730	0	55	0.0	-70.39	425.88	3.99	-66.40
[N-]=[N+]=NCC(=O)N1CCC(C2CCCN2C(=O)CSC2=NC(=O)NN2)C1	REAL300025432733	0	46	0.0	-24.10	386.82	-0.62	-24.72
C[C@@H](C(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025432743	0	55	0.0	-70.39	425.88	3.99	-66.40
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1CCN(C(=O)C[NH+]2CCC2)C1	REAL300025432751	1	53	0.0	-71.61	418.61	4.08	-67.53
C[C@H](C(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025432756	0	55	0.0	-72.02	427.39	4.12	-67.90
CC[N@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025432768	0	55	0.0	-71.97	427.58	4.47	-67.50
CC[N@@H+](C)CC(=O)N1CCC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025432768	1	55	0.0	-70.22	427.68	4.37	-65.85
C[C@@H](C(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025432906	0	55	0.0	-67.63	424.27	3.96	-63.67
CC[N@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025432924	0	55	0.0	-68.01	426.30	4.27	-63.74
CC[N@@H+](C)CC(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025432924	1	55	0.0	-67.94	425.86	4.24	-63.70
C[C@H](C(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025432933	0	55	0.0	-65.08	425.90	3.98	-61.10
[N-]=[N+]=NCC(=O)N1CCCC1C1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025432955	0	46	0.0	-24.14	387.33	-0.70	-24.84
C[NH+](C)CC(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025432980	0	52	0.0	-68.69	410.06	3.69	-65.00
C[C@@H](C(=O)N1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025432983	0	55	0.0	-67.63	424.27	3.96	-63.67
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CCCN2C(=O)C[NH+]2CCC2)C1	REAL300025432989	1	53	0.0	-68.80	420.36	4.15	-64.65
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@@H+]1C	REAL300025433184	0	52	0.0	-63.22	410.98	2.23	-60.99
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@H+]1C	REAL300025433184	1	52	0.0	-69.07	410.91	2.22	-66.85
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[N@H+](C)CCO1	REAL300025433208	1	53	0.0	-79.41	428.35	2.12	-77.29
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1C[N@@H+](C)CCO1	REAL300025433208	1	53	0.0	-78.96	421.57	2.03	-76.93
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN1C=C[NH+]=C1C	REAL300025433347	1	50	0.0	-68.03	420.97	3.38	-64.65
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025433365	0	55	0.0	-69.95	427.79	2.92	-67.03
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025433365	1	55	0.0	-65.90	432.73	2.87	-63.03
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1([NH+](C)C)CCC1	REAL300025433385	0	55	0.0	-62.80	425.12	3.16	-59.64
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H](C(C)C)[NH+](C)C	REAL300025433387	0	57	0.0	-67.55	437.07	3.81	-63.74
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)C1CCC1	REAL300025433396	0	55	0.0	-65.06	437.19	3.66	-61.40
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)C1CCC1	REAL300025433396	1	55	0.0	-65.91	437.05	3.65	-62.26
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300025433420	0	55	0.0	-72.30	435.01	3.32	-68.98
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300025433426	0	55	0.0	-67.80	424.55	3.19	-64.61
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300025433426	1	55	0.0	-61.84	432.96	3.30	-58.54
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN1C=[NH+]C=C1C	REAL300025433443	1	50	0.0	-68.90	421.01	4.11	-64.79
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CC[N@H+](C)C1	REAL300025433453	0	55	0.0	-70.51	437.31	3.32	-67.19
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1CC[N@@H+](C)C1	REAL300025433453	1	55	0.0	-71.66	438.24	3.37	-68.29
CCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CC)[NH+](C)C	REAL300025433456	0	54	0.0	-70.19	422.59	2.68	-67.51
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCCC[NH+](C)C	REAL300025433470	0	57	0.0	-69.17	456.31	3.81	-65.36
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C(C)C)[NH+](C)C	REAL300025433473	0	57	0.0	-62.79	434.74	3.25	-59.54
CCC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CC	REAL300025433474	0	57	0.0	-72.70	453.47	3.71	-68.99
CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CC	REAL300025433474	1	57	0.0	-68.97	452.54	3.62	-65.35
CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CC	REAL300025433475	0	54	0.0	-67.59	430.20	3.14	-64.45
CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CC	REAL300025433475	1	54	0.0	-67.33	430.16	3.11	-64.22
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300025433490	0	52	0.0	-68.56	418.21	2.82	-65.74
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C	REAL300025433490	1	52	0.0	-72.20	411.58	2.31	-69.89
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+](CC)CC	REAL300025433502	0	54	0.0	-66.22	427.03	3.03	-63.19
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1	REAL300025433556	0	55	0.0	-67.13	443.09	3.55	-63.58
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[NH+](C)CC1	REAL300025433578	0	55	0.0	-72.30	435.01	3.32	-68.98
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C	REAL300025433593	0	57	0.0	-69.13	441.32	3.76	-65.37
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[N@H+](C)CC	REAL300025433620	0	54	0.0	-68.25	431.04	2.88	-65.37
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[N@@H+](C)CC	REAL300025433620	1	54	0.0	-68.02	431.05	2.89	-65.13
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CCCC1C	REAL300025433630	0	55	0.0	-68.52	436.52	3.54	-64.98
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+]1CCCC1C	REAL300025433630	1	55	0.0	-68.02	430.24	3.15	-64.87
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CCC(C)C1	REAL300025433631	0	55	0.0	-66.98	436.34	3.40	-63.58
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+]1CCC(C)C1	REAL300025433631	1	55	0.0	-70.42	436.61	3.45	-66.97
CC[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CC)[NH+](C)C	REAL300025433633	0	54	0.0	-67.26	421.70	2.76	-64.50
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+](C)C	REAL300025433669	0	48	0.0	-71.65	391.91	1.80	-69.85
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N+]1=CN(C)C=C1	REAL300025433670	0	50	0.0	-66.04	422.17	5.20	-60.84
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@H+](C)C1	REAL300025433673	0	55	0.0	-63.70	430.20	3.60	-60.10
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCC[N@@H+](C)C1	REAL300025433673	1	55	0.0	-63.74	429.12	3.53	-60.21
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)[NH+]1CCC1	REAL300025433680	1	52	0.0	-65.41	418.19	2.69	-62.72
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)(C)C[NH+](C)C	REAL300025433683	0	57	0.0	-66.85	441.42	3.50	-63.35
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)C1CC1	REAL300025433690	0	52	0.0	-64.80	420.32	3.07	-61.73
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)C1CC1	REAL300025433690	1	52	0.0	-64.90	420.18	3.07	-61.83
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1C[NH+](C)C1	REAL300025433701	0	52	0.0	-66.13	422.24	2.49	-63.64
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H](C)[NH+](C)C	REAL300025433713	0	51	0.0	-63.89	408.56	2.06	-61.83
CC[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@@H]1NC(=O)CN=[N+]=[N-]	REAL300025433720	0	42	0.0	-22.87	368.21	-2.62	-25.49
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H](C)[NH+](C)C	REAL300025433751	0	51	0.0	-63.89	408.56	2.06	-61.83
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025433754	0	55	0.0	-66.68	432.72	3.32	-63.36
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1C	REAL300025433754	1	55	0.0	-66.89	423.61	3.15	-63.74
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=C1CC[N@H+](C)C1	REAL300025433790	0	53	0.0	-73.49	430.75	3.31	-70.18
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=C1CC[N@@H+](C)C1	REAL300025433790	1	53	0.0	-69.28	429.77	3.20	-66.08
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H](C)[NH+](C)C	REAL300025433808	0	51	0.0	-70.57	410.15	2.20	-68.37
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CC(C)C1	REAL300025433824	1	52	0.0	-71.47	421.35	2.92	-68.55
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)CCO	REAL300025433837	1	52	0.0	-67.11	419.06	-0.84	-67.95
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)CCO	REAL300025433837	1	52	0.0	-72.04	419.12	-0.79	-72.83
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC(C)C[NH+](C)C	REAL300025433849	0	57	0.0	-72.39	448.27	3.78	-68.61
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](C)CC	REAL300025433851	0	51	0.0	-71.00	408.97	2.44	-68.56
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](C)CC	REAL300025433851	1	51	0.0	-71.18	408.98	2.44	-68.74
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+](CC)C1CC1	REAL300025433861	0	55	0.0	-64.67	436.96	3.68	-60.99
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+](CC)C1CC1	REAL300025433861	1	55	0.0	-68.11	440.54	3.80	-64.31
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[NH+](CC)CC	REAL300025433867	0	57	0.0	-67.11	448.90	3.60	-63.51
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C=CC[NH+](C)C	REAL300025433882	0	52	0.0	-69.01	426.87	2.89	-66.12
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCC(C)[NH+](C)C	REAL300025433899	0	57	0.0	-66.26	448.23	3.40	-62.86
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[N@@H+]1CC	REAL300025433903	1	52	0.0	-66.05	422.64	2.75	-63.30
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[N@H+]1CC	REAL300025433903	1	52	0.0	-66.27	422.54	2.63	-63.64
C=CCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CC)[NH+](C)C	REAL300025433924	0	55	0.0	-68.17	437.52	3.34	-64.83
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CC2CC2C1	REAL300025433932	0	53	0.0	-71.37	427.23	3.64	-67.73
CCCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CC)[NH+](C)C	REAL300025433937	0	57	0.0	-68.83	446.41	3.69	-65.14
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)(C)[NH+](C)C	REAL300025433939	0	54	0.0	-76.07	419.85	2.77	-73.30
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@@H+]1C	REAL300025433949	0	55	0.0	-67.80	424.55	3.19	-64.61
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CCCC[N@H+]1C	REAL300025433949	1	55	0.0	-61.84	432.96	3.30	-58.54
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1([NH+](C)C)CC1	REAL300025433985	0	52	0.0	-75.87	409.87	3.23	-72.64
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC[NH+]1CCCC1	REAL300025433986	0	55	0.0	-71.47	439.90	3.50	-67.97
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CC(C1)C[N@@H+]2C	REAL300025433996	0	53	0.0	-64.03	423.88	2.63	-61.40
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C12CC(C1)C[N@H+]2C	REAL300025433996	1	53	0.0	-70.49	423.13	2.96	-67.53
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)C[NH+](C)C	REAL300025434031	0	54	0.0	-71.31	430.32	3.07	-68.24
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)[NH+]1CC(C)C1	REAL300025434051	1	55	0.0	-64.34	438.94	3.46	-60.88
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@@H+]1CCC1C	REAL300025434052	1	52	0.0	-68.76	417.65	2.57	-66.19
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[N@H+]1CCC1C	REAL300025434052	1	52	0.0	-66.67	422.20	2.75	-63.92
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025434083	0	55	0.0	-73.02	440.81	3.49	-69.53
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C(C)CC[NH+](C)C	REAL300025434084	0	57	0.0	-68.73	450.57	3.61	-65.12
CC[C@@H]1CN(C(=O)C2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434253	0	52	0.0	-63.04	413.81	2.59	-60.45
CC[C@@H]1CN(C(=O)C2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434253	1	52	0.0	-59.77	414.40	2.43	-57.34
CC[C@@H]1CN(C(=O)C2C[N@H+](C)CCO2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434279	1	53	0.0	-73.70	423.72	1.89	-71.81
CC[C@@H]1CN(C(=O)C2C[N@@H+](C)CCO2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434279	1	53	0.0	-70.49	416.77	1.72	-68.77
CC[C@@H]1CN(C(=O)CC2CC[N@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434429	0	55	0.0	-66.11	437.65	3.30	-62.81
CC[C@@H]1CN(C(=O)CC2CC[N@@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434429	1	55	0.0	-66.80	437.77	3.22	-63.58
CCC(C(=O)N1C[C@@H](CC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025434432	0	54	0.0	-60.49	417.46	2.53	-57.96
CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434442	0	57	0.0	-68.80	456.95	3.89	-64.91
CC[C@@H]1CN(C(=O)C(C(C)C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434445	0	57	0.0	-62.56	433.62	3.24	-59.32
CCC[N@H+](C)CCC(=O)N1C[C@@H](CC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025434446	0	57	0.0	-65.41	452.57	3.63	-61.78
CCC[N@@H+](C)CCC(=O)N1C[C@@H](CC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025434446	1	57	0.0	-65.16	452.55	3.60	-61.56
CCC[N@H+](C)CC(=O)N1C[C@@H](CC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025434447	0	54	0.0	-63.84	430.02	3.07	-60.77
CCC[N@@H+](C)CC(=O)N1C[C@@H](CC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025434447	1	54	0.0	-65.14	430.49	3.13	-62.01
CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434486	0	55	0.0	-59.28	437.38	3.24	-56.04
CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434492	0	54	0.0	-64.55	431.05	2.86	-61.69
CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434492	1	54	0.0	-64.25	431.05	2.88	-61.37
CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434514	0	55	0.0	-78.79	435.38	3.24	-75.55
CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434529	0	57	0.0	-63.52	433.47	3.09	-60.43
CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434551	0	55	0.0	-67.00	418.82	2.66	-64.34
CC[C@@H]1CN(C(=O)C[N@@H+]2CCCC2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434575	0	55	0.0	-62.11	436.50	3.49	-58.62
CC[C@@H]1CN(C(=O)C[N@H+]2CCCC2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434575	1	55	0.0	-61.87	430.58	3.10	-58.77
CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434586	0	57	0.0	-61.08	435.10	3.58	-57.50
CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434594	0	55	0.0	-62.45	436.32	3.32	-59.13
CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434594	1	55	0.0	-61.81	436.42	3.35	-58.46
CC[C@@H](C(=O)N1C[C@@H](CC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025434596	0	54	0.0	-62.93	421.32	2.79	-60.14
CC[C@@H]1CN(C(=O)CN2C=C[NH+]=C2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434633	1	50	0.0	-62.94	421.41	3.34	-59.60
CC[C@@H]1CN(C(=O)CN2C=[NH+]C=C2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434651	1	50	0.0	-64.71	419.96	4.03	-60.68
CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434652	0	55	0.0	-63.67	427.05	2.59	-61.08
CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434652	1	55	0.0	-62.06	433.16	2.81	-59.25
CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434682	0	55	0.0	-61.76	436.89	3.65	-58.11
CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434682	1	55	0.0	-62.23	436.88	3.64	-58.59
CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434688	0	55	0.0	-78.79	435.38	3.24	-75.55
CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434701	0	52	0.0	-63.09	414.06	2.60	-60.49
CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434701	1	52	0.0	-64.88	410.65	2.20	-62.68
CC[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434744	0	55	0.0	-62.89	430.30	3.14	-59.75
CC[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434744	1	55	0.0	-58.36	431.43	3.17	-55.19
CC[C@@H]1CN(C(=O)C2CC[N@H+](C)C2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434773	0	55	0.0	-63.72	429.04	2.76	-60.96
CC[C@@H]1CN(C(=O)C2CC[N@@H+](C)C2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434773	1	55	0.0	-62.34	432.33	3.25	-59.09
CC[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434814	0	51	0.0	-60.55	407.55	1.97	-58.58
CC[C@@H]1CN(C(=O)CC[NH+]2CCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434832	0	55	0.0	-64.94	438.10	3.34	-61.60
CC[C@@H]1CN(C(=O)C[N@H+](C)CCO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434837	1	52	0.0	-65.29	419.33	-0.84	-66.13
CC[C@@H]1CN(C(=O)C[N@@H+](C)CCO)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434837	1	52	0.0	-64.14	418.65	-0.92	-65.06
CC[C@@H]1CN(C(=O)C[NH+]2CC(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434880	1	52	0.0	-64.83	423.28	2.83	-62.00
CC[C@@H]1CN(C(=O)C[N@H+](C)CC)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434912	0	51	0.0	-62.40	408.68	2.28	-60.12
CC[C@@H]1CN(C(=O)C[N@@H+](C)CC)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434912	1	51	0.0	-63.46	408.25	2.32	-61.14
CC[C@@H]1CN(C(=O)CCC(C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434965	0	57	0.0	-67.59	444.90	3.48	-64.11
CC[C@@H]1CN(C(=O)C[N@H+](CC)C2CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434970	0	55	0.0	-59.25	435.49	3.38	-55.87
CC[C@@H]1CN(C(=O)C[N@@H+](CC)C2CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434970	1	55	0.0	-61.82	441.18	3.79	-58.03
CC[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434983	0	53	0.0	-60.64	418.77	2.69	-57.95
CC[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434983	1	53	0.0	-65.66	418.96	2.94	-62.72
CC[C@@H]1CN(C(=O)C(C)C[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434992	0	54	0.0	-61.04	427.46	2.80	-58.24
CC[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434998	0	52	0.0	-64.53	406.81	2.74	-61.79
CC[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435008	0	51	0.0	-63.95	407.22	1.96	-61.99
CC[C@@H]1CN(C(=O)C2CC[N@@H+]2CC)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435011	1	52	0.0	-60.94	414.03	2.27	-58.67
CC[C@@H]1CN(C(=O)C2CC[N@H+]2CC)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435011	1	52	0.0	-61.03	415.04	2.31	-58.72
CC[C@@H]1CN(C(=O)C2=C[NH+]=CC=C2N)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435022	0	48	0.0	-63.44	399.31	-0.34	-63.78
CCCC(C(=O)N1C[C@@H](CC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025435026	0	57	0.0	-62.79	441.03	3.40	-59.39
CC[C@@H]1CN(C(=O)C(C)(C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435029	0	54	0.0	-65.62	410.59	2.10	-63.52
CC[C@@H]1CN(C(=O)C(C)CC[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435038	0	57	0.0	-65.74	446.64	3.23	-62.51
CC[C@@H]1CN(C(=O)C[NH+]2CC3CC3C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435097	0	53	0.0	-63.49	426.49	3.55	-59.94
CC[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435105	0	55	0.0	-62.89	430.30	3.14	-59.75
CC[C@@H]1CN(C(=O)C2CCCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435105	1	55	0.0	-58.36	431.43	3.17	-55.19
CC[C@@H]1CN(C(=O)C=C2CC[N@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435130	0	53	0.0	-68.28	428.88	3.16	-65.12
CC[C@@H]1CN(C(=O)C=C2CC[N@@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435130	1	53	0.0	-70.14	429.02	3.25	-66.89
CC[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025435137	0	42	0.0	-22.88	368.55	-2.69	-25.57
CCC1C[NH+](CC(=O)N2C[C@@H](CC)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025435153	0	55	0.0	-64.59	443.66	3.53	-61.06
CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435158	0	52	0.0	-62.11	410.55	2.18	-59.93
CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435158	1	52	0.0	-60.53	413.96	2.43	-58.10
CC[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435198	0	55	0.0	-67.75	440.38	3.39	-64.36
CC[C@@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435239	0	55	0.0	-63.72	432.97	3.54	-60.18
CC[C@@H]1CN(C(=O)C2CCC[N@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435240	0	55	0.0	-65.70	425.50	3.32	-62.38
CC[C@@H]1CN(C(=O)C2CCC[N@@H+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435240	1	55	0.0	-68.13	436.24	3.21	-64.92
CC[C@@H]1CN(C(=O)C[N+]2=CN(C)C=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435241	0	50	0.0	-63.66	423.10	5.23	-58.43
CC[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435251	0	52	0.0	-61.33	420.18	3.09	-58.24
CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435251	1	52	0.0	-61.43	420.06	3.07	-58.36
CC[C@@H]1CN(C(=O)CC(C)C[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435259	0	57	0.0	-66.92	447.96	3.70	-63.22
CC[C@@H]1CN(C(=O)CC2C[NH+](C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435308	0	52	0.0	-63.88	422.21	2.47	-61.41
CC[C@@H]1CN(C(=O)C[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435315	0	48	0.0	-63.41	390.91	1.61	-61.80
CC[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435323	0	51	0.0	-60.55	407.55	1.97	-58.58
CC[C@@H]1CN(C(=O)C(C)[NH+]2CC(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435337	0	55	0.0	-63.72	439.30	3.26	-60.46
CC[C@@H]1CN(C(=O)C[N@@H+]2CCC2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435338	1	52	0.0	-62.05	422.35	2.75	-59.30
CC[C@@H]1CN(C(=O)C[N@H+]2CCC2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435338	1	52	0.0	-64.25	422.56	2.82	-61.43
CC[C@@H]1CN(C(=O)C=CC[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435340	0	52	0.0	-66.64	427.20	2.85	-63.79
CC[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435344	1	55	0.0	-63.44	441.62	3.29	-60.15
CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435357	0	54	0.0	-62.53	427.22	3.03	-59.50
CC[C@@H]1CN(C(=O)C[NH+]2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435362	1	49	0.0	-64.91	402.30	2.22	-62.69
CC[C@@H]1CN(C(=O)CC[NH+](CC)CC)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435380	0	57	0.0	-65.81	449.20	3.67	-62.14
CC[C@@H]1CN(C(=O)C(C)[NH+]2CCC2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435408	1	52	0.0	-64.75	413.72	2.32	-62.43
CC[C@@H]1CN(C(=O)C(C)(C)C[NH+](C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435412	0	57	0.0	-64.65	429.94	2.69	-61.96
CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435432	0	55	0.0	-62.85	430.55	3.15	-59.70
CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435432	1	55	0.0	-65.46	423.64	2.96	-62.50
C=CCC(C(=O)N1C[C@@H](CC)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025435451	0	55	0.0	-61.25	432.93	3.09	-58.16
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CSC(N)=[NH2+]	REAL300025435474	0	46	0.0	-72.56	399.17	-1.28	-73.84
CCC1C[NH+](CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2CC)C1	REAL300025435529	1	55	0.0	-68.15	443.40	3.48	-64.67
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025435533	0	52	0.0	-68.30	411.54	2.32	-65.98
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300025435533	1	52	0.0	-63.28	416.60	2.62	-60.66
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C[NH+]1CCCCC1	REAL300025435540	0	55	0.0	-67.13	432.49	3.59	-63.54
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[N@H+](C)C1C	REAL300025435544	0	55	0.0	-64.99	427.71	2.89	-62.10
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1CC[N@@H+](C)C1C	REAL300025435544	1	55	0.0	-70.95	433.15	2.97	-67.98
C[NH+](C)CC(=O)N1CC23CCCC2(CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025435624	0	53	0.0	-72.47	414.04	3.37	-69.10
[N-]=[N+]=NCC(=O)N1CC23CCCC2(C1)CN(C(=O)CSC1=NC(=O)NN1)C3	REAL300025435629	0	47	0.0	-24.75	391.01	-1.02	-25.77
[N-]=[N+]=NCC(=O)N1CC23CCCC2(C1)CN(C(=O)CSC1=NC(=O)NN1)C3	REAL300025435694	0	47	0.0	-24.75	391.01	-1.02	-25.77
C[NH+](C)CC(=O)N1CC23CCCC2(CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025435703	0	53	0.0	-72.47	414.04	3.37	-69.10
C[N@@H+]1CCCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025435812	0	55	0.0	-73.70	421.64	3.20	-70.50
C[N@H+]1CCCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025435812	1	55	0.0	-73.53	421.40	3.21	-70.32
CCC(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025435912	0	57	0.0	-69.64	432.22	3.63	-66.01
CCC[N@H+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025435917	0	57	0.0	-73.37	441.06	4.06	-69.31
CCC[N@@H+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025435917	1	57	0.0	-72.84	440.67	4.07	-68.77
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025435925	0	55	0.0	-70.60	421.39	3.21	-67.39
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025435925	1	55	0.0	-70.00	426.80	3.72	-66.28
CC[NH+](CC)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025435930	0	57	0.0	-71.19	437.92	4.01	-67.18
CC[N@H+](C)CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025435986	0	57	0.0	-75.18	441.93	3.85	-71.33
CC[N@@H+](C)CCC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025435986	1	57	0.0	-74.93	441.54	3.88	-71.05
CC[C@@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025435989	0	57	0.0	-69.50	432.47	3.64	-65.86
C[NH+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436007	0	51	0.0	-73.32	401.44	2.66	-70.66
CC(C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025436011	1	55	0.0	-70.47	430.02	3.72	-66.75
C[N@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025436017	0	55	0.0	-70.01	430.71	4.07	-65.94
C[N@@H+](CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025436017	1	55	0.0	-70.34	430.85	4.07	-66.27
C[NH+]1CC(CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025436023	0	55	0.0	-73.68	432.88	3.49	-70.19
C[C@@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025436030	0	54	0.0	-71.08	419.93	3.05	-68.03
[N-]=[N+]=NCC(=O)NCC1CCCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025436033	0	45	0.0	-24.88	378.84	-1.74	-26.62
C[C@@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025436051	0	54	0.0	-71.08	419.93	3.05	-68.03
O=C(C[NH+]1CCC1)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436069	1	52	0.0	-73.67	411.92	3.08	-70.59
C[C@H](C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025436080	0	54	0.0	-71.04	419.95	3.06	-67.98
CC1C[NH+](CC(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025436086	1	55	0.0	-73.79	431.90	3.81	-69.98
CC[N@H+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436103	0	54	0.0	-72.96	419.56	3.32	-69.64
CC[N@@H+](C)CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436103	1	54	0.0	-72.86	419.56	3.32	-69.54
C[NH+](C)CC=CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436119	0	55	0.0	-78.99	439.04	3.89	-75.10
CC[N@@H+]1CCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436125	1	55	0.0	-72.41	425.69	3.52	-68.89
CC[N@H+]1CCC1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436125	1	55	0.0	-72.20	433.02	3.69	-68.51
C[NH+](C)C(C)(C)C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436138	0	57	0.0	-76.01	429.29	3.79	-72.22
C[NH+](C)C1(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025436160	0	55	0.0	-78.56	423.65	4.05	-74.51
CC(C[NH+](C)C)C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436182	0	57	0.0	-75.27	440.28	3.93	-71.34
CC1CC[N@@H+]1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436191	1	55	0.0	-70.71	427.18	3.48	-67.23
CC1CC[N@H+]1CC(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436191	1	55	0.0	-71.70	432.95	3.72	-67.98
C[N@@H+]1CCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436300	0	55	0.0	-69.45	423.74	3.32	-66.13
C[N@H+]1CCCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436300	1	55	0.0	-70.08	424.62	3.41	-66.67
CCC(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025436371	0	57	0.0	-71.94	429.01	3.57	-68.37
CCC[N@H+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436375	0	57	0.0	-73.17	441.07	3.98	-69.19
CCC[N@@H+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436375	1	57	0.0	-73.28	441.10	4.00	-69.28
CC[N@H+](C)CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436392	0	57	0.0	-75.25	441.89	3.83	-71.42
CC[N@@H+](C)CCC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436392	1	57	0.0	-75.29	441.90	3.83	-71.46
CC[C@@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025436432	0	57	0.0	-69.07	428.32	3.44	-65.63
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436478	0	55	0.0	-72.41	420.44	3.12	-69.29
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436478	1	55	0.0	-69.99	424.20	3.41	-66.58
C[C@@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025436532	0	54	0.0	-70.81	416.04	2.90	-67.91
CC1C[NH+](CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025436556	1	55	0.0	-73.82	431.72	3.76	-70.06
CC[N@H+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436574	0	54	0.0	-72.78	419.61	3.25	-69.53
CC[N@@H+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436574	1	54	0.0	-72.71	419.17	3.26	-69.45
CC(C[NH+](C)C)C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436604	0	57	0.0	-70.10	436.52	3.70	-66.40
C[NH+](C)C1(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025436607	0	55	0.0	-76.98	422.04	3.18	-73.80
C[C@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025436611	0	54	0.0	-71.91	417.27	2.89	-69.02
CC[N@@H+]1CCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436614	1	55	0.0	-70.65	425.53	3.26	-67.39
CC[N@H+]1CCC1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436614	1	55	0.0	-72.75	432.90	3.53	-69.22
C[NH+](C)C(C)(C)C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436622	0	57	0.0	-73.65	422.01	3.02	-70.63
[N-]=[N+]=NCC(=O)N1CCCC(CNC(=O)CSC2=NC(=O)NN2)CC1	REAL300025436668	0	45	0.0	-24.96	378.40	-1.83	-26.79
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436681	0	55	0.0	-70.05	423.84	3.40	-66.65
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436681	1	55	0.0	-71.83	418.48	3.00	-68.83
C[N@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025436718	0	55	0.0	-70.76	431.21	3.97	-66.79
C[N@@H+](CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025436718	1	55	0.0	-70.60	431.22	3.98	-66.62
C[NH+]1CC(CC(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025436746	0	55	0.0	-73.90	433.22	3.43	-70.47
C[NH+](C)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436749	0	51	0.0	-73.48	401.43	2.59	-70.89
C[C@@H](C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025436752	0	54	0.0	-70.81	416.04	2.90	-67.91
CC1CC[N@@H+]1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436759	1	55	0.0	-71.82	433.19	3.65	-68.17
CC1CC[N@H+]1CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436759	1	55	0.0	-71.81	432.77	3.66	-68.15
C[NH+](C)CC=CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436760	0	55	0.0	-74.73	437.50	3.85	-70.88
CC[NH+](CC)CC(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436766	0	57	0.0	-71.22	433.01	3.65	-67.57
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C[NH+]2CCC2)CC1	REAL300025436767	1	52	0.0	-73.36	411.54	3.00	-70.36
CC(C(=O)N1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025436789	1	55	0.0	-70.69	425.03	3.36	-67.33
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436857	0	55	0.0	-69.77	427.24	3.70	-66.07
C[N@H+]1CCC[C@H]1C(=O)NCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025436857	1	55	0.0	-73.87	421.81	3.19	-70.68
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1CCC[N@@H+]1C	REAL300025437040	0	52	0.0	-71.01	420.49	2.38	-68.63
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1CCC[N@H+]1C	REAL300025437040	1	52	0.0	-68.39	418.52	2.39	-66.00
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1C[N@H+](C)CCO1	REAL300025437064	1	53	0.0	-79.22	430.67	2.05	-77.17
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1C[N@@H+](C)CCO1	REAL300025437064	1	53	0.0	-79.20	430.67	2.13	-77.07
CC1=[NH+]C=CN1CC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437203	1	50	0.0	-68.65	429.88	3.36	-65.29
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025437221	0	55	0.0	-73.80	435.08	2.82	-70.98
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025437221	1	55	0.0	-71.34	440.54	3.32	-68.02
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1([NH+](C)C)CCC1	REAL300025437241	0	55	0.0	-67.18	431.89	3.27	-63.91
CC(C)[C@@H](C(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025437243	0	57	0.0	-67.20	446.27	3.53	-63.67
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N@H+](C)C1CCC1	REAL300025437252	0	55	0.0	-69.53	444.57	3.82	-65.71
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N@@H+](C)C1CCC1	REAL300025437252	1	55	0.0	-70.14	446.67	3.72	-66.42
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1CC[NH+](C)CC1	REAL300025437276	0	55	0.0	-75.32	445.03	3.40	-71.92
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1CCCC[N@@H+]1C	REAL300025437282	0	55	0.0	-70.69	442.35	3.44	-67.25
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1CCCC[N@H+]1C	REAL300025437282	1	55	0.0	-69.69	433.15	3.26	-66.43
CC1=C[NH+]=CN1CC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437299	1	50	0.0	-71.17	429.20	4.13	-67.04
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)CC1CC[N@H+](C)C1	REAL300025437309	0	55	0.0	-70.17	444.61	3.41	-66.76
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)CC1CC[N@@H+](C)C1	REAL300025437309	1	55	0.0	-72.45	445.20	3.41	-69.04
CCC(C(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025437312	0	54	0.0	-69.27	428.04	2.81	-66.46
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)CCCC[NH+](C)C	REAL300025437326	0	57	0.0	-71.13	463.81	3.96	-67.17
CC(C)C(C(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025437329	0	57	0.0	-67.29	448.07	3.90	-63.39
CCC[N@H+](C)CCC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437330	0	57	0.0	-71.74	460.04	3.79	-67.95
CCC[N@@H+](C)CCC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437330	1	57	0.0	-71.96	460.89	3.63	-68.33
CCC[N@H+](C)CC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437331	0	54	0.0	-72.40	439.68	3.15	-69.25
CCC[N@@H+](C)CC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437331	1	54	0.0	-72.72	439.72	3.24	-69.48
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300025437346	0	52	0.0	-68.05	423.60	2.68	-65.37
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300025437346	1	52	0.0	-73.18	420.39	2.39	-70.79
CC[NH+](CC)CC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437358	0	54	0.0	-69.20	430.03	2.92	-66.28
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1(C[NH+](C)C)CC1	REAL300025437412	0	55	0.0	-74.64	450.10	3.60	-71.04
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1CC[NH+](C)CC1	REAL300025437434	0	55	0.0	-75.32	445.03	3.40	-71.92
CC(C)[C@H](C(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025437449	0	57	0.0	-69.82	450.13	3.89	-65.93
CC[N@H+](C)CCC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437476	0	54	0.0	-70.97	439.40	2.89	-68.08
CC[N@@H+](C)CCC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437476	1	54	0.0	-73.69	440.51	2.94	-70.75
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N@@H+]1CCCC1C	REAL300025437486	0	55	0.0	-67.96	438.01	3.07	-64.89
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N@H+]1CCCC1C	REAL300025437486	1	55	0.0	-68.03	437.44	3.21	-64.82
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300025437487	0	55	0.0	-69.66	443.78	3.52	-66.14
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N@H+]1CCC(C)C1	REAL300025437487	1	55	0.0	-69.54	445.52	3.34	-66.20
CC[C@@H](C(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025437489	0	54	0.0	-68.80	427.19	2.80	-66.00
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[NH+](C)C	REAL300025437525	0	48	0.0	-70.93	398.45	1.84	-69.09
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N+]1=CN(C)C=C1	REAL300025437526	0	50	0.0	-68.20	429.68	5.35	-62.85
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1CCC[N@H+](C)C1	REAL300025437529	0	55	0.0	-73.02	445.01	3.36	-69.66
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1CCC[N@@H+](C)C1	REAL300025437529	1	55	0.0	-67.19	438.73	3.68	-63.51
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C(C)[NH+]1CCC1	REAL300025437536	1	52	0.0	-69.90	428.64	2.91	-66.99
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C(C)(C)C[NH+](C)C	REAL300025437539	0	57	0.0	-71.11	444.46	3.57	-67.54
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N@H+](C)C1CC1	REAL300025437546	0	52	0.0	-70.28	429.90	3.24	-67.04
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N@@H+](C)C1CC1	REAL300025437546	1	52	0.0	-68.32	428.57	3.09	-65.23
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)CC1C[NH+](C)C1	REAL300025437557	0	52	0.0	-72.03	431.86	2.55	-69.48
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)[C@H](C)[NH+](C)C	REAL300025437569	0	51	0.0	-68.26	416.57	2.24	-66.02
CC(CC1CN(C(=O)CSC2=NC(=O)NN2)C1)NC(=O)CN=[N+]=[N-]	REAL300025437576	0	42	0.0	-26.85	376.20	-2.72	-29.57
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)[C@H](C)[NH+](C)C	REAL300025437607	0	51	0.0	-68.26	416.57	2.24	-66.02
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025437610	0	55	0.0	-66.42	440.74	3.42	-63.00
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300025437610	1	55	0.0	-67.55	431.43	3.25	-64.30
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[NH+]1CCC1	REAL300025437637	1	49	0.0	-72.74	410.61	2.24	-70.50
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C=C1CC[N@H+](C)C1	REAL300025437646	0	53	0.0	-75.28	438.37	3.41	-71.87
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300025437646	1	53	0.0	-72.02	436.34	3.40	-68.62
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)[C@@H](C)[NH+](C)C	REAL300025437664	0	51	0.0	-69.75	416.28	2.26	-67.49
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[NH+]1CC(C)C1	REAL300025437680	1	52	0.0	-72.76	431.77	2.92	-69.84
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N@H+](C)CCO	REAL300025437693	1	52	0.0	-73.49	428.53	-0.83	-74.32
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N@@H+](C)CCO	REAL300025437693	1	52	0.0	-72.38	428.31	-0.84	-73.22
CC(CC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025437705	0	57	0.0	-74.47	455.57	3.82	-70.65
CC[N@H+](C)CC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437707	0	51	0.0	-72.03	418.18	2.40	-69.63
CC[N@@H+](C)CC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437707	1	51	0.0	-72.26	418.22	2.49	-69.77
CC[N@H+](CC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025437717	0	55	0.0	-69.48	449.61	3.78	-65.70
CC[N@@H+](CC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025437717	1	55	0.0	-68.75	439.84	3.75	-65.00
CC[NH+](CC)CCC(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437723	0	57	0.0	-70.20	456.40	3.75	-66.45
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[NH+]1CC(C)(C)C1	REAL300025437731	1	55	0.0	-70.60	449.28	3.51	-67.09
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C=CC[NH+](C)C	REAL300025437738	0	52	0.0	-73.64	434.41	3.05	-70.59
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)CCC(C)[NH+](C)C	REAL300025437755	0	57	0.0	-69.85	455.73	3.56	-66.29
CC[N@@H+]1CCC1C(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437759	1	52	0.0	-71.83	432.07	2.69	-69.14
CC[N@H+]1CCC1C(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025437759	1	52	0.0	-70.43	425.06	2.47	-67.96
C=CCC(C(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025437780	0	55	0.0	-68.80	441.27	3.30	-65.50
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[NH+]1CC2CC2C1	REAL300025437788	0	53	0.0	-72.77	435.83	3.71	-69.06
CCCC(C(=O)NC(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025437793	0	57	0.0	-70.93	449.53	3.59	-67.34
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C(C)(C)[NH+](C)C	REAL300025437795	0	54	0.0	-74.21	424.30	2.96	-71.25
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1CCCC[N@@H+]1C	REAL300025437805	0	55	0.0	-70.69	442.35	3.44	-67.25
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1CCCC[N@H+]1C	REAL300025437805	1	55	0.0	-69.69	433.15	3.26	-66.43
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1([NH+](C)C)CC1	REAL300025437841	0	52	0.0	-71.76	419.74	2.77	-68.99
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)CC[NH+]1CCCC1	REAL300025437842	0	55	0.0	-70.72	446.78	3.56	-67.16
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C12CC(C1)C[N@@H+]2C	REAL300025437852	0	53	0.0	-67.27	427.01	2.92	-64.35
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C12CC(C1)C[N@H+]2C	REAL300025437852	1	53	0.0	-76.84	432.64	3.00	-73.84
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C(C)C[NH+](C)C	REAL300025437887	0	54	0.0	-67.25	434.93	3.19	-64.06
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C(C)[NH+]1CC(C)C1	REAL300025437907	0	55	0.0	-70.03	449.71	3.52	-66.51
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N@@H+]1CCC1C	REAL300025437908	1	52	0.0	-71.02	431.79	2.95	-68.07
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[N@H+]1CCC1C	REAL300025437908	1	52	0.0	-68.47	424.22	2.65	-65.82
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025437939	0	55	0.0	-70.74	449.97	3.48	-67.26
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C(C)CC[NH+](C)C	REAL300025437940	0	57	0.0	-69.97	458.49	3.73	-66.24
CC(CC1CN(C(=O)C2CCC[N@@H+]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438109	0	52	0.0	-64.35	421.07	2.55	-61.80
CC(CC1CN(C(=O)C2CCC[N@H+]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438109	1	52	0.0	-65.66	419.40	2.28	-63.38
CC(CC1CN(C(=O)C2C[N@H+](C)CCO2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438135	1	53	0.0	-67.47	426.16	1.94	-65.53
CC(CC1CN(C(=O)C2C[N@@H+](C)CCO2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438135	1	53	0.0	-67.38	426.47	1.88	-65.50
CC(CC1CN(C(=O)CC2CC[N@H+](C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438285	0	55	0.0	-73.15	446.81	3.40	-69.75
CC(CC1CN(C(=O)CC2CC[N@@H+](C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438285	1	55	0.0	-69.88	445.56	3.36	-66.52
CCC(C(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025438288	0	54	0.0	-65.10	430.62	2.72	-62.38
CC(CC1CN(C(=O)CCCC[NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438298	0	57	0.0	-69.86	463.83	3.96	-65.90
CC(C)C(C(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025438301	0	57	0.0	-63.05	443.36	3.44	-59.61
CCC[N@H+](C)CCC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025438302	0	57	0.0	-68.18	460.04	3.78	-64.40
CCC[N@@H+](C)CCC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025438302	1	57	0.0	-68.66	460.90	3.64	-65.02
CCC[N@H+](C)CC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025438303	0	54	0.0	-66.59	438.54	3.09	-63.50
CCC[N@@H+](C)CC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025438303	1	54	0.0	-68.06	439.64	3.12	-64.94
CC(CC1CN(C(=O)C2(C[NH+](C)C)CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438342	0	55	0.0	-72.52	451.61	3.50	-69.02
CC[N@H+](C)CCC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025438348	0	54	0.0	-70.53	440.50	2.93	-67.60
CC[N@@H+](C)CCC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025438348	1	54	0.0	-68.16	439.41	2.90	-65.26
CC(CC1CN(C(=O)C2CC[NH+](C)CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438370	0	55	0.0	-75.00	442.48	3.24	-71.76
CC(C)[C@H](C(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025438385	0	57	0.0	-67.59	443.36	3.20	-64.39
CC(CC1CN(C(=O)C2([NH+](C)C)CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438407	0	55	0.0	-71.00	428.88	3.02	-67.98
CC(CC1CN(C(=O)C[N@@H+]2CCCC2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438431	0	55	0.0	-65.38	445.35	3.39	-61.99
CC(CC1CN(C(=O)C[N@H+]2CCCC2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438431	1	55	0.0	-64.77	439.05	3.17	-61.60
CC(C)[C@@H](C(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025438442	0	57	0.0	-63.97	444.40	3.65	-60.32
CC(CC1CN(C(=O)C[N@@H+]2CCC(C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438450	0	55	0.0	-65.38	444.64	3.35	-62.03
CC(CC1CN(C(=O)C[N@H+]2CCC(C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438450	1	55	0.0	-67.33	446.58	3.37	-63.96
CC[C@@H](C(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025438452	0	54	0.0	-65.12	430.78	2.73	-62.39
CC1=[NH+]C=CN1CC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025438489	1	50	0.0	-66.82	429.82	3.32	-63.50
CC1=C[NH+]=CN1CC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025438507	1	50	0.0	-67.86	430.18	4.05	-63.81
CC(CC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438508	0	55	0.0	-66.44	436.61	2.93	-63.51
CC(CC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438508	1	55	0.0	-66.34	442.40	2.93	-63.41
CC(CC1CN(C(=O)C[N@H+](C)C2CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438538	0	55	0.0	-66.11	446.65	3.71	-62.40
CC(CC1CN(C(=O)C[N@@H+](C)C2CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438538	1	55	0.0	-64.56	445.42	3.66	-60.90
CC(CC1CN(C(=O)C2CC[NH+](C)CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438544	0	55	0.0	-75.00	442.48	3.24	-71.76
CC(CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438557	0	52	0.0	-65.77	425.77	2.81	-62.96
CC(CC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438557	1	52	0.0	-69.28	419.59	2.21	-67.07
CC(CC1CN(C(=O)C2CCCC[N@@H+]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438600	0	55	0.0	-65.97	430.85	2.91	-63.06
CC(CC1CN(C(=O)C2CCCC[N@H+]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438600	1	55	0.0	-64.32	429.64	2.85	-61.47
CC(CC1CN(C(=O)C2CC[N@H+](C)C2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438629	0	55	0.0	-66.40	436.53	2.99	-63.41
CC(CC1CN(C(=O)C2CC[N@@H+](C)C2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438629	1	55	0.0	-71.67	439.99	2.81	-68.86
CC(CC1CN(C(=O)[C@H](C)[NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438670	0	51	0.0	-64.32	415.85	2.17	-62.15
CC(CC1CN(C(=O)CC[NH+]2CCCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438688	0	55	0.0	-67.69	447.64	3.40	-64.29
CC(CC1CN(C(=O)C[N@H+](C)CCO)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438693	1	52	0.0	-66.26	426.53	-0.76	-67.02
CC(CC1CN(C(=O)C[N@@H+](C)CCO)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438693	1	52	0.0	-66.52	426.32	-0.75	-67.27
CC(CC1CN(C(=O)C[NH+]2CC(C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438736	1	52	0.0	-66.15	429.74	2.89	-63.26
CC[N@H+](C)CC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025438768	0	51	0.0	-65.98	416.18	2.48	-63.50
CC[N@@H+](C)CC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025438768	1	51	0.0	-67.84	418.14	2.38	-65.46
CC(CC1CN(C(=O)CCC(C)[NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438821	0	57	0.0	-67.10	451.81	3.56	-63.54
CC[N@H+](CC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025438826	0	55	0.0	-63.01	447.04	3.84	-59.17
CC[N@@H+](CC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025438826	1	55	0.0	-63.30	444.52	3.83	-59.47
CC(CC1CN(C(=O)C23CC(C2)C[N@@H+]3C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438839	0	53	0.0	-69.45	425.89	2.83	-66.62
CC(CC1CN(C(=O)C23CC(C2)C[N@H+]3C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438839	1	53	0.0	-68.70	427.11	2.97	-65.73
CC(CC1CN(C(=O)C(C)C[NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438848	0	54	0.0	-70.07	440.87	2.86	-67.21
CC(CC1CN(C(=O)C2([NH+](C)C)CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438854	0	52	0.0	-73.18	425.90	2.71	-70.47
CC(CC1CN(C(=O)[C@@H](C)[NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438864	0	51	0.0	-68.67	418.68	2.11	-66.56
CC[N@@H+]1CCC1C(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025438867	0	52	0.0	-65.64	430.07	2.78	-62.86
CC[N@H+]1CCC1C(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025438867	1	52	0.0	-66.00	430.89	2.69	-63.31
CC(CC1CN(C(=O)C2=C[NH+]=CC=C2N)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438878	0	48	0.0	-68.73	408.01	-0.25	-68.98
CCCC(C(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025438882	0	57	0.0	-66.59	454.55	3.63	-62.96
CC(CC1CN(C(=O)C(C)(C)[NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438885	0	54	0.0	-69.23	421.08	2.77	-66.46
CC(CC1CN(C(=O)C(C)CC[NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438894	0	57	0.0	-76.58	461.55	3.47	-73.11
CC(CC1CN(C(=O)C[NH+]2CC3CC3C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438953	0	53	0.0	-65.63	434.17	3.68	-61.95
CC(CC1CN(C(=O)C2CCCC[N@@H+]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438961	0	55	0.0	-65.97	430.85	2.91	-63.06
CC(CC1CN(C(=O)C2CCCC[N@H+]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438961	1	55	0.0	-64.32	429.64	2.85	-61.47
CC(CC1CN(C(=O)C=C2CC[N@H+](C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438986	0	53	0.0	-71.45	437.05	3.34	-68.11
CC(CC1CN(C(=O)C=C2CC[N@@H+](C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438986	1	53	0.0	-70.97	437.07	3.33	-67.64
CC(CC1CN(C(=O)CN=[N+]=[N-])C1)NC(=O)CSC1=NC(=O)NN1	REAL300025438993	0	42	0.0	-25.93	377.46	-2.60	-28.53
CCC1C[NH+](CC(=O)N2CC(CC(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025439009	0	55	0.0	-66.87	451.11	3.66	-63.21
CC(CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439014	0	52	0.0	-65.86	419.37	2.29	-63.57
CC(CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439014	1	52	0.0	-66.57	423.23	2.64	-63.93
CC(CC1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439054	0	55	0.0	-66.54	448.94	3.39	-63.15
CC(CC1CN(C(=O)C[NH+]2CCCCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439095	0	55	0.0	-67.31	442.15	3.57	-63.74
CC(CC1CN(C(=O)C2CCC[N@H+](C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439096	0	55	0.0	-67.12	440.44	3.20	-63.92
CC(CC1CN(C(=O)C2CCC[N@@H+](C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439096	1	55	0.0	-65.07	436.10	3.40	-61.67
CC(CC1CN(C(=O)C[N+]2=CN(C)C=C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439097	0	50	0.0	-66.14	431.72	5.32	-60.82
CC(CC1CN(C(=O)C[N@H+](C)C2CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439107	0	52	0.0	-63.92	427.87	3.22	-60.70
CC(CC1CN(C(=O)C[N@@H+](C)C2CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439107	1	52	0.0	-66.20	429.83	3.13	-63.07
CC(CC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025439115	0	57	0.0	-72.27	457.67	3.81	-68.46
CC(CC1CN(C(=O)CC2C[NH+](C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439164	0	52	0.0	-69.90	431.78	2.63	-67.27
CC(CC1CN(C(=O)C[NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439171	0	48	0.0	-68.52	400.49	1.80	-66.72
CC(CC1CN(C(=O)[C@H](C)[NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439179	0	51	0.0	-64.32	415.85	2.17	-62.15
CC(CC1CN(C(=O)C(C)[NH+]2CC(C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439193	0	55	0.0	-64.08	445.19	3.25	-60.83
CC(CC1CN(C(=O)C[N@@H+]2CCC2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439194	0	52	0.0	-67.44	431.73	2.85	-64.59
CC(CC1CN(C(=O)C[N@H+]2CCC2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439194	1	52	0.0	-67.44	431.72	2.85	-64.59
CC(CC1CN(C(=O)C=CC[NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439196	0	52	0.0	-72.53	436.40	2.90	-69.63
CC(CC1CN(C(=O)C[NH+]2CC(C)(C)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439200	1	55	0.0	-68.00	450.98	3.42	-64.58
CC[NH+](CC)CC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025439213	0	54	0.0	-64.62	430.05	2.89	-61.73
CC(CC1CN(C(=O)C[NH+]2CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439218	1	49	0.0	-66.92	409.50	2.20	-64.72
CC[NH+](CC)CCC(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025439236	0	57	0.0	-66.95	452.07	3.47	-63.48
CC(CC1CN(C(=O)C(C)[NH+]2CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439264	0	52	0.0	-67.85	420.79	2.44	-65.41
CC(CC1CN(C(=O)C(C)(C)C[NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439268	0	57	0.0	-66.73	439.62	3.04	-63.69
CC(CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439288	0	55	0.0	-64.96	440.94	3.24	-61.72
CC(CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439288	1	55	0.0	-65.95	430.85	2.92	-63.03
C=CCC(C(=O)N1CC(CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025439307	0	55	0.0	-68.38	446.00	3.34	-65.04
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)CSC(N)=[NH2+]	REAL300025439330	0	46	0.0	-71.38	406.37	-1.22	-72.60
CCC1C[NH+](CC(=O)NC(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025439385	1	55	0.0	-73.55	453.17	3.69	-69.86
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025439389	0	52	0.0	-70.88	420.41	2.39	-68.49
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300025439389	1	52	0.0	-67.59	424.94	2.63	-64.96
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C[NH+]1CCCCC1	REAL300025439396	0	55	0.0	-72.56	442.60	3.72	-68.84
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1CC[N@H+](C)C1C	REAL300025439400	0	55	0.0	-73.58	447.06	3.22	-70.36
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1CC[N@@H+](C)C1C	REAL300025439400	1	55	0.0	-68.51	438.61	2.94	-65.57
C[NH+](C)CC(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025439547	0	52	0.0	-66.28	398.65	3.59	-62.69
C[C@@H](C(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025439552	0	55	0.0	-62.64	414.09	3.92	-58.72
[N-]=[N+]=NCC(=O)N1CCC2C(CCCN2C(=O)CSC2=NC(=O)NN2)C1	REAL300025439555	0	46	0.0	-22.00	375.62	-0.82	-22.82
C[C@@H](C(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025439565	0	55	0.0	-62.64	414.09	3.92	-58.72
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2CN(C(=O)C[NH+]3CCC3)CCC21	REAL300025439573	1	53	0.0	-65.61	408.97	4.05	-61.56
C[C@H](C(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025439578	0	55	0.0	-65.64	415.05	3.93	-61.71
CC[N@H+](C)CC(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025439590	0	55	0.0	-65.37	416.34	4.24	-61.13
CC[N@@H+](C)CC(=O)N1CCC2C(CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025439590	1	55	0.0	-65.33	416.38	4.26	-61.07
C[C@@H](C(=O)N1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21)[NH+](C)C	REAL300025439728	0	55	0.0	-69.77	412.87	3.89	-65.88
CC[N@H+](C)CC(=O)N1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21	REAL300025439746	0	55	0.0	-72.38	416.35	4.24	-68.14
CC[N@@H+](C)CC(=O)N1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21	REAL300025439746	1	55	0.0	-72.27	416.38	4.25	-68.02
C[C@H](C(=O)N1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21)[NH+](C)C	REAL300025439755	0	55	0.0	-71.30	413.85	3.90	-67.40
[N-]=[N+]=NCC(=O)N1CCCC2CN(C(=O)CSC3=NC(=O)NN3)CCC21	REAL300025439777	0	46	0.0	-22.43	375.68	-0.81	-23.24
C[NH+](C)CC(=O)N1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21	REAL300025439802	0	52	0.0	-72.89	398.72	3.59	-69.30
C[C@@H](C(=O)N1CCCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC21)[NH+](C)C	REAL300025439805	0	55	0.0	-69.77	412.87	3.89	-65.88
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C(CCCN2C(=O)C[NH+]2CCC2)C1	REAL300025439811	1	53	0.0	-72.66	408.95	4.08	-68.58
C=CCC1(NC(=O)C[NH+](C)C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025440014	0	52	0.0	-62.33	411.35	3.20	-59.13
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025440019	0	55	0.0	-57.16	425.86	3.42	-53.74
C=CCC1(NC(=O)CN=[N+]=[N-])CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025440022	0	46	0.0	-24.26	385.40	-1.47	-25.73
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025440029	0	55	0.0	-57.16	425.86	3.42	-53.74
C=CCC1(NC(=O)C[NH+]2CCC2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025440036	1	53	0.0	-60.82	420.36	3.53	-57.29
C=CCC1(NC(=O)[C@@H](C)[NH+](C)C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025440041	0	55	0.0	-59.84	426.07	3.47	-56.37
C=CCC1(NC(=O)C[N@@H+](C)CC)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025440050	0	55	0.0	-60.11	426.11	3.59	-56.52
C=CCC1(NC(=O)C[N@H+](C)CC)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025440050	1	55	0.0	-61.27	429.07	3.86	-57.41
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025440188	0	55	0.0	-68.72	424.36	3.21	-65.51
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C[N@@H+](C)CC)C1	REAL300025440207	0	55	0.0	-70.79	428.34	3.74	-67.05
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C[N@H+](C)CC)C1	REAL300025440207	1	55	0.0	-69.85	426.41	3.52	-66.33
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300025440220	0	55	0.0	-65.90	424.89	3.21	-62.69
C=CCC1(NC(=O)CSC2=NC(=O)NN2)CCCN(C(=O)CN=[N+]=[N-])C1	REAL300025440245	0	46	0.0	-21.55	387.56	-1.31	-22.86
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C[NH+](C)C)C1	REAL300025440276	0	52	0.0	-71.42	410.26	3.03	-68.39
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025440279	0	55	0.0	-68.72	424.36	3.21	-65.51
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C[NH+]2CCC2)C1	REAL300025440286	1	53	0.0	-70.77	418.73	3.30	-67.47
C[NH+](C)CC(=O)NC12CC(C)(C1)OC21CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025440354	0	51	0.0	-60.08	416.69	0.91	-59.17
CC12CC(NC(=O)CN=[N+]=[N-])(C1)C1(CN(C(=O)CSC3=NC(=O)NN3)C1)O2	REAL300025440359	1	45	0.0	-20.80	393.66	-3.50	-24.30
CC12CC(NC(=O)CSC3=NC(=O)NN3)(C1)C1(CN(C(=O)CN=[N+]=[N-])C1)O2	REAL300025440421	0	45	0.0	-25.56	395.24	-4.26	-29.82
C[NH+](C)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025440428	0	51	0.0	-70.72	418.27	0.14	-70.58
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CCC[N@@H+]1C	REAL300025440596	0	52	0.0	-63.29	406.42	3.64	-59.65
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CCC[N@H+]1C	REAL300025440596	1	52	0.0	-63.18	405.45	3.53	-59.65
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1C[N@H+](C)CCO1	REAL300025440620	1	53	0.0	-78.41	409.43	2.83	-75.58
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1C[N@@H+](C)CCO1	REAL300025440620	1	53	0.0	-62.30	418.69	2.31	-59.99
CC1=[NH+]C=CN1CC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025440759	1	50	0.0	-65.35	409.30	4.19	-61.16
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025440777	0	55	0.0	-74.68	413.13	3.43	-71.25
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025440777	1	55	0.0	-73.49	419.81	3.69	-69.80
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1([NH+](C)C)CCC1	REAL300025440797	0	55	0.0	-61.66	403.53	4.30	-57.36
CC(C)[C@@H](C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025440799	0	57	0.0	-68.47	434.87	4.47	-64.00
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[N@H+](C)C1CCC1	REAL300025440808	0	55	0.0	-65.54	434.63	4.08	-61.46
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[N@@H+](C)C1CCC1	REAL300025440808	1	55	0.0	-65.39	426.09	4.56	-60.83
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CC[NH+](C)CC1	REAL300025440832	0	55	0.0	-75.31	424.27	4.22	-71.09
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CCCC[N@@H+]1C	REAL300025440838	0	55	0.0	-71.55	417.40	3.12	-68.43
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CCCC[N@H+]1C	REAL300025440838	1	55	0.0	-70.01	416.97	3.22	-66.79
CC1=C[NH+]=CN1CC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025440855	1	50	0.0	-65.02	409.63	4.92	-60.10
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)CC1CC[N@H+](C)C1	REAL300025440865	0	55	0.0	-78.01	430.82	3.37	-74.64
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)CC1CC[N@@H+](C)C1	REAL300025440865	1	55	0.0	-71.00	434.91	3.58	-67.42
CCC(C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025440868	0	54	0.0	-63.41	413.54	3.80	-59.61
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)CCCC[NH+](C)C	REAL300025440882	0	57	0.0	-71.90	445.23	4.71	-67.19
CC(C)C(C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025440885	0	57	0.0	-68.72	429.41	4.73	-63.99
CCC[N@H+](C)CCC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025440886	0	57	0.0	-69.92	441.46	4.52	-65.40
CCC[N@@H+](C)CCC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025440886	1	57	0.0	-70.20	441.46	4.52	-65.68
CCC[N@H+](C)CC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025440887	0	54	0.0	-66.94	419.10	3.98	-62.96
CCC[N@@H+](C)CC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025440887	1	54	0.0	-67.78	427.70	3.40	-64.38
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@H]1CCC[N@@H+]1C	REAL300025440902	0	52	0.0	-70.02	410.58	2.84	-67.18
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@H]1CCC[N@H+]1C	REAL300025440902	1	52	0.0	-63.24	408.95	2.54	-60.70
CC[NH+](CC)CC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025440914	0	54	0.0	-64.79	411.11	3.65	-61.14
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1(C[NH+](C)C)CC1	REAL300025440968	0	55	0.0	-60.21	427.00	4.00	-56.21
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CC[NH+](C)CC1	REAL300025440990	0	55	0.0	-75.31	424.27	4.22	-71.09
CC(C)[C@H](C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025441005	0	57	0.0	-62.80	434.23	3.60	-59.20
CC[N@H+](C)CCC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025441032	0	54	0.0	-69.20	419.96	3.78	-65.42
CC[N@@H+](C)CCC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025441032	1	54	0.0	-69.56	419.96	3.77	-65.79
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[N@@H+]1CCCC1C	REAL300025441042	0	55	0.0	-63.27	425.31	4.34	-58.93
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[N@H+]1CCCC1C	REAL300025441042	1	55	0.0	-69.14	422.99	3.16	-65.98
CC1CC[N@H+](CC(=O)NCC2C(C)CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025441043	0	55	0.0	-67.11	434.30	3.76	-63.35
CC1CC[N@@H+](CC(=O)NCC2C(C)CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025441043	1	55	0.0	-72.17	429.66	3.52	-68.65
CC[C@@H](C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025441045	0	54	0.0	-67.34	419.02	2.99	-64.35
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[NH+](C)C	REAL300025441081	0	48	0.0	-67.35	379.87	2.58	-64.77
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[N+]1=CN(C)C=C1	REAL300025441082	0	50	0.0	-66.58	411.10	6.09	-60.49
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CCC[N@H+](C)C1	REAL300025441085	0	55	0.0	-67.32	423.08	3.58	-63.74
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CCC[N@@H+](C)C1	REAL300025441085	1	55	0.0	-75.00	429.25	3.44	-71.56
CC(C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025441092	1	52	0.0	-64.47	418.64	3.04	-61.43
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C(C)(C)C[NH+](C)C	REAL300025441095	0	57	0.0	-68.49	426.31	4.20	-64.29
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[N@H+](C)C1CC1	REAL300025441102	0	52	0.0	-64.15	409.27	3.99	-60.16
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[N@@H+](C)C1CC1	REAL300025441102	1	52	0.0	-64.37	409.13	3.98	-60.39
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)CC1C[NH+](C)C1	REAL300025441113	0	52	0.0	-67.52	411.31	3.39	-64.13
C[C@@H](C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025441125	0	51	0.0	-63.81	397.30	3.04	-60.77
CC1CCN(C(=O)CSC2=NC(=O)NN2)C1CNC(=O)CN=[N+]=[N-]	REAL300025441132	0	42	0.0	-24.85	365.44	-2.40	-27.25
C[C@@H](C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025441163	0	51	0.0	-63.81	397.30	3.04	-60.77
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025441166	0	55	0.0	-61.57	431.11	3.59	-57.98
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@H]1CCCC[N@H+]1C	REAL300025441166	1	55	0.0	-64.14	421.27	3.47	-60.67
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[NH+]1CCC1	REAL300025441193	1	49	0.0	-67.67	389.91	2.99	-64.68
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C=C1CC[N@H+](C)C1	REAL300025441202	0	53	0.0	-78.07	423.15	3.40	-74.67
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C=C1CC[N@@H+](C)C1	REAL300025441202	1	53	0.0	-77.86	422.19	3.42	-74.44
C[C@H](C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025441220	0	51	0.0	-65.20	406.44	2.35	-62.85
CC1C[NH+](CC(=O)NCC2C(C)CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025441236	1	52	0.0	-69.08	418.53	3.16	-65.92
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[N@H+](C)CCO	REAL300025441249	1	52	0.0	-67.71	416.56	-0.57	-68.28
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[N@@H+](C)CCO	REAL300025441249	1	52	0.0	-67.73	407.81	0.01	-67.72
CC(CC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025441261	0	57	0.0	-71.59	437.06	4.58	-67.01
CC[N@H+](C)CC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025441263	0	51	0.0	-66.62	397.60	3.24	-63.38
CC[N@@H+](C)CC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025441263	1	51	0.0	-66.51	397.60	3.24	-63.27
CC[N@H+](CC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025441273	0	55	0.0	-63.67	428.46	4.61	-59.06
CC[N@@H+](CC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025441273	1	55	0.0	-64.37	425.82	4.56	-59.81
CC[NH+](CC)CCC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025441279	0	57	0.0	-68.23	437.51	4.48	-63.75
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C=CC[NH+](C)C	REAL300025441294	0	52	0.0	-71.26	415.83	3.78	-67.48
CC(CCC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025441311	0	57	0.0	-73.81	433.29	4.30	-69.51
CC[N@@H+]1CCC1C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025441315	1	52	0.0	-67.23	402.56	3.38	-63.85
CC[N@H+]1CCC1C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025441315	1	52	0.0	-72.29	415.90	2.79	-69.50
C=CCC(C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025441336	0	55	0.0	-61.16	422.99	4.07	-57.09
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[NH+]1CC2CC2C1	REAL300025441344	0	53	0.0	-66.77	415.20	4.46	-62.31
CCCC(C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025441349	0	57	0.0	-69.21	434.98	4.49	-64.72
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C(C)(C)[NH+](C)C	REAL300025441351	0	54	0.0	-72.25	403.89	3.45	-68.80
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CCCC[N@@H+]1C	REAL300025441361	0	55	0.0	-71.55	417.40	3.12	-68.43
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CCCC[N@H+]1C	REAL300025441361	1	55	0.0	-70.01	416.97	3.22	-66.79
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1([NH+](C)C)CC1	REAL300025441397	0	52	0.0	-56.00	400.15	3.93	-52.07
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)CC[NH+]1CCCC1	REAL300025441398	0	55	0.0	-68.80	428.19	4.30	-64.50
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C12CC(C1)C[N@@H+]2C	REAL300025441408	0	53	0.0	-54.49	400.80	3.59	-50.90
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C12CC(C1)C[N@H+]2C	REAL300025441408	1	53	0.0	-74.88	420.46	3.21	-71.67
CC(C[NH+](C)C)C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025441443	0	54	0.0	-68.74	417.90	3.81	-64.93
CC(C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025441463	1	55	0.0	-65.16	428.90	4.27	-60.89
CC1CC[N@@H+]1CC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025441464	1	52	0.0	-66.17	414.25	2.92	-63.25
CC1CC[N@H+]1CC(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025441464	1	52	0.0	-67.76	419.77	3.08	-64.68
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025441495	0	55	0.0	-73.47	438.48	3.78	-69.69
CC(CC[NH+](C)C)C(=O)NCC1C(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025441496	0	57	0.0	-69.86	439.54	4.44	-65.42
CC1CCN(C(=O)C2CCC[N@@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441665	0	52	0.0	-69.12	406.48	2.68	-66.44
CC1CCN(C(=O)C2CCC[N@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441665	1	52	0.0	-66.62	411.31	2.84	-63.78
CC1CCN(C(=O)CC2CC[N@H+](C)C2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441839	0	55	0.0	-70.32	434.61	3.58	-66.74
CC1CCN(C(=O)CC2CC[N@@H+](C)C2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441839	1	55	0.0	-69.96	435.73	3.60	-66.36
CCC(C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025441842	0	54	0.0	-64.21	414.64	2.82	-61.39
CC1CCN(C(=O)CCCC[NH+](C)C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441851	0	57	0.0	-72.34	453.83	4.10	-68.24
CCC[N@H+](C)CCC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441854	0	57	0.0	-71.85	450.07	3.92	-67.93
CCC[N@@H+](C)CCC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441854	1	57	0.0	-71.63	441.46	4.51	-67.12
CCC[N@H+](C)CC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441855	0	54	0.0	-69.40	418.43	3.90	-65.50
CCC[N@@H+](C)CC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441855	1	54	0.0	-69.95	418.74	3.93	-66.02
CC1CCN(C(=O)C2(C[NH+](C)C)CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441885	0	55	0.0	-73.62	434.74	3.97	-69.65
CC[N@H+](C)CCC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441890	0	54	0.0	-71.04	428.52	3.20	-67.84
CC[N@@H+](C)CCC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441890	1	54	0.0	-70.86	419.96	3.74	-67.12
CC1CCN(C(=O)C2CC[NH+](C)CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441905	0	55	0.0	-73.60	428.30	3.30	-70.30
CC1CCN(C(=O)C[N@@H+]2CCCC2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441943	0	55	0.0	-65.07	427.64	3.31	-61.76
CC1CCN(C(=O)C[N@H+]2CCCC2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441943	1	55	0.0	-66.10	418.42	3.87	-62.23
CC1CC[N@H+](CC(=O)N2CCC(C)C2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025441958	0	55	0.0	-70.87	430.51	3.37	-67.50
CC1CC[N@@H+](CC(=O)N2CCC(C)C2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025441958	1	55	0.0	-68.38	433.88	3.70	-64.68
CC[C@@H](C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025441960	0	54	0.0	-64.06	406.35	3.34	-60.72
CC1=[NH+]C=CN1CC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441994	1	50	0.0	-65.25	408.95	4.12	-61.13
CC1=C[NH+]=CN1CC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442009	1	50	0.0	-69.80	418.52	4.43	-65.37
CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442010	0	55	0.0	-67.92	420.28	3.78	-64.14
CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442010	1	55	0.0	-73.69	429.81	3.33	-70.36
CC1CCN(C(=O)C[N@H+](C)C2CCC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442033	0	55	0.0	-68.23	425.75	4.51	-63.72
CC1CCN(C(=O)C[N@@H+](C)C2CCC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442033	1	55	0.0	-67.49	425.28	4.46	-63.03
CC1CCN(C(=O)C2CC[NH+](C)CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442039	0	55	0.0	-73.60	428.30	3.30	-70.30
CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442049	0	52	0.0	-65.49	409.53	2.81	-62.68
CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442049	1	52	0.0	-72.57	403.20	2.24	-70.33
CC1CCN(C(=O)C2CC[N@H+](C)C2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442109	0	55	0.0	-66.29	434.13	3.50	-62.79
CC1CCN(C(=O)C2CC[N@@H+](C)C2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442109	1	55	0.0	-70.30	429.93	3.36	-66.94
C[C@@H](C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025442143	0	51	0.0	-63.00	403.29	2.40	-60.60
CC1CCN(C(=O)CC[NH+]2CCCC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442161	0	55	0.0	-70.69	428.20	4.26	-66.43
CC1CCN(C(=O)C[N@H+](C)CCO)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442166	1	52	0.0	-69.26	407.28	-0.09	-69.35
CC1CCN(C(=O)C[N@@H+](C)CCO)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442166	1	52	0.0	-69.97	407.31	-0.08	-70.05
CC1C[NH+](CC(=O)N2CCC(C)C2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025442205	1	52	0.0	-70.62	418.75	3.25	-67.37
CC[N@H+](C)CC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442230	0	51	0.0	-69.46	397.25	3.18	-66.28
CC[N@@H+](C)CC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442230	1	51	0.0	-68.83	396.93	3.15	-65.68
CC(CCC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025442275	0	57	0.0	-70.11	436.26	4.28	-65.83
CC[N@H+](CC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025442279	0	55	0.0	-65.30	428.46	4.53	-60.77
CC[N@@H+](CC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025442279	1	55	0.0	-67.39	421.70	4.30	-63.09
CC(C[NH+](C)C)C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442298	0	54	0.0	-62.30	413.40	3.62	-58.68
C[C@H](C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025442310	0	51	0.0	-67.52	405.53	2.38	-65.14
CC[N@@H+]1CCC1C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442313	1	52	0.0	-68.01	419.78	2.87	-65.14
CC[N@H+]1CCC1C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442313	1	52	0.0	-68.56	419.52	3.03	-65.53
CC1CCN(C(=O)C2=C[NH+]=CC=C2N)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442323	0	48	0.0	-68.82	394.80	0.08	-68.74
CCCC(C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025442327	0	57	0.0	-64.66	436.15	3.60	-61.06
CC(CC[NH+](C)C)C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442337	0	57	0.0	-69.92	435.19	4.11	-65.81
CC1CCN(C(=O)C[NH+]2CC3CC3C2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442393	0	53	0.0	-69.71	424.10	3.96	-65.75
CC1CCN(C(=O)C2CCCC[N@@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442400	0	55	0.0	-61.80	427.68	3.79	-58.01
CC1CCN(C(=O)C2CCCC[N@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442400	1	55	0.0	-60.79	426.96	3.64	-57.15
CC1CCN(C(=O)C=C2CC[N@H+](C)C2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442419	0	53	0.0	-76.60	421.00	3.30	-73.30
CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442419	1	53	0.0	-76.58	420.99	3.28	-73.30
CC1CCN(C(=O)CN=[N+]=[N-])C1CNC(=O)CSC1=NC(=O)NN1	REAL300025442424	0	42	0.0	-24.74	365.43	-2.46	-27.20
CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442437	0	52	0.0	-65.42	408.18	2.56	-62.86
CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442437	1	52	0.0	-68.44	408.36	2.56	-65.88
CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442473	0	55	0.0	-75.23	433.08	3.46	-71.77
CC1CCN(C(=O)C[NH+]2CCCCC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442507	0	55	0.0	-68.48	430.14	3.82	-64.66
CC1CCN(C(=O)C2CCC[N@H+](C)C2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442508	0	55	0.0	-67.04	429.98	3.67	-63.37
CC1CCN(C(=O)C2CCC[N@@H+](C)C2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442508	1	55	0.0	-58.57	416.15	3.59	-54.98
CC1CCN(C(=O)C[N+]2=CN(C)C=C2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442509	0	50	0.0	-67.51	420.46	5.57	-61.94
CC1CCN(C(=O)C[N@H+](C)C2CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442518	0	52	0.0	-66.73	417.83	3.35	-63.38
CC1CCN(C(=O)C[N@@H+](C)C2CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442518	1	52	0.0	-65.57	417.74	3.34	-62.23
CC(CC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025442526	0	57	0.0	-76.30	446.13	4.07	-72.23
CC1CCN(C(=O)CC2C[NH+](C)C2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442566	0	52	0.0	-68.87	410.97	3.28	-65.59
CC1CCN(C(=O)C[NH+](C)C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442573	0	48	0.0	-69.22	388.47	1.94	-67.28
C[C@@H](C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025442581	0	51	0.0	-63.00	403.29	2.40	-60.60
CC(C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025442591	0	55	0.0	-67.16	432.61	3.47	-63.69
CC1CC[N@@H+]1CC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442592	1	52	0.0	-66.76	414.21	2.76	-64.00
CC1CC[N@H+]1CC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442592	1	52	0.0	-66.87	405.78	3.32	-63.55
CC1CCN(C(=O)C=CC[NH+](C)C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442593	0	52	0.0	-74.45	414.64	3.71	-70.74
CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442596	1	55	0.0	-68.46	439.46	3.56	-64.90
CC[NH+](CC)CC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442609	0	54	0.0	-66.77	423.67	3.26	-63.51
CC1CCN(C(=O)C[NH+]2CCC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442614	1	49	0.0	-70.07	398.96	2.56	-67.51
CC[NH+](CC)CCC(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442628	0	57	0.0	-70.11	433.52	4.16	-65.95
CC(C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025442649	1	52	0.0	-66.92	411.44	2.64	-64.28
CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442667	0	55	0.0	-64.82	419.72	4.08	-60.74
CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442667	1	55	0.0	-70.82	412.59	2.82	-68.00
C=CCC(C(=O)N1CCC(C)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025442683	0	55	0.0	-63.92	428.05	3.35	-60.57
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)CSC(N)=[NH2+]	REAL300025442703	0	46	0.0	-69.43	387.79	-0.48	-69.91
CCC1C[NH+](CC(=O)NCC2C(C)CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025442758	1	55	0.0	-69.03	441.09	3.86	-65.17
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@@H]1CCC[N@@H+]1C	REAL300025442762	0	52	0.0	-74.06	404.94	2.23	-71.83
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)[C@@H]1CCC[N@H+]1C	REAL300025442762	1	52	0.0	-65.46	415.19	3.16	-62.30
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C[NH+]1CCCCC1	REAL300025442769	0	55	0.0	-66.30	421.59	4.45	-61.85
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CC[N@H+](C)C1C	REAL300025442773	0	55	0.0	-75.62	422.50	2.93	-72.69
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1CC[N@@H+](C)C1C	REAL300025442773	1	55	0.0	-65.32	417.75	3.75	-61.57
CCC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442825	1	52	0.0	-80.00	398.72	3.26	-76.74
CC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442826	1	49	0.0	-79.49	380.74	2.67	-76.82
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](C2CCN(C(=O)C3CC3)CC2)CC1	REAL300025442827	1	53	0.0	-79.21	412.02	4.25	-74.96
COCC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442828	1	53	0.0	-83.84	411.44	2.64	-81.20
CCCC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442829	1	55	0.0	-79.83	420.22	4.02	-75.81
CC(C)C(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442830	1	55	0.0	-80.22	417.94	3.75	-76.47
NC(=O)C(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442831	1	50	0.0	-76.11	394.83	-1.30	-77.41
C=CCC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442832	1	53	0.0	-80.06	414.91	4.04	-76.02
O=C(CO)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442833	1	50	0.0	-85.19	389.19	0.36	-84.83
CC(O)C(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442834	1	53	0.0	-84.70	409.30	1.13	-83.57
C[C@@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442835	1	53	0.0	-81.10	408.39	1.12	-79.98
C[C@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442836	1	53	0.0	-81.32	408.38	1.13	-80.19
COCC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442837	1	53	0.0	-84.28	414.75	2.90	-81.38
CCCC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442838	0	55	0.0	-80.37	423.53	4.28	-76.09
CC(C)C(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442839	1	55	0.0	-80.90	421.43	4.03	-76.87
CCC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442840	0	52	0.0	-80.40	402.03	3.52	-76.88
CC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442841	0	49	0.0	-80.13	380.85	2.67	-77.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC([NH+]2CCN(C(=O)C3CC3)CC2)CC1	REAL300025442842	1	53	0.0	-79.99	412.02	4.23	-75.76
NC(=O)C(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442843	1	50	0.0	-76.50	394.76	-1.24	-77.74
O=C(CO)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442844	1	50	0.0	-85.66	392.50	0.62	-85.04
CC(O)C(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442845	1	53	0.0	-82.36	408.41	1.13	-81.23
CC(=O)C(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442846	1	51	0.0	-75.87	401.92	2.57	-73.30
CC=CC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442847	0	53	0.0	-79.69	414.57	4.10	-75.59
C[C@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442848	1	53	0.0	-85.69	409.71	1.15	-84.54
C=CCC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442849	0	53	0.0	-81.21	414.94	4.06	-77.15
N#CCC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442850	1	50	0.0	-94.34	401.50	3.19	-91.15
C[C@@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442851	1	53	0.0	-82.48	408.33	1.11	-81.37
C=CC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442852	0	50	0.0	-79.81	392.77	3.21	-76.60
CC=CC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025442853	1	53	0.0	-79.14	414.55	4.08	-75.06
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@@H+]1C	REAL300025443008	0	49	0.0	-70.28	402.10	2.96	-67.32
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@H+]1C	REAL300025443008	1	49	0.0	-68.75	398.40	2.97	-65.78
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1C[N@H+](C)CCO1	REAL300025443032	1	50	0.0	-83.50	410.33	2.28	-81.22
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1C[N@@H+](C)CCO1	REAL300025443032	1	50	0.0	-85.90	408.68	2.33	-83.57
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443176	0	55	0.0	-72.11	428.09	4.42	-67.69
CC(C)[N@H+]1CCCC1C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443176	1	55	0.0	-67.52	436.19	3.99	-63.53
CC1=[NH+]C=CN1CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443199	1	47	0.0	-70.70	406.63	3.71	-66.99
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1C[NH+]2CCC1CC2	REAL300025443219	0	53	0.0	-79.85	412.96	3.62	-76.23
C[C@@H]1[C@H](C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025443247	0	52	0.0	-74.27	411.52	3.28	-70.99
C[C@@H]1[C@H](C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025443247	1	52	0.0	-73.29	416.67	3.26	-70.03
CC[C@@H]1[C@@H](C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025443249	0	55	0.0	-71.97	433.73	3.75	-68.22
CC[C@@H]1[C@@H](C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025443249	1	55	0.0	-71.67	434.35	3.95	-67.72
CC[N@@H+]1CCOC(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025443254	1	53	0.0	-78.41	419.51	2.79	-75.62
CC[N@H+]1CCOC(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025443254	1	53	0.0	-77.20	418.67	2.77	-74.43
CC1CCC(C)[NH+]1CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443299	0	55	0.0	-69.95	434.39	4.01	-65.94
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CCC[NH+]1CCCC1	REAL300025443301	0	55	0.0	-71.72	445.47	4.66	-67.06
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC[NH+]1CCCCC1	REAL300025443304	0	55	0.0	-72.43	439.37	4.56	-67.87
CC[N@@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443307	0	55	0.0	-67.13	433.93	4.31	-62.82
CC[N@H+]1CCCCC1C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443307	1	55	0.0	-68.51	435.47	4.22	-64.29
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1([NH+](C)C)CCC1	REAL300025443317	0	52	0.0	-73.38	405.67	3.02	-70.36
CC(C)[C@@H](C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025443323	0	54	0.0	-69.61	417.58	3.84	-65.77
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+](C)C1CCC1	REAL300025443341	0	52	0.0	-71.67	423.32	4.08	-67.59
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+](C)C1CCC1	REAL300025443341	1	52	0.0	-70.24	421.84	4.05	-66.19
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443395	1	51	0.0	-69.16	420.98	3.81	-65.35
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443395	1	51	0.0	-70.55	427.79	4.13	-66.42
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CCC1CCC[N@@H+]1C	REAL300025443400	0	55	0.0	-73.57	439.05	4.18	-69.39
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CCC1CCC[N@H+]1C	REAL300025443400	1	55	0.0	-77.29	444.55	4.52	-72.77
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CC[NH+](C)CC1	REAL300025443416	0	52	0.0	-76.77	415.27	3.50	-73.27
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCCC[N@@H+]1C	REAL300025443443	0	52	0.0	-71.28	417.53	3.61	-67.67
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCCC[N@H+]1C	REAL300025443443	1	52	0.0	-67.75	414.36	3.58	-64.17
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC[NH+]1CCOCC1	REAL300025443496	1	53	0.0	-78.01	432.43	2.04	-75.97
CC1=C[NH+]=CN1CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443508	1	47	0.0	-69.50	404.35	4.38	-65.12
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C12CCC[NH+]1CCC2	REAL300025443524	0	53	0.0	-66.91	414.05	3.48	-63.43
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1CC[N@H+](C)C1	REAL300025443529	0	52	0.0	-73.40	421.48	3.71	-69.69
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1CC[N@@H+](C)C1	REAL300025443529	1	52	0.0	-75.57	423.72	3.66	-71.91
CCC(C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025443535	0	51	0.0	-71.40	404.21	2.95	-68.45
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CCCC[NH+](C)C	REAL300025443582	0	54	0.0	-76.03	441.84	4.25	-71.78
CC(C)C(C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025443593	0	54	0.0	-70.30	417.45	3.49	-66.81
CCC[N@H+](C)CCC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443594	0	54	0.0	-73.82	437.23	4.09	-69.73
CCC[N@@H+](C)CCC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443594	1	54	0.0	-75.96	438.77	4.01	-71.95
CCC[N@H+](C)CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443597	0	51	0.0	-71.95	414.90	3.50	-68.45
CCC[N@@H+](C)CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443597	1	51	0.0	-71.94	414.87	3.49	-68.45
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C12CC[N@H+](C1)CCC2	REAL300025443610	0	53	0.0	-81.58	408.75	2.87	-78.71
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300025443610	1	53	0.0	-79.29	407.69	2.85	-76.44
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300025443632	0	49	0.0	-68.78	400.25	2.95	-65.83
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCC[N@H+]1C	REAL300025443632	1	49	0.0	-71.75	395.30	2.64	-69.11
CC[NH+](CC)CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443659	0	51	0.0	-72.02	408.07	3.14	-68.88
CC1CC[NH+](CC(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025443712	0	55	0.0	-74.03	440.23	4.50	-69.53
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1(C[NH+](C)C)CC1	REAL300025443730	0	52	0.0	-70.07	424.63	3.60	-66.47
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CC[NH+](C)CC1	REAL300025443776	0	52	0.0	-76.77	415.27	3.50	-73.27
CC(C)[C@H](C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025443791	0	54	0.0	-71.61	421.10	3.74	-67.87
CCC(C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025443818	0	57	0.0	-68.02	438.17	4.21	-63.81
CC[N@H+](C)CCC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443848	0	51	0.0	-73.00	415.74	3.36	-69.64
CC[N@@H+](C)CCC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443848	1	51	0.0	-73.07	415.74	3.35	-69.72
CC1CCC[N@@H+]1CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443871	0	52	0.0	-68.98	422.90	3.68	-65.30
CC1CCC[N@H+]1CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025443871	1	52	0.0	-68.99	414.69	3.47	-65.52
CC1CC[N@H+](CC(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025443872	0	52	0.0	-72.86	421.94	3.83	-69.03
CC1CC[N@@H+](CC(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025443872	1	52	0.0	-71.71	421.72	3.81	-67.90
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025443874	0	55	0.0	-71.69	441.11	4.34	-67.35
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300025443874	1	55	0.0	-71.30	440.67	4.33	-66.97
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300025443875	0	57	0.0	-71.69	445.41	4.62	-67.07
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300025443875	1	57	0.0	-72.44	443.47	4.48	-67.96
CC[C@@H](C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025443882	0	51	0.0	-71.35	404.94	2.88	-68.47
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+](C)C	REAL300025443954	0	45	0.0	-73.88	377.16	1.99	-71.89
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CCCCCC1	REAL300025443957	0	55	0.0	-73.41	428.25	4.05	-69.36
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N+]1=CN(C)C=C1	REAL300025443960	0	47	0.0	-70.88	407.71	5.57	-65.31
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@H+](C)C1	REAL300025443964	0	52	0.0	-64.55	409.99	3.52	-61.03
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@@H+](C)C1	REAL300025443964	1	52	0.0	-66.21	409.10	3.63	-62.58
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300025443969	0	53	0.0	-70.40	427.42	3.95	-66.45
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@H+]1C1CC1	REAL300025443969	1	53	0.0	-69.85	418.71	3.56	-66.29
CC(C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025443981	1	49	0.0	-69.48	402.75	3.02	-66.46
CCC(CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025443985	0	57	0.0	-68.25	451.78	4.74	-63.51
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C(C)(C)C[NH+](C)C	REAL300025443990	0	54	0.0	-74.23	418.47	3.21	-71.02
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CCC(O)CC1	REAL300025444001	1	53	0.0	-77.05	429.98	0.52	-76.53
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+](C)C1CC1	REAL300025444002	0	49	0.0	-69.51	405.04	3.49	-66.02
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+](C)C1CC1	REAL300025444002	1	49	0.0	-69.27	405.80	3.38	-65.89
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1C[NH+](C)C1	REAL300025444016	0	49	0.0	-74.86	407.92	2.92	-71.94
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025444026	0	55	0.0	-70.73	416.06	2.98	-67.75
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300025444026	1	55	0.0	-70.88	437.12	3.64	-67.24
C[C@@H](C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025444036	0	48	0.0	-69.76	392.17	2.48	-67.28
CN(CC1CN(C(=O)CSC2=NC(=O)NN2)C1)C(=O)CN=[N+]=[N-]	REAL300025444043	0	39	0.0	-26.26	354.11	-2.41	-28.67
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CN1C=CSC1=[NH2+]	REAL300025444085	0	45	0.0	-68.10	402.71	2.26	-65.84
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC[N@H+](C)CCO	REAL300025444090	0	52	0.0	-75.45	427.62	0.05	-75.40
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC[N@@H+](C)CCO	REAL300025444090	1	52	0.0	-72.10	426.03	0.13	-71.97
C[C@@H](C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025444091	0	48	0.0	-69.76	392.17	2.48	-67.28
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025444094	0	52	0.0	-69.49	416.79	3.65	-65.84
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300025444094	1	52	0.0	-72.87	409.26	3.32	-69.55
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CCC1	REAL300025444139	1	46	0.0	-73.65	387.31	2.41	-71.24
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C=C1CC[N@H+](C)C1	REAL300025444153	0	50	0.0	-73.76	412.69	3.68	-70.08
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C=C1CC[N@@H+](C)C1	REAL300025444153	1	50	0.0	-76.96	414.26	3.68	-73.28
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)COCC[NH+](C)C	REAL300025444173	0	52	0.0	-73.10	433.03	3.12	-69.98
C=CCC(C)(C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025444184	0	55	0.0	-74.94	420.47	3.61	-71.33
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300025444201	0	53	0.0	-70.29	414.96	-0.90	-71.19
CC1CN(CC(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025444218	0	49	0.0	-72.07	406.90	3.18	-68.89
CC1C[NH+](CC(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025444218	1	49	0.0	-72.07	406.90	3.18	-68.89
CN(CCO)CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444235	0	49	0.0	-73.92	405.29	-0.46	-74.38
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+](C)CCO	REAL300025444235	1	49	0.0	-72.11	403.52	-0.50	-72.61
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+](C)CCO	REAL300025444235	1	49	0.0	-72.11	403.52	-0.50	-72.61
CC[N@@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025444254	0	55	0.0	-70.42	432.92	4.11	-66.31
CC[N@H+]1CCCC(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025444254	1	55	0.0	-70.42	432.92	4.11	-66.31
CC(CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025444256	0	54	0.0	-75.45	434.35	4.04	-71.41
CC[N@H+](C)CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444259	0	48	0.0	-71.67	393.40	2.75	-68.92
CC[N@H+](CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025444283	0	52	0.0	-70.43	417.04	4.00	-66.43
CC[NH+](CC)CCC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444291	0	54	0.0	-74.34	430.77	3.67	-70.67
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CN1CC(C)(C)C1	REAL300025444305	0	52	0.0	-72.22	426.06	3.66	-68.56
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CC(C)(C)C1	REAL300025444305	1	52	0.0	-72.22	426.06	3.66	-68.56
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300025444321	0	53	0.0	-72.06	433.26	0.40	-71.66
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C=CC[NH+](C)C	REAL300025444324	0	49	0.0	-78.30	412.89	3.34	-74.96
COCCN(C)CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444337	0	52	0.0	-71.70	425.78	1.90	-69.80
COCC[N@H+](C)CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444337	1	52	0.0	-74.09	427.53	1.94	-72.15
COCC[N@@H+](C)CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444337	1	52	0.0	-74.09	427.53	1.94	-72.15
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1([NH+](C)C)CCCC1	REAL300025444354	0	55	0.0	-79.35	419.47	3.79	-75.56
CC(CCC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025444356	0	54	0.0	-73.74	434.45	3.77	-69.97
CCN1CCC1C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444362	0	49	0.0	-73.08	407.30	2.90	-70.18
CC[N@@H+]1CCC1C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444362	1	49	0.0	-69.65	399.26	2.72	-66.93
CC[N@H+]1CCC1C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444362	1	49	0.0	-69.65	399.26	2.72	-66.93
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+]1CCCC1CO	REAL300025444372	0	53	0.0	-71.12	430.89	0.63	-70.49
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1(C)CC[NH+](C)CC1	REAL300025444388	0	55	0.0	-67.19	424.29	3.58	-63.61
C=CCC(C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025444404	0	52	0.0	-71.73	419.82	3.62	-68.11
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025444411	0	55	0.0	-71.79	434.69	3.68	-68.11
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CC(C)(C)C[N@H+]1C	REAL300025444411	1	55	0.0	-71.79	434.69	3.68	-68.11
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CCCCC[NH+](C)C	REAL300025444413	0	57	0.0	-75.45	463.34	5.02	-70.43
CCCC(C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025444430	0	54	0.0	-72.35	425.71	3.73	-68.62
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C(C)(C)[NH+](C)C	REAL300025444433	0	51	0.0	-75.03	397.61	2.73	-72.30
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCCC[N@@H+]1C	REAL300025444456	0	52	0.0	-67.75	414.36	3.58	-64.17
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1=CC[N@H+](C)CC1	REAL300025444475	0	53	0.0	-67.26	435.93	4.38	-62.88
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1=CC[N@@H+](C)CC1	REAL300025444475	1	53	0.0	-67.26	435.93	4.38	-62.88
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C=CC[NH+]1CCCC1	REAL300025444505	0	53	0.0	-77.03	438.65	4.43	-72.60
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC[NH+]1CCCC1	REAL300025444532	0	52	0.0	-72.45	423.96	3.85	-68.60
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1C[NH+]2CCN1CC2	REAL300025444553	0	52	0.0	-75.68	409.76	0.10	-75.58
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300025444557	0	50	0.0	-76.33	404.28	3.01	-73.32
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+]1CC2CCC1C2	REAL300025444562	0	53	0.0	-69.07	419.94	3.98	-65.09
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+]1CC2CCC1C2	REAL300025444562	1	53	0.0	-69.07	419.94	3.98	-65.09
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CN1CC2C=CC1C2	REAL300025444597	0	51	0.0	-70.66	416.00	3.87	-66.79
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025444597	1	51	0.0	-67.83	415.82	3.97	-63.86
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+]1CC2C=CC1C2	REAL300025444597	1	51	0.0	-67.83	415.82	3.97	-63.86
CC(C[NH+](C)C)C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444627	0	51	0.0	-75.78	412.91	3.15	-72.63
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1CCCC[N@@H+]1C	REAL300025444666	0	55	0.0	-64.29	427.80	4.18	-60.11
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1CCCC[N@H+]1C	REAL300025444666	1	55	0.0	-64.29	427.80	4.18	-60.11
CC1CCN1CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444677	0	49	0.0	-71.12	407.82	3.04	-68.08
CC1CC[N@@H+]1CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444677	1	49	0.0	-69.73	401.47	2.89	-66.84
CC1CC[N@H+]1CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444677	1	49	0.0	-69.73	401.47	2.89	-66.84
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC(O)C[NH+](C)C	REAL300025444679	0	52	0.0	-78.39	429.78	1.06	-77.33
CC1CN(C)CC(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025444696	0	53	0.0	-86.32	421.80	2.62	-83.70
CC1C[N@H+](C)CC(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025444696	1	53	0.0	-80.06	422.91	2.88	-77.18
CC1C[N@@H+](C)CC(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025444696	1	53	0.0	-80.06	422.91	2.88	-77.18
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025444734	0	52	0.0	-73.40	424.78	3.84	-69.56
CC(CC[NH+](C)C)C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025444738	0	54	0.0	-75.52	433.80	3.77	-71.75
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CN1CCN(C)CC1	REAL300025444753	0	54	0.0	-69.26	434.77	1.59	-67.67
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CN1CC[NH+](C)CC1	REAL300025444753	1	54	0.0	-69.26	434.77	1.59	-67.67
CN(CC1CN(C(=O)C2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025444923	0	49	0.0	-60.71	395.12	2.63	-58.08
CN(CC1CN(C(=O)C2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025444923	1	49	0.0	-60.71	395.12	2.63	-58.08
CN(CC1CN(C(=O)C2CN(C)CCO2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025444949	0	50	0.0	-65.59	401.82	2.28	-63.31
CN(CC1CN(C(=O)C2C[N@H+](C)CCO2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025444949	1	50	0.0	-65.45	402.85	2.22	-63.23
CN(CC1CN(C(=O)C2C[N@@H+](C)CCO2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025444949	1	50	0.0	-65.45	402.85	2.22	-63.23
CN(CC1CN(C(=O)CCN2CCOCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445097	0	53	0.0	-78.38	432.45	2.09	-76.29
CN(CC1CN(C(=O)CC[NH+]2CCOCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445097	1	53	0.0	-78.38	432.45	2.09	-76.29
CN(CC1CN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445105	0	53	0.0	-78.84	411.52	3.69	-75.15
CN(CC1CN(C(=O)CC2CC[N@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445128	0	52	0.0	-66.74	423.59	3.63	-63.11
CN(CC1CN(C(=O)CC2CC[N@@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445128	1	52	0.0	-66.74	423.59	3.63	-63.11
CCC(C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025445134	0	51	0.0	-73.01	410.14	3.25	-69.76
CN(CC1CN(C(=O)CCCC[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445166	0	54	0.0	-77.67	442.54	4.21	-73.46
CC(C)C(C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025445179	0	54	0.0	-60.60	420.55	3.77	-56.83
CCC[N@H+](C)CCC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445180	0	54	0.0	-64.59	437.23	4.10	-60.49
CCC[N@@H+](C)CCC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445180	1	54	0.0	-76.24	438.77	4.04	-72.20
CCC[N@H+](C)CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445183	0	51	0.0	-61.85	415.76	3.46	-58.39
CCC[N@@H+](C)CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445183	1	51	0.0	-61.80	415.77	3.45	-58.35
CN(CC1CN(C(=O)C23CC[N@H+](C2)CCC3)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445196	0	53	0.0	-75.71	414.06	3.02	-72.69
CN(CC1CN(C(=O)C23CC[N@@H+](C2)CCC3)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445196	1	53	0.0	-77.19	414.44	3.09	-74.10
CC1CC[NH+](CC(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025445221	0	55	0.0	-72.99	439.75	4.54	-68.45
CN(CC1CN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445258	0	52	0.0	-62.43	427.27	3.83	-58.60
CC[N@H+](C)CCC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445275	0	51	0.0	-75.74	417.27	3.30	-72.44
CC[N@@H+](C)CCC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445275	1	51	0.0	-75.59	417.27	3.31	-72.28
CN(CC1CN(C(=O)C2C[NH+]3CCC2CC3)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445287	0	53	0.0	-65.25	415.96	3.84	-61.41
CN(CC1CN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445325	0	52	0.0	-66.17	417.62	3.57	-62.60
CC(C)[C@H](C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025445340	0	54	0.0	-59.95	418.66	3.61	-56.34
CN(CC1CN(C(=O)C2([NH+](C)C)CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445403	0	52	0.0	-61.20	406.17	3.38	-57.82
CCC(C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025445430	0	57	0.0	-67.92	441.27	4.33	-63.59
CC1CCC[N@@H+]1CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445439	0	52	0.0	-69.62	415.32	3.49	-66.13
CC1CCC[N@H+]1CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445439	1	52	0.0	-58.90	421.46	3.71	-55.19
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445466	0	55	0.0	-69.08	428.38	4.45	-64.63
CC(C)[N@H+]1CCCC1C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445466	1	55	0.0	-57.95	432.09	4.14	-53.81
CC(C)[C@@H](C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025445473	0	54	0.0	-60.21	419.10	3.59	-56.62
CC1CC[N@H+](CC(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025445483	0	52	0.0	-72.17	422.78	3.87	-68.30
CC1CC[N@@H+](CC(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025445483	1	52	0.0	-60.26	420.98	3.81	-56.45
CN(CC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445485	0	55	0.0	-72.26	442.23	4.37	-67.89
CN(CC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445485	1	55	0.0	-72.22	441.71	4.34	-67.88
CN(CC1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445486	0	57	0.0	-60.71	445.42	4.69	-56.02
CN(CC1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445486	1	57	0.0	-60.93	443.47	4.53	-56.40
CC[C@@H](C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025445493	0	51	0.0	-60.48	406.68	3.01	-57.47
CC1=[NH+]C=CN1CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445573	1	47	0.0	-60.71	405.94	3.64	-57.07
CC[N@@H+]1CCOC(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025445616	1	53	0.0	-66.88	428.80	3.13	-63.75
CC[N@H+]1CCOC(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025445616	1	53	0.0	-62.69	421.67	2.93	-59.76
CC1=C[NH+]=CN1CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445636	1	47	0.0	-62.98	405.12	4.48	-58.50
C[C@@H]1[C@H](C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025445641	0	52	0.0	-64.66	413.75	3.39	-61.27
C[C@@H]1[C@H](C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025445641	1	52	0.0	-64.51	419.92	3.36	-61.15
CC[C@@H]1[C@@H](C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025445643	0	55	0.0	-64.67	429.02	3.65	-61.02
CC[C@@H]1[C@@H](C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025445643	1	55	0.0	-64.10	434.68	4.06	-60.04
CC1CCC(C)[NH+]1CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445648	0	55	0.0	-68.62	433.93	4.02	-64.60
CN(CC1CN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445650	0	55	0.0	-75.16	447.03	4.70	-70.46
CN(CC1CN(C(=O)CC[NH+]2CCCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445654	0	55	0.0	-74.62	441.20	4.60	-70.02
CC[N@@H+]1CCCCC1C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445657	0	55	0.0	-58.77	423.18	3.88	-54.89
CC[N@H+]1CCCCC1C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445657	1	55	0.0	-58.89	423.06	3.86	-55.03
CN(CC1CN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445737	0	52	0.0	-60.12	422.77	4.04	-56.08
CN(CC1CN(C(=O)C[N@@H+](C)C2CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445737	1	52	0.0	-59.70	421.73	4.12	-55.58
CN(CC1CN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445761	0	52	0.0	-66.17	417.62	3.57	-62.60
CN(CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445783	0	49	0.0	-59.92	400.91	3.14	-56.78
CN(CC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445783	1	49	0.0	-73.89	395.57	2.59	-71.30
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445800	1	51	0.0	-58.77	421.68	3.82	-54.95
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025445800	1	51	0.0	-59.33	428.14	4.27	-55.06
CN(CC1CN(C(=O)CCC2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445805	0	55	0.0	-73.92	438.60	4.17	-69.75
CN(CC1CN(C(=O)CCC2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445805	1	55	0.0	-64.39	443.02	4.64	-59.75
CN(CC1CN(C(=O)C2CCCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445868	0	52	0.0	-59.47	417.78	3.72	-55.75
CN(CC1CN(C(=O)C2CCCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445868	1	52	0.0	-59.67	417.94	3.61	-56.06
CC1C(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025445917	0	52	0.0	-74.82	420.74	3.56	-71.26
CC1C(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025445917	1	52	0.0	-74.51	414.02	3.07	-71.44
CN(CC1CN(C(=O)C2CC[N@@H+]2C(C)(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445967	0	55	0.0	-58.61	417.69	2.89	-55.72
CN(CC1CN(C(=O)C2CC[N@H+]2C(C)(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445967	1	55	0.0	-71.01	438.68	3.75	-67.26
C[C@@H](C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025445980	0	48	0.0	-61.00	392.77	2.49	-58.51
C=CCC(C)(C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025445992	0	55	0.0	-67.26	426.14	3.73	-63.53
CN(CC1CN(C(=O)CC[NH+]2CCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446004	0	52	0.0	-74.84	425.53	3.90	-70.94
CN(CC1CN(C(=O)C[N@H+](C)CCO)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446012	1	49	0.0	-62.22	403.71	-0.43	-62.65
CN(CC1CN(C(=O)C[N@@H+](C)CCO)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446012	1	49	0.0	-61.63	403.51	-0.42	-62.05
CN(CC1CN(C(=O)CC2=CC[N@H+](C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446058	0	53	0.0	-74.29	436.26	4.41	-69.88
CN(CC1CN(C(=O)CC2=CC[N@@H+](C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446058	1	53	0.0	-66.30	435.65	4.37	-61.93
CN(CC1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446076	0	53	0.0	-71.29	421.96	-0.31	-71.60
CN(CC1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446076	1	53	0.0	-81.70	417.45	-0.02	-81.72
CC1C[NH+](CC(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025446102	1	49	0.0	-61.57	406.93	3.23	-58.34
CC[N@@H+]1CCCC(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025446108	0	55	0.0	-77.00	438.37	4.29	-72.71
CC[N@H+]1CCCC(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025446108	1	55	0.0	-68.09	429.12	4.35	-63.74
CN(CC1CN(C(=O)C2CCC[N@@H+]2C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446119	0	53	0.0	-59.15	426.64	3.88	-55.27
CN(CC1CN(C(=O)C2CCC[N@H+]2C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446119	1	53	0.0	-58.76	425.66	3.95	-54.81
CN(CC1CN(C(=O)C=CC[NH+]2CCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446140	0	53	0.0	-78.65	437.61	4.34	-74.31
CC[N@H+](C)CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025446177	0	48	0.0	-61.52	394.27	2.70	-58.82
CN(CC1CN(C(=O)CN2CC3C=CC2C3)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446206	0	51	0.0	-70.99	416.89	4.04	-66.95
CN(CC1CN(C(=O)C[N@@H+]2CC3C=CC2C3)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446206	1	51	0.0	-69.05	416.14	3.90	-65.15
CN(CC1CN(C(=O)C[N@H+]2CC3C=CC2C3)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446206	1	51	0.0	-69.05	416.14	3.90	-65.15
CN(CC1CN(C(=O)C2C[NH+]3CCN2CC3)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446250	0	52	0.0	-66.29	410.72	0.45	-65.84
COCCN(C)CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025446281	0	52	0.0	-61.41	425.76	1.97	-59.44
COCC[N@H+](C)CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025446281	1	52	0.0	-62.25	426.87	1.88	-60.37
COCC[N@@H+](C)CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025446281	1	52	0.0	-62.25	426.87	1.88	-60.37
CC(CCC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025446284	0	54	0.0	-74.44	434.53	3.83	-70.61
CC[N@H+](CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025446297	0	52	0.0	-69.90	423.56	4.11	-65.79
CN(CC1CN(C(=O)C23CC(C2)C[N@@H+]3C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446322	0	50	0.0	-59.54	404.30	3.30	-56.24
CN(CC1CN(C(=O)C[N@@H+]2CC3CCC2C3)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446329	0	53	0.0	-69.97	421.15	3.94	-66.03
CN(CC1CN(C(=O)C[N@H+]2CC3CCC2C3)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446329	1	53	0.0	-69.97	421.15	3.94	-66.03
CC(C[NH+](C)C)C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025446342	0	51	0.0	-67.36	413.11	3.22	-64.14
CC[N@@H+]1CCC1C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025446370	0	49	0.0	-60.87	407.64	3.16	-57.71
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025446376	0	57	0.0	-71.25	441.78	2.79	-68.46
CCCC(C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025446406	0	54	0.0	-73.77	430.42	3.96	-69.81
CN(CC1CN(C(=O)C(C)(C)[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446410	0	51	0.0	-72.81	399.77	3.12	-69.69
CC(CC[NH+](C)C)C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025446423	0	54	0.0	-76.09	434.87	3.73	-72.36
CN(CC1CN(C(=O)C2CC(C)(C)C[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446471	0	55	0.0	-70.35	430.60	3.69	-66.66
CN(CC1CN(C(=O)C2CC(C)(C)C[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446471	1	55	0.0	-70.35	430.60	3.69	-66.66
CN(CC1CN(C(=O)CCCCC[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446473	0	57	0.0	-77.19	464.04	5.00	-72.19
CN(CC1CN(C(=O)CN2CCN(C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446480	0	54	0.0	-67.09	435.05	1.63	-65.46
CN(CC1CN(C(=O)CN2CC[NH+](C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446480	1	54	0.0	-67.09	435.05	1.63	-65.46
CC1CN(C)CC(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025446521	0	53	0.0	-69.39	430.71	3.10	-66.29
CC1C[N@H+](C)CC(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025446521	1	53	0.0	-85.11	423.15	2.73	-82.38
CC1C[N@@H+](C)CC(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025446521	1	53	0.0	-85.11	423.15	2.73	-82.38
CN(CC1CN(C(=O)C[NH+]2CC3CC3C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446548	0	50	0.0	-60.68	411.10	4.01	-56.67
CN(CC1CN(C(=O)C2CCCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446565	0	52	0.0	-59.67	417.94	3.61	-56.06
CN(CC1CN(C(=O)C=C2CC[N@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446623	0	50	0.0	-78.09	415.81	3.67	-74.42
CN(CC1CN(C(=O)C=C2CC[N@@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446623	1	50	0.0	-78.09	415.81	3.67	-74.42
CN(CC1CN(C(=O)CNC2=CC=[NH+]C=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446625	0	48	0.0	-74.43	412.92	1.43	-73.00
CN(CC1CN(C(=O)C2([NH+](C)C)CCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446675	0	55	0.0	-61.99	418.28	3.72	-58.27
CN(CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446691	0	49	0.0	-59.31	398.12	2.95	-56.36
CN(CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446691	1	49	0.0	-59.31	398.12	2.95	-56.36
CN(CC1CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446769	0	52	0.0	-65.77	424.90	3.86	-61.91
CN(CC1CN(C(=O)C2(CC[NH+](C)C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446777	0	55	0.0	-82.62	451.63	4.57	-78.05
CN(CC1CN(C(=O)CC2CC=CC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446778	0	53	0.0	-58.42	423.17	4.06	-54.36
CN(CC1CN(C(=O)CC2CC=CC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446778	1	53	0.0	-58.42	423.17	4.06	-54.36
CN(CC1CN(C(=O)COCC[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446806	0	52	0.0	-73.98	433.07	3.26	-70.72
CN(CC1CN(C(=O)CN2C=CSC2=[NH2+])C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446830	0	45	0.0	-59.40	402.69	2.32	-57.08
CN(CC1CN(C(=O)C[NH+]2CCCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446885	0	52	0.0	-60.67	418.27	3.90	-56.77
CN(CC1CN(C(=O)C2CCC[N@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446886	0	52	0.0	-75.07	419.50	3.47	-71.60
CN(CC1CN(C(=O)C2CCC[N@@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446886	1	52	0.0	-59.75	411.49	3.73	-56.02
CN(CC1CN(C(=O)C[NH+]2CCCCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446887	0	55	0.0	-60.44	426.71	4.20	-56.24
CN(CC1CN(C(=O)C[N+]2=CN(C)C=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446890	0	47	0.0	-61.07	406.86	5.65	-55.42
CN(CC1CN(C(=O)C[NH+]2CCC(O)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446909	1	53	0.0	-77.22	429.99	0.57	-76.65
CN(CC1CN(C(=O)C[N@@H+](C)C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446910	1	49	0.0	-69.79	406.49	3.56	-66.23
CCOCC(N=[N+]=[N-])C(=O)N1CC(CN(C)C(=O)CSC2=NC(=O)NN2)C1	REAL300025446925	0	49	0.0	-22.64	427.51	-1.40	-24.04
CC(CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025446928	0	54	0.0	-66.57	432.82	4.15	-62.42
CN(CC1CN(C(=O)CC2COCCN2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446945	0	53	0.0	-67.66	427.51	1.88	-65.78
CN(CC1CN(C(=O)CC2COCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446945	1	53	0.0	-80.06	427.84	1.87	-78.19
CN(CC1CN(C(=O)CC2COCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446945	1	53	0.0	-67.66	427.51	1.88	-65.78
CN(CC1CN(C(=O)C[N@H+]2CCC(C)(O)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447006	1	53	0.0	-71.63	432.59	0.54	-71.09
CN(CC1CN(C(=O)CC2C[NH+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447027	0	49	0.0	-76.12	408.49	2.99	-73.13
CN(CC1CN(C(=O)C[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447036	0	45	0.0	-62.39	375.63	2.14	-60.25
CN(CC1CN(C(=O)CC[N@H+](C)CCO)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447050	0	52	0.0	-74.99	427.62	0.09	-74.90
CN(CC1CN(C(=O)CC[N@@H+](C)CCO)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447050	1	52	0.0	-64.11	426.07	0.13	-63.98
C[C@@H](C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025447051	0	48	0.0	-61.00	392.77	2.49	-58.51
CN(CC1CN(C(=O)CC2CCCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447065	0	55	0.0	-64.23	434.94	4.32	-59.91
CN(CC1CN(C(=O)CC2CCCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447065	1	55	0.0	-57.65	427.44	4.20	-53.45
CC(C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025447075	0	52	0.0	-59.80	422.47	3.60	-56.20
CC1CC[N@H+]1CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025447077	1	49	0.0	-72.23	408.45	3.19	-69.04
CN(CC1CN(C(=O)C=CC[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447083	0	49	0.0	-80.16	414.26	3.30	-76.86
CN(CC1CN(C(=O)C[NH+]2CC(C)(C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447088	1	52	0.0	-61.30	426.36	3.74	-57.56
CN(CC1CN(C(=O)C[N@H+]2CCCC2CO)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447122	1	53	0.0	-69.33	422.29	0.66	-68.67
CC[NH+](CC)CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025447124	0	51	0.0	-59.83	411.73	3.48	-56.35
CN(CC1CN(C(=O)C[NH+]2CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447133	1	46	0.0	-62.02	386.33	2.61	-59.41
CC[NH+](CC)CCC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025447161	0	54	0.0	-63.00	433.58	4.06	-58.94
CC(C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025447211	0	49	0.0	-59.88	398.06	2.78	-57.10
CCC(CC(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025447216	0	57	0.0	-77.29	450.00	4.90	-72.39
CN(CC1CN(C(=O)C(C)(C)C[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447221	0	54	0.0	-64.02	419.20	3.42	-60.60
CN(CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447250	0	52	0.0	-59.74	418.20	3.64	-56.10
CN(CC1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447250	1	52	0.0	-60.68	407.18	3.27	-57.41
CN(CC1CN(C(=O)CC(O)C[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447269	0	52	0.0	-79.69	429.81	1.22	-78.47
C=CCC(C(=O)N1CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025447289	0	52	0.0	-60.00	420.98	3.75	-56.25
CN(CC1CN(C(=O)C2(C)CC[NH+](C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447300	0	55	0.0	-77.99	428.04	3.69	-74.30
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CSC(N)=[NH2+]	REAL300025447321	0	43	0.0	-75.87	384.40	-0.92	-76.79
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1(CC[NH+](C)C)CC1	REAL300025447344	0	55	0.0	-71.20	448.23	4.41	-66.79
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1CC=CC[N@@H+]1C	REAL300025447345	0	53	0.0	-66.77	423.39	4.04	-62.73
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1CC=CC[N@H+]1C	REAL300025447345	1	53	0.0	-65.00	422.23	4.12	-60.88
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025447431	0	49	0.0	-68.25	397.70	2.86	-65.39
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300025447431	1	49	0.0	-68.25	397.70	2.86	-65.39
CC1C(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025447453	0	52	0.0	-73.93	411.63	3.39	-70.54
CC1C(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025447453	1	52	0.0	-73.93	411.63	3.39	-70.54
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1COCCN1C	REAL300025447481	0	53	0.0	-69.25	420.30	1.81	-67.44
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1COCC[N@@H+]1C	REAL300025447481	1	53	0.0	-78.74	425.93	1.94	-76.80
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1COCC[N@H+]1C	REAL300025447481	1	53	0.0	-78.74	425.93	1.94	-76.80
C[N@@H+]1CCCC1C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447638	0	53	0.0	-70.06	429.99	3.24	-66.82
CCC(C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025447741	0	55	0.0	-71.78	436.11	3.84	-67.94
CCC[N@H+](C)CC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447746	0	55	0.0	-72.84	442.80	3.56	-69.28
CCC[N@@H+](C)CC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447746	1	55	0.0	-72.84	442.80	3.56	-69.28
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447754	0	53	0.0	-70.21	429.93	3.21	-67.00
CC[NH+](CC)CC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447759	0	55	0.0	-70.85	439.01	3.54	-67.31
CC[N@H+](C)CCC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447817	0	55	0.0	-75.54	443.66	3.37	-72.17
CC[N@@H+](C)CCC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447817	1	55	0.0	-75.54	443.66	3.37	-72.17
CC[C@@H](C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025447820	0	55	0.0	-69.66	433.22	3.22	-66.44
CC(C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1)N1CCC1	REAL300025447842	0	53	0.0	-70.31	433.10	3.16	-67.15
CC(C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025447842	1	53	0.0	-70.31	433.10	3.16	-67.15
C[N@H+](CC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025447849	0	53	0.0	-69.62	432.83	3.56	-66.06
C[NH+]1CC(CC(=O)NCC2CC3(CC3)CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025447855	0	53	0.0	-75.59	434.47	3.01	-72.58
O=C(CN1CCC1)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447902	0	50	0.0	-72.73	413.36	2.61	-70.12
O=C(C[NH+]1CCC1)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447902	1	50	0.0	-72.73	413.36	2.61	-70.12
CC1CN(CC(=O)NCC2CC3(CC3)CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025447920	0	53	0.0	-73.33	433.82	3.32	-70.01
CC1C[NH+](CC(=O)NCC2CC3(CC3)CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025447920	1	53	0.0	-73.33	433.82	3.32	-70.01
CN(CCO)CC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447931	0	53	0.0	-73.37	431.65	-0.42	-73.79
C[N@H+](CCO)CC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447931	1	53	0.0	-73.78	431.61	-0.40	-74.18
C[N@@H+](CCO)CC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447931	1	53	0.0	-73.78	431.61	-0.40	-74.18
CC[N@H+](C)CC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447938	0	52	0.0	-72.59	421.28	2.82	-69.77
C[NH+](C)CC=CC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447956	0	53	0.0	-78.46	440.79	3.40	-75.06
CCN1CCC1C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447962	0	53	0.0	-70.37	426.96	3.07	-67.30
CC[N@@H+]1CCC1C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447962	1	53	0.0	-72.48	434.65	3.21	-69.27
CC[N@H+]1CCC1C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447962	1	53	0.0	-72.48	434.65	3.21	-69.27
C[NH+](C)C(C)(C)C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025447976	0	55	0.0	-53.48	419.41	4.05	-49.43
CC(C[NH+](C)C)C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025448021	0	55	0.0	-65.94	441.36	3.58	-62.36
CC1CCN1CC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025448032	0	53	0.0	-70.37	429.03	3.00	-67.37
CC1CC[N@@H+]1CC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025448032	1	53	0.0	-71.77	434.88	3.23	-68.54
CC1CC[N@H+]1CC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025448032	1	53	0.0	-71.77	434.88	3.23	-68.54
C[N@@H+]1CCCC1C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448147	0	53	0.0	-68.77	422.47	2.61	-66.16
CCC(C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025448221	0	55	0.0	-69.40	432.01	3.07	-66.33
CCC[N@H+](C)CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448224	0	55	0.0	-71.44	442.78	3.51	-67.93
CCC[N@@H+](C)CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448224	1	55	0.0	-71.30	442.97	3.54	-67.76
CC[N@H+](C)CCC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448240	0	55	0.0	-74.39	443.14	3.37	-71.02
CC[N@@H+](C)CCC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448240	1	55	0.0	-73.61	443.84	3.35	-70.26
CC[C@@H](C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025448266	0	55	0.0	-67.03	429.96	3.04	-63.99
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448303	0	53	0.0	-69.71	421.69	2.60	-67.11
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448303	1	53	0.0	-68.97	425.15	2.95	-66.02
C[C@@H](C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025448348	0	52	0.0	-70.00	417.80	2.43	-67.57
C[N@H+](CCO)CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448358	1	53	0.0	-71.63	431.82	-0.44	-72.07
C[N@@H+](CCO)CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448358	1	53	0.0	-71.69	431.41	-0.44	-72.13
CC1C[NH+](CC(=O)N2CC3(CC3)CC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025448374	1	53	0.0	-71.69	434.80	3.20	-68.49
CC[N@H+](C)CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448390	0	52	0.0	-71.12	421.46	2.79	-68.33
CC[N@@H+](C)CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448390	1	52	0.0	-71.23	421.24	2.77	-68.46
CC(C[NH+](C)C)C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448417	0	55	0.0	-61.93	438.62	4.07	-57.86
C[C@H](C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025448421	0	52	0.0	-70.97	419.94	2.49	-68.48
CC[N@@H+]1CCC1C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448424	1	53	0.0	-71.68	434.41	3.10	-68.58
CC[N@H+]1CCC1C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448424	1	53	0.0	-70.62	425.02	2.78	-67.84
[N-]=[N+]=NCC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NC(=O)NN1	REAL300025448474	0	43	0.0	-24.63	380.01	-2.28	-26.91
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448483	0	53	0.0	-69.28	426.33	2.97	-66.31
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448483	1	53	0.0	-69.22	422.34	2.62	-66.60
C[N@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025448513	0	53	0.0	-68.73	432.31	3.53	-65.20
C[N@@H+](CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025448513	1	53	0.0	-68.69	433.15	3.52	-65.17
C[NH+]1CC(CC(=O)N2CC3(CC3)CC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025448537	0	53	0.0	-74.06	434.49	2.97	-71.09
C[NH+](C)CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448540	0	49	0.0	-72.46	403.04	2.12	-70.34
C[C@@H](C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025448543	0	52	0.0	-70.00	417.80	2.43	-67.57
CC1CC[N@@H+]1CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448550	1	53	0.0	-69.18	429.34	2.92	-66.26
CC1CC[N@H+]1CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448550	1	53	0.0	-69.06	429.55	2.95	-66.11
C[NH+](C)CC=CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448551	0	53	0.0	-78.14	439.11	3.36	-74.78
CC[NH+](CC)CC(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025448557	0	55	0.0	-70.03	439.22	3.46	-66.57
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2(CC2)CN1C(=O)C[NH+]1CCC1	REAL300025448558	1	50	0.0	-71.96	413.89	2.58	-69.38
CC(C(=O)N1CC2(CC2)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025448576	1	53	0.0	-69.74	426.30	2.81	-66.93
NC(=[NH2+])SCC(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025448607	0	47	0.0	-76.19	410.95	-0.87	-77.06
C[N@@H+]1CCC[C@H]1C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025448639	0	53	0.0	-68.39	428.93	3.13	-65.26
C[N@H+]1CCC[C@H]1C(=O)NCC1CC2(CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025448639	1	53	0.0	-73.76	423.11	2.73	-71.03
C[NH+](C)CC(=O)NCC1=C(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)OC=N1	REAL300025448695	0	48	0.0	-73.16	414.29	-1.68	-74.84
[N-]=[N+]=NCC(=O)NCC1=C(C2CN(C(=O)CSC3=NC(=O)NN3)C2)OC=N1	REAL300025448700	1	42	0.0	-26.75	391.26	-6.08	-32.83
C[NH+](C)CC(=O)N1CC(C2=C(CNC(=O)CSC3=NNC(=O)[N-]3)N=CO2)C1	REAL300025448771	0	48	0.0	-75.49	414.29	-1.69	-77.18
C[NH+](C)CC(=O)NCC12CCN(C(=O)CSC3=NNC(=O)[N-]3)C1CCCC2	REAL300025448813	0	55	0.0	-76.69	420.65	2.91	-73.78
[N-]=[N+]=NCC(=O)NCC12CCN(C(=O)CSC3=NC(=O)NN3)C1CCCC2	REAL300025448818	0	49	0.0	-25.76	397.87	-1.58	-27.34
[N-]=[N+]=NCC(=O)N1CCC2(CNC(=O)CSC3=NC(=O)NN3)CCCCC12	REAL300025448878	0	49	0.0	-25.53	397.68	-1.52	-27.05
C[NH+](C)CC(=O)N1CCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCCC12	REAL300025448884	0	55	0.0	-69.39	420.61	2.89	-66.50
C[N@@H+]1CCCC1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449092	0	50	0.0	-74.05	406.76	1.76	-72.29
C[N@H+]1CCCC1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449092	1	50	0.0	-72.51	412.67	2.25	-70.26
C[N@@H+]1CCOC(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449116	1	51	0.0	-80.50	417.11	1.44	-79.06
C[N@H+]1CCOC(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449116	1	51	0.0	-88.47	424.21	1.67	-86.80
CC1=[NH+]C=CN1CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449255	1	48	0.0	-72.21	416.27	2.83	-69.38
C[C@@H]1[C@H](C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025449274	0	53	0.0	-77.95	424.33	2.42	-75.53
C[C@@H]1[C@H](C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025449274	1	53	0.0	-77.44	429.69	2.47	-74.97
C[NH+](C)C1(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CCC1	REAL300025449295	0	53	0.0	-79.47	426.16	2.84	-76.63
CC(C)[C@@H](C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025449297	0	55	0.0	-70.81	429.70	2.81	-68.00
C[N@H+](CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025449307	0	53	0.0	-73.53	433.06	3.19	-70.34
C[N@@H+](CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025449307	1	53	0.0	-74.12	432.97	3.19	-70.93
C[NH+]1CCC(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025449333	0	53	0.0	-79.73	431.43	2.88	-76.85
C[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449339	0	53	0.0	-68.02	427.45	2.87	-65.15
C[N@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449339	1	53	0.0	-71.77	428.76	2.82	-68.95
CC1=C[NH+]=CN1CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449356	1	48	0.0	-75.61	416.61	3.56	-72.05
C[N@@H+]1CCC(CC(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449366	0	53	0.0	-74.89	432.61	2.85	-72.04
C[N@H+]1CCC(CC(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449366	1	53	0.0	-78.53	433.26	2.83	-75.70
CCC(C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025449369	0	52	0.0	-73.14	417.49	2.21	-70.93
C[NH+](C)CCCCC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449383	0	55	0.0	-78.44	452.21	3.36	-75.08
CC(C)C(C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025449387	0	55	0.0	-72.38	430.45	2.74	-69.64
CCC[N@H+](C)CCC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449388	0	55	0.0	-74.47	447.20	3.22	-71.25
CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449388	1	55	0.0	-78.09	448.44	3.18	-74.91
CCC[N@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449389	0	52	0.0	-75.91	426.08	2.62	-73.29
CCC[N@@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449389	1	52	0.0	-75.91	426.07	2.63	-73.28
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449404	0	50	0.0	-74.14	406.85	1.76	-72.38
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449404	1	50	0.0	-68.61	410.16	2.29	-66.32
CC[NH+](CC)CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449416	0	52	0.0	-74.22	418.43	2.29	-71.93
C[NH+](C)CC1(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025449470	0	53	0.0	-80.85	433.68	3.10	-77.75
C[NH+]1CCC(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025449494	0	53	0.0	-79.73	431.43	2.88	-76.85
CC(C)[C@H](C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025449509	0	55	0.0	-73.39	430.43	2.75	-70.64
CC[N@H+](C)CCC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449537	0	52	0.0	-73.73	425.70	2.48	-71.25
CC[N@@H+](C)CCC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449537	1	52	0.0	-77.29	426.94	2.42	-74.87
CC1CCC[N@@H+]1CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449548	0	53	0.0	-69.11	424.23	2.66	-66.45
CC1CCC[N@H+]1CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449548	1	53	0.0	-72.40	425.54	2.61	-69.79
CC1CC[N@H+](CC(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449549	0	53	0.0	-74.70	432.18	2.90	-71.80
CC1CC[N@@H+](CC(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449549	1	53	0.0	-74.93	432.18	2.91	-72.02
CC[C@@H](C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025449551	0	52	0.0	-70.20	415.72	2.29	-67.91
C[NH+](C)CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449588	0	46	0.0	-76.09	386.85	1.21	-74.88
CN1C=C[N+](CC(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300025449589	0	48	0.0	-71.13	416.84	4.77	-66.36
C[N@@H+]1CCCC(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449592	0	53	0.0	-68.67	425.17	3.05	-65.62
C[N@H+]1CCCC(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449592	1	53	0.0	-76.44	431.38	2.85	-73.59
CC(C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025449600	1	50	0.0	-73.40	414.96	2.29	-71.11
C[NH+](C)CC(C)(C)C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449603	0	55	0.0	-67.47	434.09	3.10	-64.37
C[N@H+](CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025449610	0	50	0.0	-72.82	416.13	2.62	-70.20
C[N@@H+](CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025449610	1	50	0.0	-73.53	416.27	2.62	-70.91
C[NH+]1CC(CC(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449621	0	50	0.0	-76.28	417.97	1.96	-74.32
C[C@@H](C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025449633	0	49	0.0	-74.68	404.72	1.64	-73.04
[N-]=[N+]=NCC(=O)NC1CC2(C1)CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025449640	0	40	0.0	-24.62	362.04	-3.17	-27.79
C[N@H+](CCO)CCC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449672	0	53	0.0	-76.86	437.29	-0.79	-77.65
C[N@@H+](CCO)CCC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449672	1	53	0.0	-73.08	436.03	-0.76	-73.84
C[C@@H](C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025449673	0	49	0.0	-74.68	404.72	1.64	-73.04
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449676	0	53	0.0	-72.82	419.47	2.64	-70.18
C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449676	1	53	0.0	-70.71	428.83	2.78	-67.93
O=C(C[NH+]1CCC1)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449703	1	47	0.0	-75.82	396.92	1.65	-74.17
C[N@@H+]1CCC(=CC(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449713	0	51	0.0	-77.64	424.78	2.75	-74.89
C[N@H+]1CCC(=CC(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449713	1	51	0.0	-78.67	425.72	2.75	-75.92
C[NH+](C)CCOCC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449723	0	53	0.0	-75.37	442.71	2.27	-73.10
C[C@H](C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025449734	0	49	0.0	-73.76	404.96	1.65	-72.11
CC1C[NH+](CC(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449751	1	50	0.0	-75.90	417.88	2.31	-73.59
C[N@H+](CCO)CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449764	1	50	0.0	-76.74	414.93	-1.36	-78.10
C[N@@H+](CCO)CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449764	1	50	0.0	-76.01	414.71	-1.36	-77.37
CC(CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025449776	0	55	0.0	-77.59	444.14	3.22	-74.37
CC[N@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449778	0	49	0.0	-75.43	404.58	1.88	-73.55
CC[N@@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449778	1	49	0.0	-75.56	404.57	1.88	-73.68
CC[N@H+](CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025449788	0	53	0.0	-74.18	428.11	2.78	-71.40
CC[N@@H+](CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025449788	1	53	0.0	-72.23	431.78	2.97	-69.26
CC[NH+](CC)CCC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449794	0	55	0.0	-76.63	440.44	2.85	-73.78
CC1(C)C[NH+](CC(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025449802	1	53	0.0	-76.11	437.38	2.85	-73.26
C[NH+](C)CC=CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449809	0	50	0.0	-80.34	422.81	2.44	-77.90
COCC[N@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449818	1	53	0.0	-75.78	436.96	1.04	-74.74
COCC[N@@H+](C)CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449818	1	53	0.0	-77.03	437.18	1.05	-75.98
CC(CCC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025449827	0	55	0.0	-78.94	440.19	2.95	-75.99
CC[N@@H+]1CCC1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449831	1	50	0.0	-69.91	409.50	2.11	-67.80
CC[N@H+]1CCC1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449831	1	50	0.0	-73.93	411.42	1.85	-72.08
C=CCC(C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025449856	0	53	0.0	-72.90	430.51	2.70	-70.20
O=C(C[NH+]1CC2CC2C1)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449864	0	51	0.0	-76.03	422.45	3.09	-72.94
CCCC(C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025449870	0	55	0.0	-74.43	438.75	3.00	-71.43
C[NH+](C)C(C)(C)C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449872	0	52	0.0	-79.53	414.33	2.38	-77.15
C[N@@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449882	0	53	0.0	-68.02	427.45	2.87	-65.15
C[N@H+]1CCCCC1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449882	1	53	0.0	-71.77	428.76	2.82	-68.95
C[NH+](C)C1(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025449919	0	50	0.0	-77.96	415.35	2.59	-75.37
O=C(CC[NH+]1CCCC1)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449920	0	53	0.0	-73.34	433.94	3.00	-70.34
C[N@@H+]1CC2CC1(C(=O)NC1CC3(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025449930	0	51	0.0	-76.59	418.94	2.38	-74.21
C[N@H+]1CC2CC1(C(=O)NC1CC3(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025449930	1	51	0.0	-72.98	418.03	2.34	-70.64
CC(C[NH+](C)C)C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449966	0	52	0.0	-76.80	425.23	2.49	-74.31
CC(C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300025449989	0	53	0.0	-73.06	435.77	2.91	-70.15
CC1CC[N@@H+]1CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449990	1	50	0.0	-73.48	413.19	2.11	-71.37
CC1CC[N@H+]1CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449990	1	50	0.0	-73.70	412.62	2.04	-71.66
C[NH+](C)CC(O)CC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025449992	0	53	0.0	-80.68	439.55	0.20	-80.48
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025450022	0	53	0.0	-70.90	434.82	2.95	-67.95
CC(CC[NH+](C)C)C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025450023	0	55	0.0	-76.81	446.90	3.11	-73.70
C[N@@H+]1CCCC1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450193	0	50	0.0	-69.93	404.18	1.71	-68.22
C[N@H+]1CCCC1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450193	1	50	0.0	-67.68	412.45	2.12	-65.56
C[N@@H+]1CCOC(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025450219	1	51	0.0	-75.04	415.00	1.34	-73.70
C[N@H+]1CCOC(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025450219	1	51	0.0	-80.81	420.23	1.58	-79.23
C[N@@H+]1CCC(CC(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025450369	0	53	0.0	-72.70	431.89	2.78	-69.92
C[N@H+]1CCC(CC(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025450369	1	53	0.0	-73.85	434.06	2.76	-71.09
CCC(C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025450372	0	52	0.0	-73.00	416.94	2.33	-70.67
C[NH+](C)CCCCC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450382	0	55	0.0	-73.17	450.48	3.35	-69.82
CC(C)C(C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025450387	0	55	0.0	-70.77	428.96	2.70	-68.07
CCC[N@H+](C)CCC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450388	0	55	0.0	-76.61	447.20	3.21	-73.40
CCC[N@@H+](C)CCC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450388	1	55	0.0	-76.70	447.19	3.21	-73.49
CCC[N@H+](C)CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450389	0	52	0.0	-70.82	426.12	2.58	-68.24
CCC[N@@H+](C)CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450389	1	52	0.0	-70.84	426.12	2.59	-68.25
C[NH+](C)CC1(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025450428	0	53	0.0	-72.60	433.89	2.81	-69.79
CC[N@H+](C)CCC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450434	0	52	0.0	-75.80	425.70	2.47	-73.33
CC[N@@H+](C)CCC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450434	1	52	0.0	-75.93	425.70	2.47	-73.46
C[NH+]1CCC(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025450458	0	53	0.0	-76.14	429.14	2.62	-73.52
CC(C)[C@H](C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025450473	0	55	0.0	-69.39	430.15	2.94	-66.45
C[NH+](C)C1(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)CCC1	REAL300025450497	0	53	0.0	-78.94	416.97	2.40	-76.54
CC1CCC[N@@H+]1CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450522	0	53	0.0	-71.37	432.10	2.96	-68.41
CC1CCC[N@H+]1CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450522	1	53	0.0	-70.78	425.47	2.55	-68.23
CC(C)[C@@H](C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025450533	0	55	0.0	-68.90	428.56	2.90	-66.00
CC1CC[N@H+](CC(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025450541	0	53	0.0	-72.91	432.22	2.86	-70.05
CC1CC[N@@H+](CC(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025450541	1	53	0.0	-73.11	432.19	2.87	-70.24
CC[C@@H](C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025450543	0	52	0.0	-69.53	417.86	2.29	-67.24
CC1=[NH+]C=CN1CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450582	1	48	0.0	-68.33	415.29	2.75	-65.58
CC1=C[NH+]=CN1CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450600	1	48	0.0	-70.87	416.65	3.51	-67.36
C[C@@H]1[C@H](C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025450601	0	53	0.0	-78.68	423.21	2.14	-76.54
C[C@@H]1[C@H](C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025450601	1	53	0.0	-72.29	428.27	2.69	-69.60
C[N@H+](CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300025450633	0	53	0.0	-68.60	432.97	3.16	-65.44
C[N@@H+](CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300025450633	1	53	0.0	-68.96	433.12	3.17	-65.79
C[NH+]1CCC(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025450640	0	53	0.0	-76.14	429.14	2.62	-73.52
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450653	0	50	0.0	-69.92	404.16	1.70	-68.22
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450653	1	50	0.0	-71.70	408.20	2.09	-69.61
C[N@@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450696	0	53	0.0	-70.11	428.10	2.76	-67.35
C[N@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450696	1	53	0.0	-67.67	428.33	2.74	-64.93
CC1C(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025450725	0	53	0.0	-72.13	430.75	2.46	-69.67
CC1C(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025450725	1	53	0.0	-68.97	427.13	2.85	-66.12
C[C@@H](C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025450766	0	49	0.0	-69.57	405.31	1.59	-67.98
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)CC[NH+]1CCCC1)C2	REAL300025450784	0	53	0.0	-75.30	433.93	2.98	-72.32
C[N@H+](CCO)CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450789	1	50	0.0	-71.50	414.97	-1.40	-72.90
C[N@@H+](CCO)CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450789	1	50	0.0	-71.14	414.75	-1.40	-72.54
CC1C[NH+](CC(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025450835	1	50	0.0	-71.37	416.96	2.33	-69.04
CC[N@H+](C)CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450869	0	49	0.0	-70.46	404.62	1.85	-68.61
CC[N@@H+](C)CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450869	1	49	0.0	-70.41	404.62	1.85	-68.56
COCC[N@H+](C)CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450922	1	53	0.0	-70.91	437.01	1.01	-69.90
COCC[N@@H+](C)CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450922	1	53	0.0	-71.60	437.23	1.01	-70.59
CC(CCC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025450924	0	55	0.0	-78.90	439.25	2.98	-75.92
CC[N@H+](CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025450929	0	53	0.0	-66.93	433.70	3.25	-63.68
CC[N@@H+](CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025450929	1	53	0.0	-68.55	426.48	3.12	-65.43
C[N@@H+]1CC2CC1(C(=O)N1CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C1)C2	REAL300025450942	0	51	0.0	-79.97	415.68	2.37	-77.60
C[N@H+]1CC2CC1(C(=O)N1CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C1)C2	REAL300025450942	1	51	0.0	-78.42	411.97	2.31	-76.11
CC(C[NH+](C)C)C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450951	0	52	0.0	-75.88	421.37	2.28	-73.60
C[NH+](C)C1(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025450957	0	50	0.0	-72.49	410.94	2.07	-70.42
C[C@H](C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025450967	0	49	0.0	-69.43	402.82	1.59	-67.84
CC[N@@H+]1CCC1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450970	1	50	0.0	-68.29	409.43	1.93	-66.36
CC[N@H+]1CCC1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450970	1	50	0.0	-67.74	410.49	1.81	-65.93
NC1=CC=[NH+]C=C1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450985	0	46	0.0	-72.22	393.58	-0.80	-73.02
CCCC(C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025450989	0	55	0.0	-69.46	439.27	3.12	-66.34
C[NH+](C)C(C)(C)C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025450992	0	52	0.0	-77.84	406.95	2.25	-75.59
CC(CC[NH+](C)C)C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451001	0	55	0.0	-76.10	442.98	2.90	-73.20
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C[NH+]1CC3CC3C1)C2	REAL300025451061	0	51	0.0	-70.53	422.48	3.03	-67.50
C[N@@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451071	0	53	0.0	-70.11	428.10	2.76	-67.35
C[N@H+]1CCCCC1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451071	1	53	0.0	-67.67	428.33	2.74	-64.93
C[N@@H+]1CCC(=CC(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025451099	0	51	0.0	-74.63	422.81	2.77	-71.86
C[N@H+]1CCC(=CC(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025451099	1	51	0.0	-75.75	425.60	2.70	-73.05
[N-]=[N+]=NCC(=O)N1CC2(CC(NC(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025451106	0	40	0.0	-27.37	363.81	-3.21	-30.58
CCC1C[NH+](CC(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025451122	1	53	0.0	-71.78	439.44	3.06	-68.72
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451127	0	50	0.0	-67.94	407.93	2.14	-65.80
C[N@H+]1CCC[C@H]1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451127	1	50	0.0	-72.42	405.85	1.67	-70.75
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025451170	0	53	0.0	-75.37	436.37	2.92	-72.45
C[NH+](C)CCOCC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451187	0	53	0.0	-75.31	441.47	2.35	-72.96
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C[NH+]1CCCCC1)C2	REAL300025451221	0	53	0.0	-70.11	428.63	3.03	-67.08
C[N@@H+]1CCCC(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025451222	0	53	0.0	-78.23	432.20	2.72	-75.51
C[N@H+]1CCCC(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025451222	1	53	0.0	-72.32	426.89	2.57	-69.75
CN1C=C[N+](CC(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)=C1	REAL300025451223	0	48	0.0	-70.97	416.84	4.75	-66.22
C[N@H+](CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025451233	0	50	0.0	-67.78	414.38	2.64	-65.14
C[N@@H+](CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025451233	1	50	0.0	-70.74	415.02	2.65	-68.09
CC(CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C[NH+](C)C	REAL300025451241	0	55	0.0	-76.85	442.79	3.26	-73.59
C[NH+]1CC(CC(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025451291	0	50	0.0	-74.83	417.04	2.07	-72.76
C[NH+](C)CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451298	0	46	0.0	-73.78	385.60	1.24	-72.54
C[N@H+](CCO)CCC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451308	0	53	0.0	-75.91	436.05	-0.74	-76.65
C[N@@H+](CCO)CCC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451308	1	53	0.0	-75.03	436.01	-0.75	-75.78
C[C@@H](C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025451309	0	49	0.0	-69.57	405.31	1.59	-67.98
CC(C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CC(C)C1	REAL300025451323	0	53	0.0	-71.58	430.68	2.74	-68.84
CC1CC[N@@H+]1CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451324	1	50	0.0	-68.79	412.67	1.98	-66.81
CC1CC[N@H+]1CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451324	1	50	0.0	-67.89	416.81	2.33	-65.56
C[NH+](C)CC=CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451326	0	50	0.0	-79.19	421.32	2.44	-76.75
CC1(C)C[NH+](CC(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025451330	1	53	0.0	-73.72	435.89	2.83	-70.89
CC[NH+](CC)CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451346	0	52	0.0	-71.89	421.71	2.59	-69.30
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C[NH+]1CCC1)C2	REAL300025451351	1	47	0.0	-70.81	395.21	1.65	-69.16
CC[NH+](CC)CCC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451371	0	55	0.0	-75.42	439.21	2.90	-72.52
CC(C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025451400	1	50	0.0	-68.62	412.23	1.98	-66.64
C[NH+](C)CC(C)(C)C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451404	0	55	0.0	-75.61	428.45	2.46	-73.15
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451425	0	53	0.0	-68.69	417.26	2.35	-66.34
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451425	1	53	0.0	-67.60	426.51	2.80	-64.80
C[NH+](C)CC(O)CC(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025451435	0	53	0.0	-75.77	437.71	0.28	-75.49
C=CCC(C(=O)N1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025451447	0	53	0.0	-69.18	428.84	2.70	-66.48
NC(=[NH2+])SCC(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025451470	0	44	0.0	-78.12	394.77	-1.83	-79.95
CCC1C[NH+](CC(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025451530	1	53	0.0	-76.98	439.25	3.04	-73.94
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025451534	0	50	0.0	-72.80	413.11	2.29	-70.51
C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025451534	1	50	0.0	-73.93	406.84	1.77	-72.16
O=C(C[NH+]1CCCCC1)NC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025451541	0	53	0.0	-71.93	427.33	3.13	-68.80
CC1C(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025451545	0	53	0.0	-69.40	426.25	2.46	-66.94
CC1C(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025451545	1	53	0.0	-73.97	428.04	2.44	-71.53
CC1CCN(C(=O)C2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025451756	0	52	0.0	-61.20	399.90	3.90	-57.30
CC1CCN(C(=O)C2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025451756	1	52	0.0	-70.37	392.06	3.46	-66.91
CC1CCN(C(=O)C2C[N@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025451780	1	53	0.0	-75.78	399.34	3.44	-72.34
CC1CCN(C(=O)C2C[N@@H+](C)CCO2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025451780	1	53	0.0	-76.68	398.21	3.33	-73.35
CC1=[NH+]C=CN1CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025451919	1	50	0.0	-65.31	402.85	4.57	-60.74
C[C@@H]1[C@H](C(=O)N2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025451937	0	55	0.0	-75.22	408.93	4.31	-70.91
C[C@@H]1[C@H](C(=O)N2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025451937	1	55	0.0	-70.79	413.69	4.21	-66.58
CC1CCN(C(=O)C2([NH+](C)C)CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025451957	0	55	0.0	-66.07	375.17	3.20	-62.87
CC(C)[C@@H](C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025451959	0	57	0.0	-72.92	417.13	5.12	-67.80
CC1CCN(C(=O)C[N@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025451968	0	55	0.0	-73.28	423.61	5.37	-67.91
CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025451968	1	55	0.0	-72.66	423.47	5.36	-67.30
CC1CCN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025451992	0	55	0.0	-75.69	415.72	4.51	-71.18
CC1CCN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025451998	0	55	0.0	-60.55	415.11	4.58	-55.97
CC1CCN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025451998	1	55	0.0	-57.07	407.20	4.36	-52.71
CC1=C[NH+]=CN1CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452015	1	50	0.0	-73.93	407.14	5.72	-68.21
CC1CCN(C(=O)CC2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452025	0	55	0.0	-75.21	422.86	5.03	-70.18
CC1CCN(C(=O)CC2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452025	1	55	0.0	-71.58	419.81	4.60	-66.98
CCC(C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025452028	0	54	0.0	-62.90	403.02	4.01	-58.89
CC1CCN(C(=O)CCCC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452042	0	57	0.0	-68.88	438.74	5.14	-63.74
CC(C)C(C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025452045	0	57	0.0	-57.35	410.74	4.39	-52.96
CCC[N@H+](C)CCC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452046	0	57	0.0	-69.37	434.96	4.96	-64.41
CCC[N@@H+](C)CCC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452046	1	57	0.0	-68.87	434.97	4.98	-63.89
CCC[N@H+](C)CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452047	0	54	0.0	-75.28	416.60	4.78	-70.50
CCC[N@@H+](C)CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452047	1	54	0.0	-75.39	416.61	4.79	-70.60
CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452062	0	52	0.0	-68.94	400.70	4.18	-64.76
CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452062	1	52	0.0	-73.69	394.12	3.89	-69.80
CC[NH+](CC)CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452074	0	54	0.0	-65.87	403.49	3.99	-61.88
CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452128	0	55	0.0	-73.12	420.12	5.04	-68.08
CC1CCN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452150	0	55	0.0	-75.69	415.72	4.51	-71.18
CC(C)[C@H](C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025452165	0	57	0.0	-60.95	418.93	4.65	-56.30
CC[N@H+](C)CCC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452192	0	54	0.0	-68.61	413.47	4.22	-64.39
CC[N@@H+](C)CCC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452192	1	54	0.0	-68.18	413.47	4.24	-63.94
CC1CCC[N@@H+]1CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452202	0	55	0.0	-63.79	412.16	4.37	-59.42
CC1CCC[N@H+]1CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452202	1	55	0.0	-71.37	415.45	4.77	-66.60
CC1CC[N@H+](CC(=O)N2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025452203	0	55	0.0	-74.16	422.10	5.06	-69.10
CC1CC[N@@H+](CC(=O)N2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025452203	1	55	0.0	-67.09	418.66	4.70	-62.39
CC[C@@H](C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025452205	0	54	0.0	-70.26	397.67	3.84	-66.42
CC1CCN(C(=O)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452241	0	48	0.0	-67.53	373.39	2.96	-64.57
CC1CCN(C(=O)C[N+]2=CN(C)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452242	0	50	0.0	-71.87	408.61	6.89	-64.98
CC1CCN(C(=O)C2CCC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452245	0	55	0.0	-67.16	411.86	5.05	-62.11
CC1CCN(C(=O)C2CCC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452245	1	55	0.0	-73.87	413.23	4.65	-69.22
CC(C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025452252	1	52	0.0	-63.34	399.81	3.85	-59.49
CC1CCN(C(=O)C(C)(C)C[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452255	0	57	0.0	-66.56	412.02	4.15	-62.41
CC1CCN(C(=O)C[N@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452262	0	52	0.0	-72.74	406.80	4.79	-67.95
CC1CCN(C(=O)C[N@@H+](C)C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452262	1	52	0.0	-63.68	402.66	4.38	-59.30
CC1CCN(C(=O)CC2C[NH+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452273	0	52	0.0	-69.92	404.81	3.82	-66.10
C[C@@H](C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025452285	0	51	0.0	-73.18	391.87	3.68	-69.50
CC1CCN(C(=O)CN=[N+]=[N-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300025452292	0	42	0.0	-24.94	354.35	-1.02	-25.96
C[C@@H](C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025452323	0	51	0.0	-73.18	391.87	3.68	-69.50
CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452326	0	55	0.0	-60.56	415.10	4.59	-55.97
CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452326	1	55	0.0	-70.90	402.24	4.19	-66.71
CC1CCN(C(=O)C[NH+]2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452353	1	49	0.0	-67.30	383.52	3.44	-63.86
CC1CCN(C(=O)C=C2CC[N@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452362	0	53	0.0	-76.45	415.04	4.95	-71.50
CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452362	1	53	0.0	-76.61	415.11	4.95	-71.66
C[C@H](C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025452380	0	51	0.0	-63.34	389.91	3.42	-59.92
CC1C[NH+](CC(=O)N2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025452396	1	52	0.0	-66.34	403.55	4.17	-62.17
CC1CCN(C(=O)C[N@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452409	1	52	0.0	-75.93	405.46	0.81	-75.12
CC1CCN(C(=O)C[N@@H+](C)CCO)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452409	1	52	0.0	-74.96	405.50	0.81	-74.15
CC(CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)C[NH+](C)C	REAL300025452421	0	57	0.0	-69.06	430.56	5.01	-64.05
CC[N@H+](C)CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452423	0	51	0.0	-74.90	395.11	4.04	-70.86
CC[N@@H+](C)CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452423	1	51	0.0	-75.00	395.11	4.05	-70.95
CC[N@H+](CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025452433	0	55	0.0	-62.68	422.21	4.98	-57.70
CC[N@@H+](CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025452433	1	55	0.0	-63.16	419.20	4.96	-58.20
CC[NH+](CC)CCC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452439	0	57	0.0	-75.33	434.76	5.35	-69.98
CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452447	1	55	0.0	-67.63	423.92	4.54	-63.09
CC1CCN(C(=O)C=CC[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452454	0	52	0.0	-72.59	410.24	4.27	-68.32
CC(CCC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025452471	0	57	0.0	-73.97	426.82	4.76	-69.21
CC[N@@H+]1CCC1C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452475	1	52	0.0	-71.90	400.73	4.10	-67.80
CC[N@H+]1CCC1C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452475	1	52	0.0	-66.70	403.22	3.91	-62.79
C=CCC(C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025452496	0	55	0.0	-61.76	416.29	4.53	-57.23
CC1CCN(C(=O)C[NH+]2CC3CC3C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452504	0	53	0.0	-75.28	412.70	5.25	-70.03
CCCC(C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025452509	0	57	0.0	-62.05	423.45	4.76	-57.29
CC1CCN(C(=O)C(C)(C)[NH+](C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452511	0	54	0.0	-63.37	384.72	3.02	-60.35
CC1CCN(C(=O)C2CCCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452521	0	55	0.0	-60.55	415.11	4.58	-55.97
CC1CCN(C(=O)C2CCCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452521	1	55	0.0	-57.07	407.20	4.36	-52.71
CC1CCN(C(=O)C2([NH+](C)C)CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452557	0	52	0.0	-75.71	387.89	3.18	-72.53
CC1CCN(C(=O)CC[NH+]2CCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452558	0	55	0.0	-68.68	421.71	4.72	-63.96
CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452568	0	53	0.0	-71.61	401.34	4.25	-67.36
CC1CCN(C(=O)C23CC(C2)C[N@H+]3C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452568	1	53	0.0	-66.26	380.22	3.75	-62.51
CC(C[NH+](C)C)C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452603	0	54	0.0	-70.19	406.04	3.97	-66.22
CC(C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CC(C)C1	REAL300025452623	0	55	0.0	-66.99	418.36	4.36	-62.63
CC1CC[N@@H+]1CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452624	1	52	0.0	-72.46	403.18	4.20	-68.26
CC1CC[N@H+]1CC(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452624	1	52	0.0	-72.45	402.53	4.19	-68.26
CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452655	0	55	0.0	-72.73	421.60	4.67	-68.06
CC(CC[NH+](C)C)C(=O)N1CCC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025452656	0	57	0.0	-70.71	427.61	4.56	-66.15
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+]1C	REAL300025452825	0	52	0.0	-58.25	397.10	3.85	-54.40
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+]1C	REAL300025452825	1	52	0.0	-61.45	395.34	3.77	-57.68
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@H+](C)C1	REAL300025452999	0	55	0.0	-75.25	424.16	5.03	-70.22
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1CC[N@@H+](C)C1	REAL300025452999	1	55	0.0	-76.21	423.54	4.98	-71.23
CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025453002	0	54	0.0	-56.79	400.27	3.83	-52.96
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCCC[NH+](C)C	REAL300025453011	0	57	0.0	-75.44	442.11	5.56	-69.88
CCC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453014	0	57	0.0	-62.06	434.98	4.97	-57.09
CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453014	1	57	0.0	-77.06	438.87	5.41	-71.65
CCC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453015	0	54	0.0	-76.10	415.98	4.80	-71.30
CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453015	1	54	0.0	-75.58	416.52	4.81	-70.77
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1(C[NH+](C)C)CC1	REAL300025453045	0	55	0.0	-74.05	422.05	4.84	-69.21
CC[N@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453050	0	54	0.0	-76.39	417.47	4.66	-71.73
CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453050	1	54	0.0	-76.22	417.38	4.67	-71.55
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025453065	0	55	0.0	-76.74	420.63	4.96	-71.78
CC1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453103	0	55	0.0	-72.18	415.43	4.78	-67.40
CC1CCC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453103	1	55	0.0	-58.89	418.59	4.73	-54.16
CC1CC[N@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)C1	REAL300025453118	0	55	0.0	-59.48	419.63	4.61	-54.87
CC1CC[N@@H+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)C1	REAL300025453118	1	55	0.0	-75.04	422.09	5.06	-69.98
CC[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025453120	0	54	0.0	-55.58	399.86	3.83	-51.75
CC1=[NH+]C=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453154	1	50	0.0	-70.48	406.72	4.99	-65.49
CC1=C[NH+]=CN1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453169	1	50	0.0	-73.95	407.05	5.72	-68.23
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)CC[N@@H+]1C	REAL300025453170	0	55	0.0	-74.67	412.25	4.77	-69.90
C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)CC[N@H+]1C	REAL300025453170	1	55	0.0	-74.22	416.43	4.87	-69.35
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CCC1	REAL300025453193	0	55	0.0	-73.49	423.53	5.38	-68.11
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CCC1	REAL300025453193	1	55	0.0	-73.03	423.38	5.37	-67.66
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CC[NH+](C)CC1	REAL300025453199	0	55	0.0	-76.74	420.63	4.96	-71.78
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300025453209	0	52	0.0	-57.77	390.58	3.61	-54.16
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCC[N@H+]1C	REAL300025453209	1	52	0.0	-72.04	394.31	3.89	-68.15
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)CC[N@@H+]1C	REAL300025453269	0	55	0.0	-74.68	412.37	4.55	-70.13
CC1C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)CC[N@H+]1C	REAL300025453269	1	55	0.0	-53.43	408.65	3.99	-49.44
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025453303	0	51	0.0	-73.67	392.31	3.68	-69.99
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC[NH+]1CCCC1	REAL300025453321	0	55	0.0	-75.78	425.71	5.16	-70.62
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)CCO	REAL300025453326	1	52	0.0	-76.13	405.37	0.82	-75.31
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)CCO	REAL300025453326	1	52	0.0	-75.66	404.88	0.82	-74.84
CC1C[NH+](CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C)C1	REAL300025453365	1	52	0.0	-60.28	403.50	4.15	-56.13
CC[N@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453390	0	51	0.0	-75.14	395.01	4.06	-71.08
CC[N@@H+](C)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453390	1	51	0.0	-75.15	395.02	4.06	-71.09
CC(CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025453435	0	57	0.0	-78.82	430.09	5.14	-73.68
CC[N@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)C1CC1	REAL300025453439	0	55	0.0	-71.43	426.15	5.43	-66.00
CC[N@@H+](CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)C1CC1	REAL300025453439	1	55	0.0	-72.11	423.20	5.42	-66.69
CC(C[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453458	0	54	0.0	-64.48	405.74	4.00	-60.48
C[C@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025453470	0	51	0.0	-60.18	386.77	3.26	-56.92
CC[N@@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453473	1	52	0.0	-58.17	400.29	3.76	-54.41
CC[N@H+]1CCC1C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453473	1	52	0.0	-73.71	406.49	4.31	-69.40
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[NH+]=CC=C1N	REAL300025453483	0	48	0.0	-60.31	383.75	0.90	-59.41
CCCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025453487	0	57	0.0	-57.07	422.12	4.63	-52.44
CC(CC[NH+](C)C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453497	0	57	0.0	-65.29	427.68	4.55	-60.74
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC2CC2C1	REAL300025453553	0	53	0.0	-75.57	412.71	5.26	-70.31
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@@H+]1C	REAL300025453560	0	55	0.0	-74.76	406.16	4.50	-70.26
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCCC[N@H+]1C	REAL300025453560	1	55	0.0	-75.16	405.30	4.50	-70.66
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@H+](C)C1	REAL300025453579	0	53	0.0	-76.78	413.84	5.00	-71.78
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=C1CC[N@@H+](C)C1	REAL300025453579	1	53	0.0	-76.36	415.03	4.96	-71.40
CC1CCN(C(=O)CSC2=NC(=O)NN2)CCN1C(=O)CN=[N+]=[N-]	REAL300025453584	0	42	0.0	-24.70	353.71	-1.01	-25.71
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025453597	0	52	0.0	-63.86	390.76	3.46	-60.40
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300025453597	1	52	0.0	-58.06	396.01	3.72	-54.34
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025453633	0	55	0.0	-75.52	421.66	4.97	-70.55
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCCCC1	REAL300025453667	0	55	0.0	-74.91	419.00	5.25	-69.66
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@H+](C)C1	REAL300025453668	0	55	0.0	-60.94	413.60	4.31	-56.63
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1CCC[N@@H+](C)C1	REAL300025453668	1	55	0.0	-67.53	409.75	5.11	-62.42
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N+]1=CN(C)C=C1	REAL300025453669	0	50	0.0	-72.30	407.98	6.90	-65.40
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@H+](C)C1CC1	REAL300025453678	0	52	0.0	-58.64	402.91	4.38	-54.26
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[N@@H+](C)C1CC1	REAL300025453678	1	52	0.0	-72.05	406.55	4.80	-67.25
CC(CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)C[NH+](C)C	REAL300025453686	0	57	0.0	-75.95	433.94	5.43	-70.52
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1C[NH+](C)C1	REAL300025453726	0	52	0.0	-58.46	404.79	3.87	-54.59
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+](C)C	REAL300025453733	0	48	0.0	-76.36	376.75	3.39	-72.97
C[C@@H](C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025453741	0	51	0.0	-73.67	392.31	3.68	-69.99
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+]1CC(C)C1	REAL300025453751	0	55	0.0	-71.83	422.75	4.85	-66.98
CC1CC[N@@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453752	1	52	0.0	-73.48	402.53	4.21	-69.27
CC1CC[N@H+]1CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453752	1	52	0.0	-59.14	399.76	3.85	-55.29
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C=CC[NH+](C)C	REAL300025453753	0	52	0.0	-77.66	412.12	4.63	-73.03
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CC(C)(C)C1	REAL300025453756	1	55	0.0	-75.88	427.31	5.00	-70.88
CC[NH+](CC)CC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453769	0	54	0.0	-74.02	408.30	4.47	-69.55
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC1	REAL300025453774	1	49	0.0	-59.14	383.67	3.47	-55.67
CC[NH+](CC)CCC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C	REAL300025453788	0	57	0.0	-59.16	430.87	4.96	-54.20
CC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+]1CCC1	REAL300025453809	1	52	0.0	-72.85	401.53	4.23	-68.62
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025453827	0	55	0.0	-62.44	411.04	4.41	-58.03
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300025453827	1	55	0.0	-75.18	405.26	4.50	-70.68
C=CCC(C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1C)[NH+](C)C	REAL300025453843	0	55	0.0	-56.25	413.08	4.31	-51.94
CC1CCN(C(=O)CSC(N)=[NH2+])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025453863	0	46	0.0	-68.69	381.91	-0.08	-68.77
CCC1C[NH+](CC(=O)N2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025453918	0	55	0.0	-68.29	426.09	4.82	-63.47
CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025453922	0	52	0.0	-58.21	392.59	3.54	-54.67
CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025453922	1	52	0.0	-70.08	392.62	3.92	-66.16
CC1CCN(C(=O)C[NH+]2CCCCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025453929	0	55	0.0	-74.68	419.10	5.24	-69.44
CC1C(C(=O)N2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@@H+]1C	REAL300025453933	0	55	0.0	-69.78	418.14	4.67	-65.11
CC1C(C(=O)N2CCC(C)N(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC[N@H+]1C	REAL300025453933	1	55	0.0	-70.61	408.59	4.19	-66.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC2CCC(C1)N2C(=O)C[NH+](C)C	REAL300025454080	0	52	0.0	-62.48	379.57	3.21	-59.27
C[C@@H](C(=O)N1C2CCC1CC(N(C)C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025454085	0	55	0.0	-74.22	393.95	3.41	-70.81
CN(C(=O)CSC1=NC(=O)NN1)C1CC2CCC(C1)N2C(=O)CN=[N+]=[N-]	REAL300025454088	0	46	0.0	-23.24	380.05	-0.70	-23.94
C[C@@H](C(=O)N1C2CCC1CC(N(C)C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025454098	0	55	0.0	-74.22	393.95	3.41	-70.81
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC2CCC(C1)N2C(=O)C[NH+]1CCC1	REAL300025454106	1	53	0.0	-62.56	389.82	3.56	-59.00
C[C@H](C(=O)N1C2CCC1CC(N(C)C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025454111	0	55	0.0	-73.66	388.42	3.21	-70.45
CC[N@H+](C)CC(=O)N1C2CCC1CC(N(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025454123	0	55	0.0	-61.79	397.39	3.78	-58.01
CC[N@@H+](C)CC(=O)N1C2CCC1CC(N(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025454123	1	55	0.0	-61.36	397.29	3.86	-57.50
C[C@@H](C(=O)N(C)C1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025454261	0	55	0.0	-68.87	418.28	4.00	-64.87
CC[N@H+](C)CC(=O)N(C)C1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025454279	0	55	0.0	-80.53	397.46	3.69	-76.84
CC[N@@H+](C)CC(=O)N(C)C1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025454279	1	55	0.0	-80.49	397.66	3.72	-76.77
C[C@H](C(=O)N(C)C1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025454288	0	55	0.0	-81.55	393.85	3.16	-78.39
CN(C(=O)CN=[N+]=[N-])C1CC2CCC(C1)N2C(=O)CSC1=NC(=O)NN1	REAL300025454310	0	46	0.0	-23.70	356.61	-1.27	-24.97
CN(C(=O)C[NH+](C)C)C1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025454335	0	52	0.0	-81.06	379.96	3.06	-78.00
C[C@@H](C(=O)N(C)C1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025454338	0	55	0.0	-68.87	418.28	4.00	-64.87
CN(C(=O)C[NH+]1CCC1)C1CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025454344	1	53	0.0	-82.41	389.88	3.66	-78.75
C=CCC1(NC(=O)C[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025454471	0	52	0.0	-71.27	408.00	3.19	-68.08
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025454476	0	55	0.0	-69.26	425.25	3.53	-65.73
C=CCC1(NC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025454479	0	46	0.0	-22.52	384.91	-1.23	-23.75
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025454486	0	55	0.0	-69.26	425.25	3.53	-65.73
C=CCC1(NC(=O)C[NH+]2CCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025454493	1	53	0.0	-71.46	418.28	3.65	-67.81
C=CCC1(NC(=O)[C@@H](C)[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025454498	0	55	0.0	-70.18	424.73	3.50	-66.68
C=CCC1(NC(=O)C[N@@H+](C)CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025454507	0	55	0.0	-70.70	425.68	3.84	-66.86
C=CCC1(NC(=O)C[N@H+](C)CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025454507	1	55	0.0	-70.48	425.67	3.84	-66.64
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300025454645	0	55	0.0	-65.69	423.66	3.41	-62.28
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@@H+](C)CC)CC1	REAL300025454664	0	55	0.0	-68.09	425.67	3.74	-64.35
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@H+](C)CC)CC1	REAL300025454664	1	55	0.0	-68.03	425.67	3.73	-64.30
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@@H](C)[NH+](C)C)CC1	REAL300025454677	0	55	0.0	-66.94	424.09	3.42	-63.52
C=CCC1(NC(=O)CSC2=NC(=O)NN2)CCN(C(=O)CN=[N+]=[N-])CC1	REAL300025454702	0	46	0.0	-22.13	384.92	-1.34	-23.47
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+](C)C)CC1	REAL300025454733	0	52	0.0	-69.03	407.95	3.06	-65.97
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@H](C)[NH+](C)C)CC1	REAL300025454736	0	55	0.0	-65.69	423.66	3.41	-62.28
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025454743	1	53	0.0	-77.76	418.36	3.54	-74.22
C[N@@H+]1CCCC1C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025454879	0	55	0.0	-69.76	438.87	3.28	-66.48
C[N@H+]1CCCC1C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025454879	1	55	0.0	-71.98	433.07	2.85	-69.13
CCC(C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025454979	0	57	0.0	-69.96	442.02	3.41	-66.55
CCC[N@H+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025454984	0	57	0.0	-73.89	453.16	3.71	-70.18
CCC[N@@H+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025454984	1	57	0.0	-73.77	453.16	3.72	-70.05
C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025454992	0	55	0.0	-74.12	433.19	2.86	-71.26
C[N@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025454992	1	55	0.0	-70.93	438.74	3.35	-67.58
CC[NH+](CC)CC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025454997	0	57	0.0	-71.83	448.52	3.64	-68.19
CC[N@H+](C)CCC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455053	0	57	0.0	-76.34	454.03	3.52	-72.82
CC[N@@H+](C)CCC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455053	1	57	0.0	-76.44	454.02	3.51	-72.93
CC[C@@H](C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025455056	0	57	0.0	-71.26	447.71	3.93	-67.33
C[NH+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455074	0	51	0.0	-74.21	413.93	2.30	-71.91
CC(C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025455078	1	55	0.0	-72.88	444.18	3.28	-69.60
C[N@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025455084	0	55	0.0	-70.86	443.21	3.70	-67.16
C[N@@H+](CC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025455084	1	55	0.0	-71.29	443.33	3.71	-67.58
C[NH+]1CC(CC(=O)NCCC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025455090	0	55	0.0	-75.59	445.22	3.12	-72.47
C[C@@H](C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025455097	0	54	0.0	-71.51	430.59	2.73	-68.78
[N-]=[N+]=NCC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025455100	0	45	0.0	-25.37	390.89	-2.11	-27.48
C[C@@H](C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025455118	0	54	0.0	-71.51	430.59	2.73	-68.78
O=C(C[NH+]1CCC1)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455136	1	52	0.0	-74.26	424.22	2.76	-71.50
C[C@H](C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025455147	0	54	0.0	-73.06	431.66	2.69	-70.37
CC1C[NH+](CC(=O)NCCC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025455153	1	55	0.0	-74.20	445.22	3.40	-70.80
CC[N@H+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455170	0	54	0.0	-73.51	431.66	2.96	-70.55
CC[N@@H+](C)CC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455170	1	54	0.0	-73.47	431.66	2.97	-70.50
C[NH+](C)CC=CC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455186	0	55	0.0	-79.37	449.89	3.51	-75.86
CC[N@@H+]1CCC1C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455192	1	55	0.0	-72.00	438.45	3.01	-68.99
CC[N@H+]1CCC1C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455192	1	55	0.0	-72.85	444.83	3.34	-69.51
C[NH+](C)C(C)(C)C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455205	0	57	0.0	-78.93	441.39	3.45	-75.48
C[NH+](C)C1(C(=O)NCCC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025455227	0	55	0.0	-77.95	439.59	3.41	-74.54
CC(C[NH+](C)C)C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455249	0	57	0.0	-76.32	452.33	3.58	-72.74
CC1CC[N@@H+]1CC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455258	1	55	0.0	-72.92	445.28	3.37	-69.55
CC1CC[N@H+]1CC(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455258	1	55	0.0	-71.53	439.70	3.10	-68.43
C[N@@H+]1CCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455367	0	55	0.0	-71.98	432.61	2.72	-69.26
C[N@H+]1CCCC1C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455367	1	55	0.0	-70.31	432.65	2.73	-67.58
CCC(C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025455438	0	57	0.0	-68.72	440.69	3.12	-65.60
CCC[N@H+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455441	0	57	0.0	-71.94	452.41	3.66	-68.28
CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455441	1	57	0.0	-71.86	452.38	3.66	-68.20
CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455457	0	57	0.0	-74.22	453.24	3.50	-70.72
CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455457	1	57	0.0	-74.16	454.02	3.49	-70.67
CC[C@@H](C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025455482	0	57	0.0	-67.58	433.24	2.97	-64.61
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455519	0	55	0.0	-71.74	431.66	2.74	-69.00
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455519	1	55	0.0	-69.29	435.68	3.09	-66.20
C[C@@H](C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025455563	0	54	0.0	-67.77	419.43	2.28	-65.49
CC1C[NH+](CC(=O)N2CCC[C@@H]2CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025455587	1	55	0.0	-72.50	443.45	3.44	-69.06
CC[N@H+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455603	0	54	0.0	-71.50	430.90	2.92	-68.58
CC[N@@H+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455603	1	54	0.0	-71.28	431.36	2.88	-68.40
CC(C[NH+](C)C)C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455628	0	57	0.0	-70.13	442.67	3.11	-67.02
C[C@H](C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025455632	0	54	0.0	-70.54	430.33	2.63	-67.91
CC[N@@H+]1CCC1C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455635	0	55	0.0	-71.72	444.43	3.17	-68.55
CC[N@H+]1CCC1C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455635	1	55	0.0	-69.31	437.63	2.85	-66.46
[N-]=[N+]=NCC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NC(=O)NN1	REAL300025455682	0	45	0.0	-25.16	390.94	-2.14	-27.30
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455691	0	55	0.0	-69.00	434.89	3.11	-65.89
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455691	1	55	0.0	-70.13	432.83	2.75	-67.38
C[N@H+](CC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025455721	0	55	0.0	-68.84	442.42	3.65	-65.19
C[N@@H+](CC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025455721	1	55	0.0	-69.21	443.35	3.66	-65.55
C[NH+]1CC(CC(=O)N2CCC[C@@H]2CCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025455745	0	55	0.0	-72.99	445.42	3.08	-69.91
C[NH+](C)CC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455748	0	51	0.0	-72.20	413.20	2.25	-69.95
C[C@@H](C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025455751	0	54	0.0	-67.77	419.43	2.28	-65.49
CC1CC[N@@H+]1CC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455756	0	55	0.0	-70.84	445.24	3.33	-67.51
CC1CC[N@H+]1CC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455756	1	55	0.0	-69.63	439.70	3.05	-66.58
C[NH+](C)CC=CC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455757	0	55	0.0	-77.29	450.53	3.49	-73.80
CC[NH+](CC)CC(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025455763	0	57	0.0	-70.03	444.29	3.30	-66.73
O=C(CSC1=NNC(=O)[N-]1)NCCC[C@H]1CCCN1C(=O)C[NH+]1CCC1	REAL300025455764	1	52	0.0	-72.23	423.46	2.72	-69.51
CC(C(=O)N1CCC[C@@H]1CCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025455781	0	55	0.0	-69.63	437.75	3.00	-66.63
C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455840	0	55	0.0	-70.58	439.79	3.34	-67.24
C[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025455840	1	55	0.0	-72.31	433.67	2.81	-69.50
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025455962	0	55	0.0	-69.89	423.94	2.80	-67.09
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025455962	1	55	0.0	-72.54	423.91	2.79	-69.75
CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300025456062	0	57	0.0	-68.24	434.54	3.23	-65.01
CCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456067	0	57	0.0	-71.39	443.12	3.64	-67.75
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456067	1	57	0.0	-71.27	443.13	3.63	-67.64
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456075	0	55	0.0	-72.42	423.87	2.77	-69.65
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456075	1	55	0.0	-67.37	430.38	3.23	-64.14
CC[NH+](CC)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456080	0	57	0.0	-69.42	435.49	3.31	-66.11
CC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456136	0	57	0.0	-72.88	443.99	3.43	-69.45
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456136	1	57	0.0	-72.86	444.00	3.43	-69.43
CC[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300025456139	0	57	0.0	-68.82	434.31	3.22	-65.60
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456157	0	51	0.0	-71.22	403.90	2.23	-68.99
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+]1CCC1	REAL300025456161	1	55	0.0	-69.04	432.10	3.33	-65.71
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)C1CC1	REAL300025456167	0	55	0.0	-67.87	433.16	3.63	-64.24
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)C1CC1	REAL300025456167	1	55	0.0	-67.91	433.16	3.63	-64.28
C[NH+]1CC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC(C)(C)C2)C1	REAL300025456173	0	55	0.0	-72.09	435.34	3.05	-69.04
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300025456180	0	54	0.0	-68.94	421.79	2.65	-66.29
CC1(C)CC(NC(=O)CN=[N+]=[N-])CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025456183	0	45	0.0	-25.09	380.84	-2.18	-27.27
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300025456201	0	54	0.0	-68.94	421.79	2.65	-66.29
CC1(C)CC(NC(=O)C[NH+]2CCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025456219	1	52	0.0	-71.54	414.20	2.69	-68.85
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300025456230	0	54	0.0	-68.99	422.07	2.63	-66.36
CC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC(C)(C)C2)C1	REAL300025456236	1	55	0.0	-71.64	434.86	3.31	-68.33
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456253	0	54	0.0	-70.93	421.63	2.90	-68.03
CC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456253	1	54	0.0	-70.92	421.63	2.89	-68.03
C[NH+](C)CC=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456269	0	55	0.0	-76.15	441.12	3.49	-72.66
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456275	1	55	0.0	-71.10	435.56	3.18	-67.92
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456275	1	55	0.0	-70.75	435.54	3.24	-67.51
C[NH+](C)C(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456288	0	57	0.0	-79.12	431.36	3.37	-75.75
C[NH+](C)C1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC(C)(C)C2)CC1	REAL300025456310	0	55	0.0	-79.47	426.58	3.50	-75.97
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456332	0	57	0.0	-72.27	442.30	3.50	-68.77
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456341	1	55	0.0	-68.97	429.72	3.06	-65.91
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456341	1	55	0.0	-70.54	435.22	3.32	-67.22
C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456450	0	55	0.0	-57.33	425.70	2.89	-54.44
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456450	1	55	0.0	-57.86	428.97	3.05	-54.81
CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300025456521	0	57	0.0	-59.23	433.38	3.14	-56.09
CCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456525	0	57	0.0	-59.84	443.13	3.54	-56.30
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456525	1	57	0.0	-59.89	443.13	3.55	-56.34
CC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456542	0	57	0.0	-61.44	444.00	3.38	-58.06
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456542	1	57	0.0	-61.45	443.99	3.38	-58.07
CC[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300025456582	0	57	0.0	-57.98	433.52	3.10	-54.88
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456628	0	55	0.0	-56.86	420.30	2.53	-54.33
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456628	1	55	0.0	-57.63	426.61	2.96	-54.67
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300025456682	0	54	0.0	-58.20	420.31	2.51	-55.69
CC1C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC(C)(C)C2)C1	REAL300025456706	1	55	0.0	-59.62	435.20	3.21	-56.41
CC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456724	0	54	0.0	-59.44	421.63	2.80	-56.64
CC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456724	1	54	0.0	-59.45	421.63	2.80	-56.65
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456754	0	57	0.0	-61.00	440.84	3.19	-57.81
C[NH+](C)C1(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC(C)(C)C2)CC1	REAL300025456757	0	55	0.0	-60.95	426.04	2.62	-58.33
C[C@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300025456761	0	54	0.0	-60.16	420.28	2.48	-57.68
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456764	1	55	0.0	-58.42	427.91	2.82	-55.60
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456764	1	55	0.0	-57.49	426.87	2.78	-54.71
C[NH+](C)C(C)(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456772	0	57	0.0	-54.42	423.19	2.55	-51.87
CC1(C)CC(NC(=O)CSC2=NC(=O)NN2)CN(C(=O)CN=[N+]=[N-])C1	REAL300025456818	0	45	0.0	-22.69	380.84	-2.29	-24.98
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456831	0	55	0.0	-70.71	428.88	2.99	-67.72
C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456831	1	55	0.0	-60.91	422.52	2.64	-58.27
C[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)C1CC1	REAL300025456868	0	55	0.0	-57.47	433.14	3.52	-53.95
C[N@@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)C1CC1	REAL300025456868	1	55	0.0	-58.04	433.30	3.53	-54.51
C[NH+]1CC(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC(C)(C)C2)C1	REAL300025456896	0	55	0.0	-61.69	435.18	2.99	-58.70
C[NH+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456899	0	51	0.0	-60.58	403.89	2.12	-58.46
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+](C)C	REAL300025456902	0	54	0.0	-58.20	420.31	2.51	-55.69
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456909	1	55	0.0	-59.06	435.18	3.19	-55.87
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456909	1	55	0.0	-57.99	429.66	2.97	-55.02
C[NH+](C)CC=CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456910	0	55	0.0	-64.50	438.79	3.35	-61.15
CC[NH+](CC)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025456916	0	57	0.0	-57.99	435.49	3.19	-54.80
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC2)C1	REAL300025456917	1	52	0.0	-59.70	414.20	2.60	-57.10
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1)[NH+]1CCC1	REAL300025456939	1	55	0.0	-57.46	429.64	2.98	-54.48
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025457007	0	55	0.0	-67.99	429.74	3.28	-64.71
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300025457007	1	55	0.0	-69.99	423.88	2.77	-67.22
C[NH+](C)CC(=O)NC1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025457063	0	55	0.0	-75.55	429.04	2.90	-72.65
[N-]=[N+]=NCC(=O)NC1CCC2(CCN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025457068	0	49	0.0	-23.63	405.79	-1.61	-25.24
[N-]=[N+]=NCC(=O)N1CCC2(C1)CCC(NC(=O)CSC1=NC(=O)NN1)CC2	REAL300025457132	0	49	0.0	-26.56	406.01	-1.57	-28.13
C[NH+](C)CC(=O)N1CCC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025457139	0	55	0.0	-75.79	429.05	2.83	-72.96
C=CCC1(NC(=O)C2CCC[N@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457308	0	50	0.0	-68.02	406.38	1.66	-66.36
C=CCC1(NC(=O)C2CCC[N@@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457308	1	50	0.0	-66.01	415.57	2.29	-63.72
C=CCC1(NC(=O)CN2C=C[NH+]=C2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457468	1	48	0.0	-65.95	418.27	2.83	-63.12
C=CCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457484	0	53	0.0	-74.07	411.59	2.73	-71.34
C=CCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457484	1	53	0.0	-69.27	427.47	2.44	-66.83
C=CCC1(NC(=O)C[N@@H+](C)C2CCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457508	0	53	0.0	-66.52	435.48	3.21	-63.31
C=CCC1(NC(=O)C[N@H+](C)C2CCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457508	1	53	0.0	-64.53	435.06	3.20	-61.33
C=CCC1(NC(=O)C2CC[NH+](C)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457532	0	53	0.0	-70.24	433.75	2.90	-67.34
C=CCC1(NC(=O)CN2C=[NH+]C=C2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457547	1	48	0.0	-66.52	418.60	3.56	-62.96
C=CCC1(NC(=O)CC2CC[N@@H+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457554	0	53	0.0	-70.15	435.85	2.83	-67.32
C=CCC1(NC(=O)CC2CC[N@H+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457554	1	53	0.0	-69.72	436.19	2.79	-66.93
C=CCC1(NC(=O)C(CC)[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457557	0	52	0.0	-68.19	422.92	2.67	-65.52
C=CCC1(NC(=O)CCCC[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457568	0	55	0.0	-71.41	454.74	3.37	-68.04
C=CCC1(NC(=O)CC[N@@H+](C)CCC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457572	0	55	0.0	-70.10	450.98	3.17	-66.93
C=CCC1(NC(=O)CC[N@H+](C)CCC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457572	1	55	0.0	-70.25	450.97	3.18	-67.07
C=CCC1(NC(=O)C[N@@H+](C)CCC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457573	0	52	0.0	-68.20	428.62	2.64	-65.56
C=CCC1(NC(=O)C[N@H+](C)CCC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457573	1	52	0.0	-68.01	428.63	2.63	-65.38
C=CCC1(NC(=O)[C@H]2CCC[N@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457585	0	50	0.0	-64.44	407.28	1.71	-62.73
C=CCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457585	1	50	0.0	-65.10	414.33	2.34	-62.76
C=CCC1(NC(=O)C[NH+](CC)CC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457593	0	52	0.0	-66.33	420.80	2.28	-64.05
C=CCC1(NC(=O)C2(C[NH+](C)C)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457638	0	53	0.0	-58.67	433.01	2.84	-55.83
C=CCC1(NC(=O)C2CC[NH+](C)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457654	0	53	0.0	-70.24	433.75	2.90	-67.34
C=CCC1(NC(=O)CC[N@@H+](C)CC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457680	0	52	0.0	-69.43	429.48	2.44	-66.99
C=CCC1(NC(=O)CC[N@H+](C)CC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457680	1	52	0.0	-69.64	429.48	2.44	-67.20
C=CCC1(NC(=O)C[N@H+]2CCCC2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457689	0	53	0.0	-64.88	427.50	2.62	-62.26
C=CCC1(NC(=O)C[N@@H+]2CCCC2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457689	1	53	0.0	-65.01	427.54	2.60	-62.41
C=CCC1(NC(=O)C[N@H+]2CCC(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457690	0	53	0.0	-66.81	435.02	2.89	-63.92
C=CCC1(NC(=O)C[N@@H+]2CCC(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457690	1	53	0.0	-67.14	434.76	2.97	-64.17
C=CCC1(NC(=O)[C@H](CC)[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457692	0	52	0.0	-62.57	419.42	2.28	-60.29
C=CCC1(NC(=O)C[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457721	0	46	0.0	-68.61	389.39	1.23	-67.38
C=CCC1(NC(=O)C[N+]2=CN(C)C=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457722	0	48	0.0	-66.77	420.62	4.74	-62.03
C=CCC1(NC(=O)C2CCC[N@@H+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457725	0	53	0.0	-67.97	433.15	2.84	-65.13
C=CCC1(NC(=O)C2CCC[N@H+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457725	1	53	0.0	-68.91	433.68	2.84	-66.07
C=CCC1(NC(=O)C(C)[NH+]2CCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457731	1	50	0.0	-66.35	416.33	2.23	-64.12
C=CCC1(NC(=O)C[N@@H+](C)C2CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457740	0	50	0.0	-65.67	418.66	2.62	-63.05
C=CCC1(NC(=O)C[N@H+](C)C2CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457740	1	50	0.0	-65.28	418.65	2.63	-62.65
C=CCC1(NC(=O)CC2C[NH+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457749	0	50	0.0	-70.66	420.48	1.97	-68.69
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457761	0	49	0.0	-64.05	407.17	1.65	-62.40
C=CCC1(NC(=O)CN=[N+]=[N-])CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025457768	0	40	0.0	-22.40	365.97	-3.39	-25.79
C=CCC1(NC(=O)CC[N@H+](C)CCO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457795	0	53	0.0	-70.09	439.83	-0.78	-70.87
C=CCC1(NC(=O)CC[N@@H+](C)CCO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457795	1	53	0.0	-68.89	439.21	-0.80	-69.69
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457796	0	49	0.0	-64.05	407.17	1.65	-62.40
C=CCC1(NC(=O)[C@H]2CCCC[N@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457799	0	53	0.0	-66.88	421.79	2.59	-64.29
C=CCC1(NC(=O)[C@H]2CCCC[N@@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457799	1	53	0.0	-65.93	431.12	2.82	-63.11
C=CCC1(NC(=O)C[NH+]2CCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457823	1	47	0.0	-66.56	399.34	1.74	-64.82
C=CCC1(NC(=O)C=C2CC[N@@H+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457831	0	51	0.0	-72.05	427.66	2.77	-69.28
C=CCC1(NC(=O)C=C2CC[N@H+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457831	1	51	0.0	-71.76	426.62	2.83	-68.93
C=CCC1(NC(=O)COCC[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457839	0	53	0.0	-70.37	445.26	2.21	-68.16
C=CCC1(NC(=O)[C@@H](C)[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457849	0	49	0.0	-68.05	406.90	1.60	-66.45
C=CCC1(NC(=O)C[NH+]2CC(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457865	1	50	0.0	-68.05	418.87	2.40	-65.65
C=CCC1(NC(=O)C[N@H+](C)CCO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457877	1	50	0.0	-67.94	417.48	-1.35	-69.29
C=CCC1(NC(=O)C[N@@H+](C)CCO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457877	1	50	0.0	-68.72	416.94	-1.36	-70.08
C=CCC1(NC(=O)CC(C)C[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457887	0	55	0.0	-74.05	445.92	3.19	-70.86
C=CCC1(NC(=O)C[N@@H+](C)CC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457889	0	49	0.0	-67.94	406.57	1.90	-66.04
C=CCC1(NC(=O)C[N@H+](C)CC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457889	1	49	0.0	-67.63	407.11	1.89	-65.74
C=CCC1(NC(=O)C[N@@H+](CC)C2CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457898	0	53	0.0	-64.04	438.54	3.21	-60.83
C=CCC1(NC(=O)C[N@H+](CC)C2CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457898	1	53	0.0	-63.64	428.46	3.01	-60.63
C=CCC1(NC(=O)CC[NH+](CC)CC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457903	0	55	0.0	-68.26	446.72	3.15	-65.11
C=CCC1(NC(=O)C[NH+]2CC(C)(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457911	1	53	0.0	-67.29	439.25	2.78	-64.51
C=CCC1(NC(=O)C=CC[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457916	0	50	0.0	-71.79	425.34	2.44	-69.35
C=CCC1(NC(=O)C[N@@H+](C)CCOC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457923	1	53	0.0	-67.92	438.98	1.05	-66.87
C=CCC1(NC(=O)C[N@H+](C)CCOC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457923	1	53	0.0	-67.93	439.73	1.05	-66.88
C=CCC1(NC(=O)CCC(C)[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457930	0	55	0.0	-72.37	442.72	2.90	-69.47
C=CCC1(NC(=O)C2CC[N@H+]2CC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457934	1	50	0.0	-67.03	420.71	2.20	-64.83
C=CCC1(NC(=O)C2CC[N@@H+]2CC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457934	1	50	0.0	-66.98	411.97	2.03	-64.95
C=CCC(C(=O)NC1(CC=C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025457956	0	53	0.0	-70.37	437.65	2.99	-67.38
C=CCC1(NC(=O)C[NH+]2CC3CC3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457963	0	51	0.0	-67.77	423.93	3.06	-64.71
C=CCC1(NC(=O)C(CCC)[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457968	0	55	0.0	-69.43	444.22	3.43	-66.00
C=CCC1(NC(=O)C2CCCC[N@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457978	0	53	0.0	-66.91	421.80	2.59	-64.32
C=CCC1(NC(=O)C2CCCC[N@@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457978	1	53	0.0	-64.20	419.59	2.50	-61.70
C=CCC1(NC(=O)CC[NH+]2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025458010	0	53	0.0	-69.59	436.11	2.85	-66.74
C=CCC1(NC(=O)C(C)C[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025458045	0	52	0.0	-69.27	427.88	2.50	-66.77
C=CCC1(NC(=O)C(C)[NH+]2CC(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025458066	1	53	0.0	-63.93	438.04	2.94	-60.99
C=CCC1(NC(=O)C[N@H+]2CCC2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025458067	1	50	0.0	-65.70	414.11	2.23	-63.47
C=CCC1(NC(=O)C[N@@H+]2CCC2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025458067	1	50	0.0	-64.93	420.39	2.35	-62.58
C=CCC1(NC(=O)CC(O)C[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025458068	0	53	0.0	-72.81	441.99	0.22	-72.59
C=CCC1(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025458095	0	53	0.0	-64.12	438.38	2.94	-61.18
C=CCC1(NC(=O)C(C)CC[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025458096	0	55	0.0	-70.07	449.12	3.13	-66.94
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC[N@H+]2C)C1	REAL300025458262	0	50	0.0	-62.58	413.97	1.88	-60.70
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300025458262	1	50	0.0	-61.00	407.11	1.51	-59.49
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300025458288	1	51	0.0	-76.36	424.25	1.36	-75.00
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300025458288	1	51	0.0	-72.36	416.68	1.35	-71.01
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300025458438	0	53	0.0	-80.52	435.12	2.83	-77.69
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300025458438	1	53	0.0	-79.57	435.70	2.81	-76.76
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(CC)[NH+](C)C)C1	REAL300025458441	0	52	0.0	-64.37	416.59	1.99	-62.38
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CCCC[NH+](C)C)C1	REAL300025458451	0	55	0.0	-79.64	454.74	3.36	-76.28
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(C(C)C)[NH+](C)C)C1	REAL300025458456	0	55	0.0	-74.81	434.34	3.15	-71.66
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[N@@H+](C)CCC)C1	REAL300025458457	0	55	0.0	-67.55	450.60	2.97	-64.58
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[N@H+](C)CCC)C1	REAL300025458457	1	55	0.0	-80.06	450.67	3.20	-76.86
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+](C)CCC)C1	REAL300025458458	0	52	0.0	-65.74	428.25	2.40	-63.34
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+](C)CCC)C1	REAL300025458458	1	52	0.0	-65.64	428.30	2.41	-63.23
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300025458497	0	53	0.0	-71.01	437.08	2.58	-68.43
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[N@@H+](C)CC)C1	REAL300025458503	0	52	0.0	-79.09	429.48	2.43	-76.66
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[N@H+](C)CC)C1	REAL300025458503	1	52	0.0	-67.23	429.10	2.23	-65.00
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025458527	0	53	0.0	-70.81	431.29	2.45	-68.36
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1	REAL300025458542	0	55	0.0	-73.50	431.85	2.98	-70.52
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300025458566	0	53	0.0	-81.20	420.22	2.41	-78.79
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300025458591	0	53	0.0	-73.45	427.76	2.60	-70.85
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300025458591	1	53	0.0	-73.04	427.73	2.62	-70.42
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	REAL300025458602	0	55	0.0	-76.77	432.60	3.48	-73.29
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300025458610	0	53	0.0	-64.23	435.19	2.63	-61.60
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300025458610	1	53	0.0	-75.78	434.72	2.88	-72.90
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H](CC)[NH+](C)C)C1	REAL300025458612	0	52	0.0	-76.61	420.77	2.44	-74.17
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2C=C[NH+]=C2C)C1	REAL300025458651	1	48	0.0	-63.81	418.46	2.59	-61.22
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2C=[NH+]C=C2C)C1	REAL300025458669	1	48	0.0	-64.83	417.73	3.28	-61.55
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300025458670	0	53	0.0	-80.29	426.18	2.50	-77.79
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300025458670	1	53	0.0	-82.36	431.36	2.43	-79.93
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300025458702	0	53	0.0	-64.27	435.18	2.98	-61.29
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300025458702	1	53	0.0	-63.59	435.26	2.99	-60.60
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025458709	0	53	0.0	-70.81	431.29	2.45	-68.36
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300025458722	0	50	0.0	-74.80	407.75	1.59	-73.21
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300025458722	1	50	0.0	-73.59	412.35	2.17	-71.42
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025458765	0	53	0.0	-72.07	417.73	2.58	-69.49
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025458765	1	53	0.0	-74.69	417.83	2.36	-72.33
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300025458794	0	53	0.0	-77.07	435.11	2.68	-74.39
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300025458794	1	53	0.0	-80.12	430.63	2.89	-77.23
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025458835	0	49	0.0	-74.91	405.47	1.56	-73.35
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025458853	0	53	0.0	-79.01	437.40	2.97	-76.04
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+](C)CCO)C1	REAL300025458858	1	50	0.0	-65.54	417.10	-1.58	-67.12
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+](C)CCO)C1	REAL300025458858	1	50	0.0	-65.97	416.99	-1.58	-67.55
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CC(C)C2)C1	REAL300025458904	1	50	0.0	-76.67	420.15	2.29	-74.38
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+](C)CC)C1	REAL300025458938	0	49	0.0	-65.36	406.75	1.66	-63.70
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+](C)CC)C1	REAL300025458938	1	49	0.0	-65.31	406.80	1.66	-63.65
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+](C)CCOC)C1	REAL300025458991	1	53	0.0	-66.01	439.24	0.82	-65.19
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+](C)CCOC)C1	REAL300025458991	1	53	0.0	-65.45	439.36	0.83	-64.62
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CCC(C)[NH+](C)C)C1	REAL300025458993	0	55	0.0	-83.67	442.64	2.95	-80.72
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+](CC)C2CC2)C1	REAL300025458998	0	53	0.0	-62.49	437.61	3.03	-59.46
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+](CC)C2CC2)C1	REAL300025458998	1	53	0.0	-75.09	430.54	3.11	-71.98
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300025459011	0	51	0.0	-80.31	416.82	2.53	-77.78
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300025459011	1	51	0.0	-84.57	414.84	2.55	-82.02
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(C)C[NH+](C)C)C1	REAL300025459020	0	52	0.0	-80.24	427.21	2.35	-77.89
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2([NH+](C)C)CC2)C1	REAL300025459026	0	50	0.0	-68.44	412.76	1.83	-66.61
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300025459036	0	49	0.0	-74.59	406.67	1.63	-72.96
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@H+]2CC)C1	REAL300025459039	1	50	0.0	-74.26	413.02	1.89	-72.37
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@@H+]2CC)C1	REAL300025459039	1	50	0.0	-74.79	412.70	1.81	-72.98
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300025459054	0	46	0.0	-81.12	397.83	-0.70	-81.82
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(CCC)[NH+](C)C)C1	REAL300025459058	0	55	0.0	-75.28	443.49	3.10	-72.18
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300025459061	0	52	0.0	-80.90	408.37	2.13	-78.77
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(C)CC[NH+](C)C)C1	REAL300025459070	0	55	0.0	-79.85	450.17	2.98	-76.87
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025459130	0	51	0.0	-65.27	424.53	2.88	-62.39
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025459140	0	53	0.0	-72.07	417.73	2.58	-69.49
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025459140	1	53	0.0	-74.69	417.83	2.36	-72.33
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300025459168	0	51	0.0	-80.32	427.03	2.77	-77.55
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300025459168	1	51	0.0	-80.41	427.40	2.75	-77.66
C=CCC1(NC(=O)CSC2=NC(=O)NN2)CN(C(=O)CN=[N+]=[N-])C1	REAL300025459175	0	40	0.0	-27.32	366.04	-3.17	-30.49
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CC(CC)C2)C1	REAL300025459191	1	53	0.0	-77.85	441.30	3.01	-74.84
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300025459196	0	50	0.0	-73.41	411.68	2.05	-71.36
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300025459196	1	50	0.0	-77.83	408.25	1.72	-76.11
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300025459239	0	53	0.0	-79.97	438.53	2.93	-77.04
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)COCC[NH+](C)C)C1	REAL300025459256	0	53	0.0	-75.86	445.25	2.31	-73.55
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300025459290	0	53	0.0	-76.64	430.52	3.09	-73.55
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300025459291	0	53	0.0	-67.36	429.00	2.39	-64.97
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300025459291	1	53	0.0	-70.05	423.96	2.69	-67.36
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300025459292	0	48	0.0	-75.21	420.31	4.75	-70.46
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300025459302	0	50	0.0	-73.56	418.36	2.65	-70.91
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+](C)C2CC2)C1	REAL300025459302	1	50	0.0	-74.60	418.50	2.66	-71.94
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC(C)C[NH+](C)C)C1	REAL300025459310	0	55	0.0	-79.51	446.44	3.21	-76.30
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC2C[NH+](C)C2)C1	REAL300025459360	0	50	0.0	-79.20	420.37	2.06	-77.14
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+](C)C)C1	REAL300025459367	0	46	0.0	-77.28	389.38	1.21	-76.07
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[N@H+](C)CCO)C1	REAL300025459377	0	53	0.0	-78.61	439.53	-0.77	-79.38
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[N@@H+](C)CCO)C1	REAL300025459377	1	53	0.0	-66.18	439.04	-0.98	-67.16
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025459378	0	49	0.0	-74.91	405.47	1.56	-73.35
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300025459392	0	53	0.0	-73.40	434.83	2.59	-70.81
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CCC2C)C1	REAL300025459393	1	50	0.0	-64.62	420.32	2.11	-62.51
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300025459393	1	50	0.0	-62.12	414.15	1.87	-60.25
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C=CC[NH+](C)C)C1	REAL300025459395	0	50	0.0	-82.31	425.10	2.41	-79.90
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300025459399	1	53	0.0	-76.99	439.44	2.81	-74.18
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+](CC)CC)C1	REAL300025459415	0	52	0.0	-74.78	424.73	2.49	-72.29
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC2)C1	REAL300025459420	1	47	0.0	-77.13	398.73	1.71	-75.42
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+](CC)CC)C1	REAL300025459440	0	55	0.0	-78.37	443.08	2.87	-75.50
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(C)[NH+]2CCC2)C1	REAL300025459469	1	50	0.0	-73.37	413.98	1.99	-71.38
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300025459473	0	55	0.0	-73.21	430.20	2.49	-70.72
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300025459494	0	53	0.0	-73.74	419.81	2.36	-71.38
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300025459494	1	53	0.0	-71.98	430.04	2.97	-69.01
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC(O)C[NH+](C)C)C1	REAL300025459504	0	53	0.0	-83.19	441.69	0.31	-82.88
C=CCC(C(=O)N1CC(CC=C)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025459516	0	53	0.0	-64.75	430.04	2.51	-62.24
C=CCC1(NC(=O)CSC(N)=[NH2+])CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025459539	0	44	0.0	-69.58	397.30	-1.82	-71.40
C=CCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025459593	0	50	0.0	-63.86	414.74	2.30	-61.56
C=CCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025459593	1	50	0.0	-64.04	407.75	1.67	-62.37
C=CCC1(NC(=O)C[NH+]2CCCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025459600	0	53	0.0	-67.35	431.10	3.09	-64.26
C=CCC1(NC(=O)C2CC[N@H+](C)C2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025459603	0	53	0.0	-68.25	434.40	2.78	-65.47
C=CCC1(NC(=O)C2CC[N@@H+](C)C2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025459603	1	53	0.0	-73.52	419.57	3.03	-70.49
C[NH+](C)CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025459745	0	52	0.0	-73.31	419.13	2.42	-70.89
C[C@@H](C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025459750	0	55	0.0	-72.89	436.74	2.86	-70.03
[N-]=[N+]=NCC(=O)NC1CCC2(CN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025459753	0	46	0.0	-24.58	396.20	-1.97	-26.55
C[C@@H](C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025459763	0	55	0.0	-72.89	436.74	2.86	-70.03
O=C(C[NH+]1CCC1)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025459771	1	53	0.0	-73.79	428.94	2.85	-70.94
C[C@H](C(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025459776	0	55	0.0	-71.66	436.97	2.86	-68.80
CC[N@H+](C)CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025459788	0	55	0.0	-72.93	436.88	3.08	-69.85
CC[N@@H+](C)CC(=O)NC1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025459788	1	55	0.0	-73.49	436.58	3.10	-70.39
C[C@@H](C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025459934	0	55	0.0	-71.54	436.24	2.77	-68.77
CC[N@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025459953	0	55	0.0	-73.02	436.55	3.08	-69.94
CC[N@@H+](C)CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025459953	1	55	0.0	-72.93	436.57	3.07	-69.86
C[C@H](C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025459966	0	55	0.0	-73.03	437.08	2.80	-70.23
[N-]=[N+]=NCC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NC(=O)NN1)CC2	REAL300025459991	0	46	0.0	-26.57	395.74	-2.00	-28.57
C[NH+](C)CC(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025460022	0	52	0.0	-73.92	418.82	2.41	-71.51
C[C@@H](C(=O)N1CC2(C1)CCC(NC(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025460025	0	55	0.0	-71.54	436.24	2.77	-68.77
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2(CN(C(=O)C[NH+]3CCC3)C2)CC1	REAL300025460032	1	53	0.0	-73.58	429.14	2.88	-70.70
C[N@@H+]1CCCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460231	0	50	0.0	-69.37	401.96	1.96	-67.41
C[N@H+]1CCCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460231	1	50	0.0	-68.84	402.93	2.00	-66.84
CC1=[NH+]C=CN1CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460391	1	48	0.0	-66.73	405.56	2.58	-64.15
C[C@@H]1[C@H](C(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025460407	0	53	0.0	-76.65	413.01	1.88	-74.77
C[C@@H]1[C@H](C(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025460407	1	53	0.0	-73.14	418.43	2.51	-70.63
C[N@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025460431	0	53	0.0	-71.71	423.28	2.92	-68.79
C[N@@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025460431	1	53	0.0	-71.59	423.18	2.92	-68.67
C[NH+]1CCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025460455	0	53	0.0	-77.51	420.87	2.67	-74.84
CC1=C[NH+]=CN1CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460470	1	48	0.0	-71.49	406.07	3.35	-68.14
C[N@@H+]1CCC(CC(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025460477	0	53	0.0	-75.38	423.45	2.60	-72.78
C[N@H+]1CCC(CC(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025460477	1	53	0.0	-75.19	423.97	2.57	-72.62
CCC(C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025460480	0	52	0.0	-72.13	407.78	1.89	-70.24
C[NH+](C)CCCCC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460491	0	55	0.0	-76.39	442.42	3.08	-73.31
CCC[N@H+](C)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460495	0	55	0.0	-76.08	438.65	2.89	-73.19
CCC[N@@H+](C)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460495	1	55	0.0	-76.11	438.66	2.89	-73.22
CCC[N@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460496	0	52	0.0	-73.84	416.29	2.36	-71.48
CCC[N@@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460496	1	52	0.0	-73.71	416.29	2.36	-71.35
C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460508	0	50	0.0	-74.64	397.06	1.48	-73.16
C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460508	1	50	0.0	-67.00	402.45	2.03	-64.97
CC[NH+](CC)CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460516	0	52	0.0	-71.94	408.65	2.01	-69.93
C[NH+](C)CC1(C(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025460561	0	53	0.0	-72.26	425.33	2.89	-69.37
C[NH+]1CCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025460577	0	53	0.0	-77.51	420.87	2.67	-74.84
CC[N@H+](C)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460603	0	52	0.0	-76.53	417.30	2.26	-74.27
CC[N@@H+](C)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460603	1	52	0.0	-75.37	417.16	2.14	-73.23
CC1CCC[N@@H+]1CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460612	0	53	0.0	-71.37	416.22	2.46	-68.91
CC1CCC[N@H+]1CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460612	1	53	0.0	-71.36	416.62	2.47	-68.89
CC1CC[N@H+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025460613	0	53	0.0	-72.47	421.69	2.68	-69.79
CC1CC[N@@H+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025460613	1	53	0.0	-70.54	422.28	2.65	-67.89
CC[C@@H](C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025460615	0	52	0.0	-66.52	406.68	1.93	-64.59
C[NH+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460644	0	46	0.0	-75.22	377.21	1.05	-74.17
CN1C=C[N+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300025460645	0	48	0.0	-70.57	407.97	4.43	-66.14
C[N@@H+]1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025460648	0	53	0.0	-67.53	415.05	2.72	-64.81
C[N@H+]1CCCC(C(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025460648	1	53	0.0	-65.39	414.62	2.81	-62.58
CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025460654	1	50	0.0	-71.28	404.92	1.93	-69.35
C[N@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025460663	0	50	0.0	-71.89	406.49	2.46	-69.43
C[N@@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025460663	1	50	0.0	-71.11	406.14	2.33	-68.78
C[NH+]1CC(CC(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025460672	0	50	0.0	-73.74	408.02	1.74	-72.00
C[C@@H](C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025460684	0	49	0.0	-71.21	395.27	1.31	-69.90
[N-]=[N+]=NCC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025460691	0	40	0.0	-26.06	354.05	-3.46	-29.52
C[N@H+](CCO)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460718	0	53	0.0	-75.46	427.51	-1.07	-76.53
C[N@@H+](CCO)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460718	1	53	0.0	-74.24	427.46	-1.07	-75.31
C[C@@H](C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025460719	0	49	0.0	-71.21	395.27	1.31	-69.90
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460722	0	53	0.0	-70.23	409.41	2.36	-67.87
C[N@H+]1CCCC[C@@H]1C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460722	1	53	0.0	-68.16	418.07	2.57	-65.59
C[N@@H+]1CCC(=CC(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025460754	0	51	0.0	-74.88	414.15	2.48	-72.40
C[N@H+]1CCC(=CC(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025460754	1	51	0.0	-77.71	415.58	2.69	-75.02
C[NH+](C)CCOCC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460762	0	53	0.0	-74.13	432.94	1.97	-72.16
C[C@H](C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025460772	0	49	0.0	-73.82	395.67	1.50	-72.32
CC1C[NH+](CC(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025460788	1	50	0.0	-74.04	406.36	2.18	-71.86
C[N@H+](CCO)CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460800	1	50	0.0	-73.98	405.15	-1.63	-75.61
C[N@@H+](CCO)CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460800	1	50	0.0	-74.46	404.12	-1.55	-76.01
CC(CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025460810	0	55	0.0	-75.70	433.47	3.00	-72.70
CC[N@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460812	0	49	0.0	-73.46	394.79	1.61	-71.85
CC[N@@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460812	1	49	0.0	-73.35	394.79	1.61	-71.74
CC[N@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025460821	0	53	0.0	-71.00	423.53	2.87	-68.13
CC[N@@H+](CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025460821	1	53	0.0	-71.61	420.54	2.65	-68.96
CC[NH+](CC)CCC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460826	0	55	0.0	-74.97	430.66	2.57	-72.40
C[NH+](C)CC=CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460839	0	50	0.0	-77.06	412.22	2.22	-74.84
COCC[N@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460846	1	53	0.0	-74.64	427.19	0.77	-73.87
COCC[N@@H+](C)CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460846	1	53	0.0	-74.29	427.40	0.78	-73.51
CC(CCC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025460853	0	55	0.0	-78.75	430.41	2.67	-76.08
CC[N@@H+]1CCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460857	1	50	0.0	-70.71	407.91	1.90	-68.81
CC[N@H+]1CCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460857	1	50	0.0	-72.53	402.27	1.70	-70.83
C=CCC(C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025460879	0	53	0.0	-74.05	423.68	2.61	-71.44
O=C(C[NH+]1CC2CC2C1)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460886	0	51	0.0	-73.96	411.29	2.73	-71.23
CCCC(C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025460891	0	55	0.0	-70.62	431.95	3.31	-67.31
C[N@@H+]1CCCCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460901	0	53	0.0	-69.07	419.14	2.52	-66.55
C[N@H+]1CCCCC1C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460901	1	53	0.0	-70.02	418.61	2.55	-67.47
O=C(CC[NH+]1CCCC1)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460933	0	53	0.0	-75.02	424.37	2.59	-72.43
CC(C[NH+](C)C)C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460968	0	52	0.0	-72.20	415.03	2.22	-69.98
CC(C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300025460989	1	53	0.0	-71.90	427.09	2.78	-69.12
CC1CC[N@@H+]1CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460990	1	50	0.0	-72.85	407.31	2.14	-70.71
CC1CC[N@H+]1CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460990	1	50	0.0	-71.79	407.58	2.12	-69.67
C[NH+](C)CC(O)CC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025460991	0	53	0.0	-79.02	429.78	-0.10	-79.12
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025461018	0	53	0.0	-67.09	425.69	2.71	-64.38
CC(CC[NH+](C)C)C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025461019	0	55	0.0	-75.80	437.58	2.97	-72.83
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461185	0	50	0.0	-72.92	399.08	1.86	-71.06
C[N@H+]1CCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461185	1	50	0.0	-74.52	395.86	1.35	-73.17
C[N@@H+]1CCOC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025461211	1	51	0.0	-81.08	401.44	0.99	-80.09
C[N@H+]1CCOC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025461211	1	51	0.0	-91.58	408.74	1.20	-90.38
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025461361	0	53	0.0	-78.19	422.97	2.55	-75.64
C[N@H+]1CCC(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025461361	1	53	0.0	-79.53	424.60	2.66	-76.87
CCC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025461364	0	52	0.0	-73.99	404.29	1.89	-72.10
C[NH+](C)CCCCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461374	0	55	0.0	-79.82	441.62	3.05	-76.77
CC(C)C(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025461379	0	55	0.0	-75.51	420.38	2.37	-73.14
CCC[N@H+](C)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461380	0	55	0.0	-78.52	437.70	2.91	-75.61
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461380	1	55	0.0	-78.47	437.70	2.92	-75.55
CCC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461381	0	52	0.0	-76.00	416.40	2.26	-73.74
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461381	1	52	0.0	-76.26	415.95	2.28	-73.98
C[NH+](C)CC1(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025461420	0	53	0.0	-79.62	424.16	2.48	-77.14
CC[N@H+](C)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461426	0	52	0.0	-77.72	416.20	2.17	-75.55
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461426	1	52	0.0	-77.76	416.20	2.17	-75.59
C[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025461450	0	53	0.0	-65.49	422.18	2.41	-63.08
CC(C)[C@H](C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025461465	0	55	0.0	-73.46	419.15	2.66	-70.80
C[NH+](C)C1(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025461489	0	53	0.0	-79.12	403.94	1.91	-77.21
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461514	0	53	0.0	-72.46	415.43	2.23	-70.23
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461514	1	53	0.0	-73.02	421.21	2.63	-70.39
CC(C)[C@@H](C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025461525	0	55	0.0	-74.34	419.56	2.52	-71.82
CC1CC[N@H+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025461533	0	53	0.0	-73.58	422.48	2.57	-71.01
CC1CC[N@@H+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025461533	1	53	0.0	-75.38	423.25	2.77	-72.61
CC[C@@H](C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025461535	0	52	0.0	-72.28	404.93	1.76	-70.52
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461574	1	48	0.0	-72.63	406.58	2.44	-70.19
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461592	1	48	0.0	-75.62	405.44	3.16	-72.46
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025461593	0	53	0.0	-81.92	411.96	1.79	-80.13
C[C@@H]1[C@H](C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025461593	1	53	0.0	-79.29	416.59	2.48	-76.81
C[N@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025461625	0	53	0.0	-73.77	422.94	2.84	-70.93
C[N@@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025461625	1	53	0.0	-73.82	423.29	2.81	-71.01
C[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025461632	0	53	0.0	-65.49	422.18	2.41	-63.08
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461645	0	50	0.0	-73.83	395.00	1.46	-72.37
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461645	1	50	0.0	-73.36	399.79	1.74	-71.62
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461688	0	53	0.0	-74.78	409.07	2.21	-72.57
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461688	1	53	0.0	-70.85	415.91	2.44	-68.41
CC1C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025461717	0	53	0.0	-75.65	418.20	2.28	-73.37
CC1C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025461717	1	53	0.0	-78.40	417.12	2.45	-75.95
C[C@@H](C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025461758	0	49	0.0	-74.08	392.61	1.16	-72.92
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CC[C@H]1CN(C(=O)CC[NH+]1CCCC1)C2	REAL300025461776	0	53	0.0	-78.65	424.48	2.53	-76.12
C[N@H+](CCO)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461781	1	50	0.0	-77.01	404.80	-1.70	-78.71
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461781	1	50	0.0	-76.78	405.04	-1.73	-78.51
CC1C[NH+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025461827	1	50	0.0	-77.19	406.38	2.08	-75.11
CC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461861	0	49	0.0	-75.80	394.90	1.52	-74.28
CC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461861	1	49	0.0	-76.05	394.45	1.54	-74.51
COCC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461914	1	53	0.0	-76.56	427.29	0.68	-75.88
COCC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461914	1	53	0.0	-77.32	427.06	0.70	-76.62
CC(CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025461916	0	55	0.0	-82.70	430.87	2.79	-79.91
CC[N@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025461921	0	53	0.0	-72.05	425.77	2.86	-69.19
CC[N@@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025461921	1	53	0.0	-74.58	418.52	2.75	-71.83
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025461934	0	51	0.0	-61.14	403.27	2.00	-59.14
C[N@H+]1CC2CC1(C(=O)N1C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025461934	1	51	0.0	-81.29	398.18	2.07	-79.22
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461943	0	52	0.0	-79.73	415.72	1.98	-77.75
C[NH+](C)C1(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025461949	0	50	0.0	-79.48	396.95	1.45	-78.03
C[C@H](C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025461959	0	49	0.0	-74.61	393.86	1.20	-73.41
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461962	1	50	0.0	-73.51	400.62	1.54	-71.97
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461962	1	50	0.0	-75.86	406.95	1.92	-73.94
NC1=CC=[NH+]C=C1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461977	0	46	0.0	-79.35	384.75	-1.22	-80.57
CCCC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025461981	0	55	0.0	-75.24	427.63	2.65	-72.59
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461984	0	52	0.0	-79.80	395.30	1.63	-78.17
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025461993	0	55	0.0	-78.91	432.60	2.44	-76.47
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CC[C@H]1CN(C(=O)C[NH+]1CC3CC3C1)C2	REAL300025462053	0	51	0.0	-76.24	412.64	2.71	-73.53
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462063	0	53	0.0	-74.78	409.07	2.21	-72.57
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462063	1	53	0.0	-70.85	415.91	2.44	-68.41
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025462091	0	51	0.0	-81.22	414.70	2.59	-78.63
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025462091	1	51	0.0	-81.18	414.68	2.60	-78.58
[N-]=[N+]=NCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025462098	0	40	0.0	-26.45	353.07	-3.47	-29.92
CCC1C[NH+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025462114	1	53	0.0	-77.39	428.70	2.76	-74.63
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462119	0	50	0.0	-72.29	398.41	1.65	-70.64
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462119	1	50	0.0	-74.80	394.80	1.41	-73.39
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025462162	0	53	0.0	-78.16	425.35	2.65	-75.51
C[NH+](C)CCOCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462179	0	53	0.0	-74.86	431.97	2.05	-72.81
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CC[C@H]1CN(C(=O)C[NH+]1CCCCC1)C2	REAL300025462213	0	53	0.0	-74.74	418.36	2.78	-71.96
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025462214	0	53	0.0	-76.72	416.33	2.28	-74.44
C[N@H+]1CCCC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025462214	1	53	0.0	-75.48	410.80	2.38	-73.10
CN1C=C[N+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025462215	0	48	0.0	-73.59	408.41	4.35	-69.24
C[N@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025462225	0	50	0.0	-72.68	406.46	2.25	-70.43
C[N@@H+](CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025462225	1	50	0.0	-73.33	406.58	2.25	-71.08
CC(CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025462233	0	55	0.0	-82.12	433.25	2.94	-79.18
C[NH+]1CC(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025462283	0	50	0.0	-78.03	408.97	1.86	-76.17
C[NH+](C)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462290	0	46	0.0	-76.54	377.53	1.02	-75.52
C[N@H+](CCO)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462300	0	53	0.0	-77.05	426.56	-1.05	-78.10
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462300	1	53	0.0	-76.93	426.51	-1.05	-77.98
C[C@@H](C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025462301	0	49	0.0	-74.08	392.61	1.16	-72.92
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025462315	0	53	0.0	-73.29	421.20	2.16	-71.13
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462316	1	50	0.0	-72.60	401.86	1.74	-70.86
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462316	1	50	0.0	-74.89	408.90	2.08	-72.81
C[NH+](C)CC=CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462318	0	50	0.0	-81.53	411.21	2.13	-79.40
CC1(C)C[NH+](CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025462322	1	53	0.0	-75.42	426.51	2.52	-72.90
CC[NH+](CC)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462338	0	52	0.0	-72.76	411.99	2.23	-70.53
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CC[C@H]1CN(C(=O)C[NH+]1CCC1)C2	REAL300025462343	1	47	0.0	-76.47	386.38	1.37	-75.10
CC[NH+](CC)CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462363	0	55	0.0	-77.63	429.73	2.54	-75.09
CC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025462392	1	50	0.0	-73.41	397.81	1.45	-71.96
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462396	0	55	0.0	-76.89	416.60	2.12	-74.77
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462417	0	53	0.0	-73.92	405.68	1.93	-71.99
C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462417	1	53	0.0	-70.82	415.96	2.44	-68.38
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462427	0	53	0.0	-82.09	428.59	-0.01	-82.10
C=CCC(C(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025462439	0	53	0.0	-75.54	420.66	2.38	-73.16
NC(=[NH2+])SCC(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025462462	0	44	0.0	-76.39	385.61	-2.19	-78.58
C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025462516	0	50	0.0	-67.23	403.11	1.93	-65.30
C[N@H+]1CCC[C@H]1C(=O)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025462516	1	50	0.0	-64.92	395.65	1.51	-63.41
O=C(C[NH+]1CCCCC1)N[C@]12CC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025462523	0	53	0.0	-73.61	418.81	2.81	-70.80
CC1C(C(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025462526	0	53	0.0	-73.71	417.35	2.06	-71.65
CC1C(C(=O)N[C@]23CC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025462526	1	53	0.0	-76.55	414.21	2.22	-74.33
C=CCC1(NC(=O)C2CCC[N@H+]2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462679	0	53	0.0	-65.01	421.37	2.50	-62.51
C=CCC1(NC(=O)C2CCC[N@@H+]2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462679	1	53	0.0	-69.89	418.10	2.50	-67.39
C=CCC1(NC(=O)C(CC)[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462773	0	55	0.0	-67.84	429.16	3.09	-64.75
C=CCC1(NC(=O)C[N@@H+](C)CCC)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462777	0	55	0.0	-71.19	438.92	3.38	-67.81
C=CCC1(NC(=O)C[N@H+](C)CCC)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462777	1	55	0.0	-67.27	440.59	3.39	-63.88
C=CCC1(NC(=O)[C@H]2CCC[N@H+]2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462783	0	53	0.0	-68.16	416.35	2.35	-65.81
C=CCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462783	1	53	0.0	-66.28	425.96	3.04	-63.24
C=CCC1(NC(=O)C[NH+](CC)CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462786	0	55	0.0	-69.13	435.39	3.30	-65.83
C=CCC1(NC(=O)CC[N@@H+](C)CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462828	0	55	0.0	-71.16	439.78	3.19	-67.97
C=CCC1(NC(=O)CC[N@H+](C)CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462828	1	55	0.0	-71.07	439.78	3.19	-67.88
C=CCC1(NC(=O)[C@H](CC)[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462831	0	55	0.0	-63.35	432.22	3.00	-60.35
C=CCC1(NC(=O)C[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462846	0	49	0.0	-71.51	399.69	1.97	-69.54
C=CCC1(NC(=O)C(C)[NH+]2CCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462850	1	53	0.0	-66.59	427.35	2.98	-63.61
C=CCC1(NC(=O)C[N@@H+](C)C2CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462857	0	53	0.0	-68.21	428.95	3.37	-64.84
C=CCC1(NC(=O)C[N@H+](C)C2CC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462857	1	53	0.0	-68.88	429.09	3.38	-65.50
C=CCC1(NC(=O)CC2C[NH+](C)C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462862	0	53	0.0	-70.80	431.01	2.79	-68.01
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462869	0	52	0.0	-65.03	419.03	2.38	-62.65
C=CCC1(NC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025462872	0	43	0.0	-21.57	376.57	-2.47	-24.04
C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462888	0	52	0.0	-65.03	419.03	2.38	-62.65
C=CCC1(NC(=O)C[NH+]2CCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462904	1	50	0.0	-72.12	410.16	2.34	-69.78
C=CCC1(NC(=O)[C@@H](C)[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462912	0	52	0.0	-64.89	417.27	2.34	-62.55
C=CCC1(NC(=O)C[NH+]2CC(C)C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462919	1	53	0.0	-68.08	431.26	3.13	-64.95
C=CCC1(NC(=O)C[N@H+](C)CCO)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462929	1	53	0.0	-71.47	427.77	-0.60	-72.07
C=CCC1(NC(=O)C[N@@H+](C)CCO)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462929	1	53	0.0	-70.86	427.76	-0.62	-71.48
C=CCC1(NC(=O)C[N@@H+](C)CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462934	0	52	0.0	-70.74	417.42	2.63	-68.11
C=CCC1(NC(=O)C[N@H+](C)CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462934	1	52	0.0	-66.76	419.09	2.65	-64.11
C=CCC1(NC(=O)C=CC[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462949	0	53	0.0	-72.87	435.57	3.25	-69.62
C=CCC1(NC(=O)C2CC[N@H+]2CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462954	1	53	0.0	-67.09	423.97	2.65	-64.44
C=CCC1(NC(=O)C2CC[N@@H+]2CC)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462954	1	53	0.0	-70.93	431.86	2.98	-67.95
C=CCC1(NC(=O)C(C)C[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025462997	0	55	0.0	-66.87	437.20	3.32	-63.55
C=CCC1(NC(=O)C[N@H+]2CCC2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025463007	1	53	0.0	-68.63	425.56	2.79	-65.84
C=CCC1(NC(=O)C[N@@H+]2CCC2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025463007	1	53	0.0	-69.69	430.92	3.14	-66.55
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2CCC[N@H+]2C)C1	REAL300025463119	0	53	0.0	-73.60	421.38	2.65	-70.95
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300025463119	1	53	0.0	-69.35	419.93	2.37	-66.98
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C(CC)[NH+](C)C)C1	REAL300025463193	0	55	0.0	-67.61	429.10	2.94	-64.67
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@@H+](C)CCC)C1	REAL300025463197	0	55	0.0	-75.82	439.46	3.32	-72.50
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@H+](C)CCC)C1	REAL300025463197	1	55	0.0	-73.91	440.61	3.41	-70.50
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CC[N@@H+](C)CC)C1	REAL300025463214	0	55	0.0	-78.81	440.32	3.16	-75.65
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CC[N@H+](C)CC)C1	REAL300025463214	1	55	0.0	-71.47	439.62	3.14	-68.33
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@H](CC)[NH+](C)C)C1	REAL300025463255	0	55	0.0	-72.70	427.38	2.72	-69.98
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300025463301	0	53	0.0	-71.66	419.94	2.44	-69.22
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300025463301	1	53	0.0	-70.01	422.88	2.77	-67.24
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025463356	0	52	0.0	-74.90	416.73	2.24	-72.66
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@H+](C)CCO)C1	REAL300025463366	1	53	0.0	-75.39	429.47	-0.56	-75.95
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@@H+](C)CCO)C1	REAL300025463366	1	53	0.0	-76.19	427.89	-0.75	-76.94
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CC(C)C2)C1	REAL300025463382	1	53	0.0	-76.25	431.32	2.96	-73.29
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@@H+](C)CC)C1	REAL300025463400	0	52	0.0	-75.62	417.96	2.58	-73.04
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@H+](C)CC)C1	REAL300025463400	1	52	0.0	-75.69	417.96	2.58	-73.11
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C(C)C[NH+](C)C)C1	REAL300025463433	0	55	0.0	-79.02	434.29	2.88	-76.14
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2([NH+](C)C)CC2)C1	REAL300025463436	0	53	0.0	-80.35	421.60	2.43	-77.92
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300025463440	0	52	0.0	-74.03	416.54	2.17	-71.86
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2CC[N@H+]2CC)C1	REAL300025463443	1	53	0.0	-72.80	433.01	2.88	-69.92
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2CC[N@@H+]2CC)C1	REAL300025463443	1	53	0.0	-72.01	424.90	2.62	-69.39
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300025463452	0	55	0.0	-68.71	418.64	2.68	-66.03
C=CCC1(NC(=O)CSC2=NC(=O)NN2)CCN(C(=O)CN=[N+]=[N-])C1	REAL300025463501	0	43	0.0	-22.21	376.50	-2.53	-24.74
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300025463514	0	53	0.0	-73.52	423.62	2.77	-70.75
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300025463514	1	53	0.0	-76.56	418.66	2.38	-74.18
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300025463551	0	53	0.0	-72.37	429.33	3.27	-69.10
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@H+](C)C2CC2)C1	REAL300025463551	1	53	0.0	-67.73	428.94	3.30	-64.43
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CC2C[NH+](C)C2)C1	REAL300025463579	0	53	0.0	-78.91	431.35	2.71	-76.20
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+](C)C)C1	REAL300025463582	0	49	0.0	-76.32	400.06	1.85	-74.47
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025463585	0	52	0.0	-74.90	416.73	2.24	-72.66
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@H+]2CCC2C)C1	REAL300025463594	1	53	0.0	-74.61	431.53	3.00	-71.61
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300025463594	1	53	0.0	-73.20	432.66	3.10	-70.10
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C=CC[NH+](C)C)C1	REAL300025463595	0	53	0.0	-73.75	435.83	3.11	-70.64
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+](CC)CC)C1	REAL300025463601	0	55	0.0	-73.39	436.05	3.21	-70.18
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCC2)C1	REAL300025463602	1	50	0.0	-72.87	411.69	2.42	-70.45
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300025463625	1	53	0.0	-73.55	423.55	2.56	-70.99
C=CCC1(NC(=O)CSC(N)=[NH2+])CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025463665	0	47	0.0	-70.68	408.22	-1.16	-71.84
C=CCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025463693	0	53	0.0	-68.55	425.76	2.99	-65.56
C=CCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025463693	1	53	0.0	-69.83	417.97	2.60	-67.23
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025463815	0	53	0.0	-72.36	419.14	2.75	-69.61
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025463815	1	53	0.0	-72.59	419.11	2.75	-69.84
CCC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1)[NH+](C)C	REAL300025463918	0	55	0.0	-67.84	429.43	3.22	-64.62
CCC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025463923	0	55	0.0	-71.26	438.36	3.61	-67.65
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025463923	1	55	0.0	-71.12	438.36	3.61	-67.51
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025463931	0	53	0.0	-69.93	419.08	2.75	-67.18
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025463931	1	53	0.0	-67.32	424.19	3.26	-64.06
CC[NH+](CC)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025463936	0	55	0.0	-69.97	430.77	3.29	-66.68
CC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025463994	0	55	0.0	-72.79	439.22	3.40	-69.39
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025463994	1	55	0.0	-72.87	439.23	3.39	-69.48
CC[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1)[NH+](C)C	REAL300025463997	0	55	0.0	-68.20	429.39	3.25	-64.95
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025464015	0	49	0.0	-71.15	399.19	2.21	-68.94
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1)[NH+]1CCC1	REAL300025464019	1	53	0.0	-68.84	427.29	3.29	-65.55
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1)C1CC1	REAL300025464026	0	53	0.0	-68.13	428.35	3.60	-64.53
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1)C1CC1	REAL300025464026	1	53	0.0	-68.64	428.48	3.61	-65.03
C[NH+]1CC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC3(CC3)C2)C1	REAL300025464032	0	53	0.0	-71.98	430.63	3.03	-68.95
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1)[NH+](C)C	REAL300025464039	0	52	0.0	-68.90	417.30	2.59	-66.31
[N-]=[N+]=NCC(=O)NC1CN(C(=O)CSC2=NC(=O)NN2)CC2(CC2)C1	REAL300025464042	0	43	0.0	-25.15	376.04	-2.21	-27.36
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1)[NH+](C)C	REAL300025464061	0	52	0.0	-68.90	417.30	2.59	-66.31
O=C(C[NH+]1CCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025464079	1	50	0.0	-71.52	409.43	2.67	-68.85
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1)[NH+](C)C	REAL300025464090	0	52	0.0	-68.95	417.23	2.62	-66.33
CC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC3(CC3)C2)C1	REAL300025464097	1	53	0.0	-72.30	428.99	3.30	-69.00
C[N@H+](CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025464108	1	53	0.0	-71.56	427.21	-0.37	-71.93
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025464108	1	53	0.0	-71.67	427.05	-0.37	-72.04
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025464115	0	52	0.0	-70.91	416.86	2.87	-68.04
CC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025464115	1	52	0.0	-70.88	416.87	2.86	-68.02
C[NH+](C)CC=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025464133	0	53	0.0	-74.90	436.31	3.46	-71.44
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025464139	1	53	0.0	-70.74	423.04	3.04	-67.70
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025464139	1	53	0.0	-69.37	423.73	2.86	-66.51
C[NH+](C)C(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025464153	0	55	0.0	-79.25	426.83	3.31	-75.94
C[NH+](C)C1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC3(CC3)C2)CC1	REAL300025464176	0	53	0.0	-75.89	427.64	3.56	-72.33
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CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300025464648	1	53	0.0	-58.28	420.92	2.65	-55.63
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C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465110	0	53	0.0	-70.97	411.35	-0.98	-71.95
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465110	1	53	0.0	-69.09	416.43	-0.46	-69.55
C[NH+](C)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465185	0	49	0.0	-70.96	389.48	-1.02	-71.98
CC(C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025465189	1	53	0.0	-71.60	421.76	-0.52	-72.12
C[N@H+](CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025465194	0	53	0.0	-67.37	418.62	0.39	-66.98
C[N@@H+](CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025465194	1	53	0.0	-67.40	418.72	0.38	-67.02
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C[C@@H](C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025465206	0	52	0.0	-69.54	407.64	-0.62	-70.16
[N-]=[N+]=NCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025465209	0	43	0.0	-27.15	368.33	-5.93	-33.08
C[C@@H](C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025465226	0	52	0.0	-69.54	407.64	-0.62	-70.16
O=C(C[NH+]1CCC1)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465238	1	50	0.0	-72.85	401.45	-1.10	-73.95
C[C@H](C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025465246	0	52	0.0	-70.50	409.55	-1.12	-71.62
CC1C[NH+](CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025465252	1	53	0.0	-73.67	421.44	-0.36	-74.03
CC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465267	0	52	0.0	-72.10	409.07	-0.86	-72.96
CC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465267	1	52	0.0	-72.07	409.09	-0.85	-72.92
C[NH+](C)CC=CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465282	0	53	0.0	-78.40	426.71	0.25	-78.15
CC[N@@H+]1CCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465286	1	53	0.0	-71.80	415.24	-0.67	-72.47
CC[N@H+]1CCC1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465286	1	53	0.0	-70.93	415.85	-0.88	-71.81
C[NH+](C)C1(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025465315	0	53	0.0	-79.74	412.89	0.06	-79.68
CC1CC[N@@H+]1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465338	1	53	0.0	-68.67	415.28	-0.20	-68.87
CC1CC[N@H+]1CC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465338	1	53	0.0	-71.79	422.67	-0.44	-72.23
C[N@@H+]1CCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465438	0	53	0.0	-74.84	413.38	-0.29	-75.13
C[N@H+]1CCCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465438	1	53	0.0	-77.89	408.13	-0.60	-78.49
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465588	0	53	0.0	-75.59	407.61	-0.62	-76.21
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465588	1	53	0.0	-72.98	415.97	-0.81	-73.79
C[C@@H](C(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025465639	0	52	0.0	-73.58	402.81	-0.82	-74.40
CC1C[NH+](CC(=O)N2C[C@H](O)CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025465660	1	53	0.0	-76.67	419.55	0.03	-76.64
CC[N@H+](C)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465677	0	52	0.0	-74.99	407.19	-0.44	-75.43
CC[N@@H+](C)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465677	1	52	0.0	-74.94	407.14	-0.45	-75.39
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CC[N@@H+]1CCC1C(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465709	1	53	0.0	-77.70	419.31	-0.56	-78.26
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[N-]=[N+]=NCC(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300025465754	0	43	0.0	-28.09	368.32	-6.03	-34.12
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465765	0	53	0.0	-69.19	416.12	-0.77	-69.96
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C[NH+](C)CC(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465821	0	49	0.0	-75.44	389.37	-1.11	-76.55
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CC1CC[N@@H+]1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465831	1	53	0.0	-73.34	417.10	-0.81	-74.15
CC1CC[N@H+]1CC(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465831	1	53	0.0	-73.06	415.13	-0.32	-73.38
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CC(C(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025465855	1	53	0.0	-73.71	416.32	-0.23	-73.94
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465909	0	53	0.0	-69.52	417.32	-0.50	-70.02
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025465909	1	53	0.0	-70.67	409.45	-0.48	-71.15
C[NH+](C)CC(=O)NC1CCSC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025466004	0	47	0.0	-57.23	399.96	2.30	-54.93
[N-]=[N+]=NCC(=O)NC1CCSC12CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025466010	0	41	0.0	-21.31	377.01	-2.08	-23.39
[N-]=[N+]=NCC(=O)N1CC2(C1)SCCC2NC(=O)CSC1=NC(=O)NN1	REAL300025466184	0	41	0.0	-26.74	376.50	-2.59	-29.33
C[NH+](C)CC(=O)N1CC2(C1)SCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025466206	0	47	0.0	-70.00	399.57	1.81	-68.19
CC(NC(=O)C1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466393	0	52	0.0	-74.04	414.70	2.07	-71.97
CC(NC(=O)C1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466393	1	52	0.0	-74.37	414.70	2.06	-72.31
CC(NC(=O)C1C[N@H+](C)CCO1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466417	1	53	0.0	-80.30	425.00	1.87	-78.43
CC(NC(=O)C1C[N@@H+](C)CCO1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466417	1	53	0.0	-86.20	431.98	1.96	-84.24
CC1=[NH+]C=CN1CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466556	1	50	0.0	-66.18	423.93	3.17	-63.01
CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466574	0	55	0.0	-69.45	431.93	2.72	-66.73
CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466574	1	55	0.0	-70.51	437.25	2.76	-67.75
CC(NC(=O)C1([NH+](C)C)CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466594	0	55	0.0	-69.92	427.33	3.06	-66.86
CC(C)[C@@H](C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025466596	0	57	0.0	-65.69	440.16	3.09	-62.60
CC(NC(=O)C[N@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466605	0	55	0.0	-73.20	440.73	3.48	-69.72
CC(NC(=O)C[N@@H+](C)C1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466605	1	55	0.0	-67.25	440.72	3.54	-63.71
CC(NC(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466629	0	55	0.0	-78.67	439.23	3.16	-75.51
CC(NC(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466635	0	55	0.0	-72.39	426.71	2.91	-69.48
CC(NC(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466635	1	55	0.0	-66.76	427.15	2.97	-63.79
CC1=C[NH+]=CN1CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466652	1	50	0.0	-74.27	423.33	3.80	-70.47
CC(NC(=O)CC1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466662	0	55	0.0	-73.23	440.61	3.08	-70.15
CC(NC(=O)CC1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466662	1	55	0.0	-71.75	440.82	3.11	-68.64
CCC(C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025466665	0	54	0.0	-68.85	427.14	2.71	-66.14
CC(NC(=O)CCCC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466679	0	57	0.0	-72.77	459.89	3.68	-69.09
CC(C)C(C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025466682	0	57	0.0	-69.48	443.83	3.62	-65.86
CCC[N@H+](C)CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466683	0	57	0.0	-76.89	456.21	3.44	-73.45
CCC[N@@H+](C)CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466683	1	57	0.0	-71.72	456.13	3.50	-68.22
CCC[N@H+](C)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466684	0	54	0.0	-75.12	433.84	2.91	-72.21
CCC[N@@H+](C)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466684	1	54	0.0	-75.06	433.90	2.92	-72.14
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466699	0	52	0.0	-66.54	420.29	2.57	-63.97
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466699	1	52	0.0	-73.72	414.03	2.04	-71.68
CC[NH+](CC)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466711	0	54	0.0	-67.70	426.12	2.64	-65.06
CC(NC(=O)C1(C[NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466765	0	55	0.0	-75.11	445.25	3.13	-71.98
CC(NC(=O)C1CC[NH+](C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466787	0	55	0.0	-78.67	439.23	3.16	-75.51
CC(C)[C@H](C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025466802	0	57	0.0	-66.05	438.14	3.09	-62.96
CC[N@H+](C)CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466829	0	54	0.0	-70.93	434.59	2.77	-68.16
CC[N@@H+](C)CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466829	1	54	0.0	-76.03	434.71	2.70	-73.33
CC(NC(=O)C[N@@H+]1CCCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466839	0	55	0.0	-66.98	439.54	3.28	-63.70
CC(NC(=O)C[N@H+]1CCCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466839	1	55	0.0	-66.47	432.83	2.85	-63.62
CC(NC(=O)C[N@@H+]1CCC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466840	0	55	0.0	-74.40	440.04	3.25	-71.15
CC(NC(=O)C[N@H+]1CCC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466840	1	55	0.0	-74.09	440.92	3.20	-70.89
CC[C@@H](C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025466842	0	54	0.0	-67.82	424.95	2.56	-65.26
CC(NC(=O)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466878	0	48	0.0	-69.92	394.53	1.55	-68.37
CC(NC(=O)C[N+]1=CN(C)C=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466879	0	50	0.0	-72.76	425.90	5.02	-67.74
CC(NC(=O)C1CCC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466882	0	55	0.0	-68.36	432.98	3.38	-64.98
CC(NC(=O)C1CCC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466882	1	55	0.0	-64.13	432.51	3.32	-60.81
CC(NC(=O)C(C)[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466889	1	52	0.0	-66.76	422.75	2.60	-64.16
CC(NC(=O)C(C)(C)C[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466892	0	57	0.0	-65.17	443.68	3.40	-61.77
CC(NC(=O)C[N@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466899	0	52	0.0	-72.70	424.02	2.91	-69.79
CC(NC(=O)C[N@@H+](C)C1CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466899	1	52	0.0	-66.93	423.80	2.96	-63.97
CC(NC(=O)CC1C[NH+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466910	0	52	0.0	-75.07	426.11	2.33	-72.74
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466922	0	51	0.0	-68.72	412.39	1.97	-66.75
CC(NC(=O)CN=[N+]=[N-])C1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025466929	0	42	0.0	-24.15	371.51	-2.84	-26.99
CC(NC(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466960	0	51	0.0	-68.72	412.39	1.97	-66.75
CC(NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466963	0	55	0.0	-67.86	436.13	3.08	-64.78
CC(NC(=O)[C@H]1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466963	1	55	0.0	-67.56	419.00	2.71	-64.85
CC(NC(=O)C[NH+]1CCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466990	1	49	0.0	-75.01	404.75	1.92	-73.09
CC(NC(=O)C=C1CC[N@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466999	0	53	0.0	-77.24	433.61	3.12	-74.12
CC(NC(=O)C=C1CC[N@@H+](C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466999	1	53	0.0	-73.57	432.39	3.11	-70.46
CC(NC(=O)[C@@H](C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467017	0	51	0.0	-67.34	412.68	1.97	-65.37
CC(NC(=O)C[NH+]1CC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467033	1	52	0.0	-75.09	425.92	2.60	-72.49
CC(NC(=O)C[N@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467046	1	52	0.0	-75.55	422.75	-1.06	-76.61
CC(NC(=O)C[N@@H+](C)CCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467046	1	52	0.0	-69.45	422.36	-1.03	-70.48
CC(CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025467058	0	57	0.0	-74.68	451.67	3.53	-71.15
CC[N@H+](C)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467060	0	51	0.0	-69.07	412.23	2.22	-66.85
CC[N@@H+](C)CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467060	1	51	0.0	-74.66	412.34	2.17	-72.49
CC[N@H+](CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025467070	0	55	0.0	-66.26	443.13	3.58	-62.68
CC[N@@H+](CC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025467070	1	55	0.0	-71.39	439.03	3.27	-68.12
CC[NH+](CC)CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467076	0	57	0.0	-69.86	452.48	3.47	-66.39
CC(NC(=O)C[NH+]1CC(C)(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467084	1	55	0.0	-69.37	445.15	3.17	-66.20
CC(NC(=O)C=CC[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467091	0	52	0.0	-73.25	430.50	2.77	-70.48
CC(CCC(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025467108	0	57	0.0	-70.42	451.89	3.30	-67.12
CC[N@@H+]1CCC1C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467112	1	52	0.0	-69.01	425.82	2.45	-66.56
CC[N@H+]1CCC1C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467112	1	52	0.0	-67.79	419.06	2.19	-65.60
C=CCC(C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025467133	0	55	0.0	-65.44	437.58	3.01	-62.43
CC(NC(=O)C[NH+]1CC2CC2C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467141	0	53	0.0	-69.36	429.84	3.43	-65.93
CCCC(C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025467146	0	57	0.0	-67.50	449.79	3.93	-63.57
CC(NC(=O)C(C)(C)[NH+](C)C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467148	0	54	0.0	-72.65	422.18	2.66	-69.99
CC(NC(=O)C1CCCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467158	0	55	0.0	-72.39	426.71	2.91	-69.48
CC(NC(=O)C1CCCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467158	1	55	0.0	-66.76	427.15	2.97	-63.79
CC(NC(=O)C1([NH+](C)C)CC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467194	0	52	0.0	-78.65	417.02	3.14	-75.51
CC(NC(=O)CC[NH+]1CCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467195	0	55	0.0	-75.60	442.94	3.22	-72.38
CC(NC(=O)C12CC(C1)C[N@@H+]2C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467205	0	53	0.0	-70.32	424.39	2.91	-67.41
CC(NC(=O)C12CC(C1)C[N@H+]2C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467205	1	53	0.0	-78.24	426.71	2.75	-75.49
CC(C[NH+](C)C)C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467240	0	54	0.0	-71.02	432.94	2.82	-68.20
CC(NC(=O)C(C)[NH+]1CC(C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467260	1	55	0.0	-66.69	443.23	3.22	-63.47
CC(NC(=O)C[N@@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467261	1	52	0.0	-68.36	425.76	2.67	-65.69
CC(NC(=O)C[N@H+]1CCC1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467261	1	52	0.0	-67.30	420.28	2.36	-64.94
CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467292	0	55	0.0	-72.42	443.71	3.21	-69.21
CC(CC[NH+](C)C)C(=O)NC(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467293	0	57	0.0	-71.72	454.58	3.43	-68.29
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300025467462	0	52	0.0	-69.87	416.52	2.31	-67.56
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+]2C)C1	REAL300025467462	1	52	0.0	-69.73	414.67	2.25	-67.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300025467488	1	53	0.0	-74.55	427.07	1.71	-72.84
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300025467488	1	53	0.0	-74.89	419.45	1.52	-73.37
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300025467638	0	55	0.0	-77.36	432.78	2.87	-74.49
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300025467638	1	55	0.0	-75.46	440.70	3.08	-72.38
CCC(C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025467641	0	54	0.0	-69.91	421.37	2.43	-67.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCCC[NH+](C)C)C1	REAL300025467651	0	57	0.0	-77.80	460.11	3.70	-74.10
CC(C)C(C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025467654	0	57	0.0	-72.36	438.02	3.34	-69.02
CCC[N@H+](C)CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467655	0	57	0.0	-76.83	456.31	3.51	-73.32
CCC[N@@H+](C)CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467655	1	57	0.0	-76.91	456.34	3.52	-73.39
CCC[N@H+](C)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467656	0	54	0.0	-72.40	433.32	2.80	-69.60
CCC[N@@H+](C)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467656	1	54	0.0	-73.53	433.98	2.93	-70.60
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300025467695	0	55	0.0	-74.29	435.56	3.22	-71.07
CC[N@H+](C)CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467701	0	54	0.0	-76.02	434.84	2.75	-73.27
CC[N@@H+](C)CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467701	1	54	0.0	-76.16	434.84	2.77	-73.39
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025467723	0	55	0.0	-77.57	437.69	2.92	-74.65
CC(C)[C@H](C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025467738	0	57	0.0	-70.36	437.09	2.99	-67.37
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300025467760	0	55	0.0	-75.11	420.99	2.46	-72.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300025467784	0	55	0.0	-70.97	439.91	3.24	-67.73
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCCC2C)C1	REAL300025467784	1	55	0.0	-70.81	439.68	3.18	-67.63
CC(C)[C@@H](C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025467795	0	57	0.0	-70.26	434.73	2.84	-67.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300025467803	0	55	0.0	-72.99	440.67	3.19	-69.80
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300025467803	1	55	0.0	-71.38	439.63	3.11	-68.27
CC[C@@H](C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025467805	0	54	0.0	-71.52	423.07	2.47	-69.05
CC1=[NH+]C=CN1CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467842	1	50	0.0	-70.81	423.11	3.09	-67.72
CC1=C[NH+]=CN1CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467860	1	50	0.0	-72.33	423.85	3.73	-68.60
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300025467861	0	55	0.0	-75.91	429.51	2.33	-73.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300025467861	1	55	0.0	-72.98	434.83	2.84	-70.14
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300025467891	0	55	0.0	-70.57	440.22	3.37	-67.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300025467891	1	55	0.0	-70.19	440.31	3.38	-66.81
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025467897	0	55	0.0	-77.57	437.69	2.92	-74.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300025467910	0	52	0.0	-69.54	416.50	2.34	-67.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300025467910	1	52	0.0	-73.83	413.25	1.96	-71.87
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025467953	0	55	0.0	-70.06	435.27	3.03	-67.03
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025467953	1	55	0.0	-69.37	434.78	2.93	-66.44
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300025467982	0	55	0.0	-72.97	434.78	2.89	-70.08
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300025467982	1	55	0.0	-74.33	434.87	2.97	-71.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025468023	0	51	0.0	-71.56	409.15	1.73	-69.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300025468041	0	55	0.0	-75.50	443.05	3.26	-72.24
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)CCO)C1	REAL300025468046	1	52	0.0	-74.15	422.83	-1.06	-75.21
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)CCO)C1	REAL300025468046	1	52	0.0	-72.64	421.97	-1.18	-73.82
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)C2)C1	REAL300025468089	1	52	0.0	-72.57	425.69	2.56	-70.01
CC[N@H+](C)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468121	0	51	0.0	-72.06	411.82	2.06	-70.00
CC[N@@H+](C)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468121	1	51	0.0	-73.26	412.48	2.18	-71.08
CC(CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025468174	0	57	0.0	-78.60	447.76	3.29	-75.31
CC[N@H+](CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025468179	0	55	0.0	-69.95	443.34	3.55	-66.40
CC[N@@H+](CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025468179	1	55	0.0	-71.97	435.94	3.10	-68.87
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300025468192	0	53	0.0	-75.34	416.39	2.73	-72.61
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300025468192	1	53	0.0	-74.78	415.46	2.55	-72.23
CC(C[NH+](C)C)C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468201	0	54	0.0	-77.65	432.82	2.60	-75.05
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2([NH+](C)C)CC2)C1	REAL300025468207	0	52	0.0	-75.90	415.04	2.16	-73.74
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300025468217	0	51	0.0	-72.81	411.12	1.75	-71.06
CC[N@@H+]1CCC1C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468220	0	52	0.0	-71.91	425.68	2.34	-69.57
CC[N@H+]1CCC1C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468220	1	52	0.0	-73.49	426.23	2.47	-71.02
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300025468231	0	48	0.0	-76.52	402.44	-0.65	-77.17
CCCC(C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025468235	0	57	0.0	-71.91	442.78	3.12	-68.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300025468238	0	54	0.0	-77.72	413.77	1.91	-75.81
CC(CC[NH+](C)C)C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468247	0	57	0.0	-78.01	454.45	3.21	-74.80
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025468306	0	53	0.0	-73.72	430.21	3.39	-70.33
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025468314	0	55	0.0	-70.06	435.27	3.03	-67.03
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025468314	1	55	0.0	-69.37	434.78	2.93	-66.44
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300025468339	0	53	0.0	-76.69	432.83	3.03	-73.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300025468339	1	53	0.0	-76.90	432.73	2.96	-73.94
CC(NC(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)CN=[N+]=[N-])C1	REAL300025468346	0	42	0.0	-25.04	371.57	-2.96	-28.00
CCC1C[NH+](CC(=O)N2CCC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025468362	0	55	0.0	-75.10	447.06	3.28	-71.82
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300025468367	0	52	0.0	-72.03	413.03	1.93	-70.10
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300025468367	1	52	0.0	-70.25	415.99	2.22	-68.03
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300025468407	0	55	0.0	-74.79	443.59	3.13	-71.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCCCC2)C1	REAL300025468448	0	55	0.0	-73.18	436.48	3.39	-69.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300025468449	0	55	0.0	-66.62	428.10	3.07	-63.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300025468449	1	55	0.0	-69.73	437.78	2.94	-66.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300025468450	0	50	0.0	-70.59	425.32	4.91	-65.68
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+](C)C2CC2)C1	REAL300025468460	0	52	0.0	-70.05	423.50	2.81	-67.24
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300025468460	1	52	0.0	-70.57	423.98	2.93	-67.64
CC(CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025468468	0	57	0.0	-77.09	451.44	3.45	-73.64
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2C[NH+](C)C2)C1	REAL300025468517	0	52	0.0	-75.22	426.01	2.36	-72.86
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+](C)C)C1	REAL300025468524	0	48	0.0	-74.02	394.73	1.52	-72.50
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025468532	0	51	0.0	-71.56	409.15	1.73	-69.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300025468546	0	55	0.0	-71.78	443.17	2.98	-68.80
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300025468547	0	52	0.0	-72.93	426.05	2.58	-70.35
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[N@H+]2CCC2C)C1	REAL300025468547	1	52	0.0	-72.93	425.89	2.54	-70.39
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C=CC[NH+](C)C)C1	REAL300025468549	0	52	0.0	-79.29	429.72	2.69	-76.60
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300025468553	1	55	0.0	-72.41	444.77	3.03	-69.38
CC[NH+](CC)CC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468566	0	54	0.0	-70.44	430.16	2.75	-67.69
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C[NH+]2CCC2)C1	REAL300025468571	1	49	0.0	-74.12	404.89	1.95	-72.17
CC[NH+](CC)CCC(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468589	0	57	0.0	-75.61	447.96	3.19	-72.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300025468617	0	52	0.0	-69.81	415.46	1.98	-67.83
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C(C)(C)C[NH+](C)C)C1	REAL300025468621	0	57	0.0	-68.59	431.33	2.68	-65.91
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300025468641	0	55	0.0	-69.73	433.64	2.88	-66.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300025468641	1	55	0.0	-73.72	426.65	2.68	-71.04
C=CCC(C(=O)N1CCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025468660	0	55	0.0	-70.83	434.63	2.86	-67.97
CC(NC(=O)CSC(N)=[NH2+])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468683	0	46	0.0	-71.42	403.06	-1.58	-73.00
CCC1C[NH+](CC(=O)NC(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025468738	1	55	0.0	-75.94	447.31	3.36	-72.58
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468742	0	52	0.0	-73.80	414.66	2.02	-71.78
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468742	1	52	0.0	-66.64	412.26	2.33	-64.31
CC(NC(=O)C[NH+]1CCCCC1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468749	0	55	0.0	-74.67	436.73	3.39	-71.28
CC(NC(=O)C1CC[N@H+](C)C1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468753	0	55	0.0	-67.67	435.57	2.70	-64.97
CC(NC(=O)C1CC[N@@H+](C)C1C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025468753	1	55	0.0	-76.75	437.72	2.80	-73.95
C[N@@H+]1CCCC1C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025468933	0	53	0.0	-68.95	404.35	2.30	-66.65
C[N@H+]1CCCC1C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025468933	1	53	0.0	-68.97	404.42	2.33	-66.64
CCC(C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025469027	0	55	0.0	-68.59	417.20	2.92	-65.67
CCC[N@H+](C)CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469031	0	55	0.0	-71.83	423.87	3.17	-68.66
CCC[N@@H+](C)CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469031	1	55	0.0	-71.85	423.82	3.18	-68.67
C[N@@H+]1CCC[C@@H]1C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469037	0	53	0.0	-73.04	404.42	2.30	-70.74
C[N@H+]1CCC[C@@H]1C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469037	1	53	0.0	-67.71	409.53	2.84	-64.87
CC[NH+](CC)CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469040	0	55	0.0	-70.45	416.18	2.84	-67.61
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CC[N@@H+](C)CCC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469082	1	55	0.0	-72.53	424.67	2.97	-69.56
CC[C@@H](C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025469085	0	55	0.0	-68.08	418.76	3.35	-64.73
C[NH+](C)CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469100	0	49	0.0	-71.66	384.59	1.77	-69.89
CC(C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025469104	1	53	0.0	-69.41	412.68	2.86	-66.55
C[N@H+](CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025469111	0	53	0.0	-68.85	413.67	3.17	-65.68
C[N@@H+](CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025469111	1	53	0.0	-69.55	414.01	3.18	-66.37
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C[C@@H](C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025469123	0	52	0.0	-71.04	402.66	2.18	-68.86
[N-]=[N+]=NCC(=O)NC12CCC(CC1)N(C(=O)CSC1=NC(=O)NN1)C2	REAL300025469126	0	43	0.0	-23.33	361.60	-2.65	-25.98
C[C@@H](C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025469142	0	52	0.0	-71.04	402.66	2.18	-68.86
C[C@H](C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025469166	0	52	0.0	-68.79	402.61	2.21	-66.58
CC1C[NH+](CC(=O)NC23CCC(CC2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025469173	1	53	0.0	-71.81	415.84	2.85	-68.96
C[N@H+](CCO)CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469183	1	53	0.0	-72.86	412.68	-0.80	-73.66
C[N@@H+](CCO)CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469183	1	53	0.0	-72.66	412.49	-0.81	-73.47
CC[N@H+](C)CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469188	0	52	0.0	-71.38	402.24	2.45	-68.93
CC[N@@H+](C)CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469188	1	52	0.0	-71.32	402.19	2.43	-68.89
C[NH+](C)CC=CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469203	0	53	0.0	-75.43	421.81	3.03	-72.40
CC[N@@H+]1CCC1C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469208	1	53	0.0	-71.04	416.13	2.73	-68.31
CC[N@H+]1CCC1C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469208	1	53	0.0	-70.67	416.08	2.77	-67.90
CC(C[NH+](C)C)C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469251	0	55	0.0	-72.32	423.00	3.04	-69.28
CC1CC[N@@H+]1CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469261	1	53	0.0	-70.06	415.77	2.84	-67.22
CC1CC[N@H+]1CC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469261	1	53	0.0	-70.89	415.80	2.84	-68.05
C[N@@H+]1CCCC1C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469373	0	53	0.0	-72.38	402.75	2.20	-70.18
C[N@H+]1CCCC1C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469373	1	53	0.0	-69.89	405.40	2.51	-67.38
CCC(C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2)[NH+](C)C	REAL300025469447	0	55	0.0	-71.75	411.36	2.71	-69.04
CCC[N@H+](C)CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469451	0	55	0.0	-61.33	423.57	3.11	-58.22
CCC[N@@H+](C)CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469451	1	55	0.0	-61.21	423.68	3.12	-58.09
CC[N@H+](C)CCC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469468	0	55	0.0	-63.55	424.56	2.93	-60.62
CC[N@@H+](C)CCC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469468	1	55	0.0	-63.73	424.64	2.94	-60.79
CC[C@@H](C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2)[NH+](C)C	REAL300025469509	0	55	0.0	-70.61	410.97	2.56	-68.05
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469555	0	53	0.0	-72.44	402.52	2.20	-70.24
C[N@H+]1CCC[C@@H]1C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469555	1	53	0.0	-71.25	408.59	2.51	-68.74
C[C@@H](C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2)[NH+](C)C	REAL300025469610	0	52	0.0	-71.95	399.88	2.03	-69.92
C[N@H+](CCO)CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469620	1	53	0.0	-61.19	412.42	-0.87	-62.06
C[N@@H+](CCO)CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469620	1	53	0.0	-61.81	412.20	-0.88	-62.69
CC1C[NH+](CC(=O)N2CC3(NC(=O)CSC4=NNC(=O)[N-]4)CCC2CC3)C1	REAL300025469636	1	53	0.0	-74.18	415.66	2.82	-71.36
CC[N@H+](C)CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469654	0	52	0.0	-61.00	402.19	2.37	-58.63
CC[N@@H+](C)CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469654	1	52	0.0	-60.95	402.07	2.37	-58.58
CC(C[NH+](C)C)C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469687	0	55	0.0	-75.63	418.84	2.67	-72.96
C[NH+](C)C1(C(=O)N2CC3(NC(=O)CSC4=NNC(=O)[N-]4)CCC2CC3)CC1	REAL300025469690	0	53	0.0	-74.17	404.20	2.15	-72.02
C[C@H](C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2)[NH+](C)C	REAL300025469694	0	52	0.0	-72.06	399.30	1.96	-70.10
CC[N@@H+]1CCC1C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469697	1	53	0.0	-73.27	415.00	2.62	-70.65
CC[N@H+]1CCC1C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469697	1	53	0.0	-72.92	414.78	2.65	-70.27
C[NH+](C)C(C)(C)C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469706	0	55	0.0	-73.43	403.30	2.15	-71.28
[N-]=[N+]=NCC(=O)N1CC2(NC(=O)CSC3=NC(=O)NN3)CCC1CC2	REAL300025469755	0	43	0.0	-22.80	361.42	-2.71	-25.51
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469768	0	53	0.0	-70.26	405.07	2.56	-67.70
C[N@H+]1CCC[C@H]1C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469768	1	53	0.0	-72.33	402.88	2.23	-70.10
C[N@H+](CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2)C1CC1	REAL300025469805	0	53	0.0	-70.96	413.71	3.13	-67.83
C[N@@H+](CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2)C1CC1	REAL300025469805	1	53	0.0	-71.03	413.71	3.13	-67.90
C[NH+]1CC(CC(=O)N2CC3(NC(=O)CSC4=NNC(=O)[N-]4)CCC2CC3)C1	REAL300025469833	0	53	0.0	-74.42	415.88	2.56	-71.86
C[NH+](C)CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469836	0	49	0.0	-62.07	384.61	1.70	-60.37
C[C@@H](C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2)[NH+](C)C	REAL300025469839	0	52	0.0	-71.95	399.88	2.03	-69.92
CC1CC[N@@H+]1CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469848	1	53	0.0	-72.86	415.88	2.81	-70.05
CC1CC[N@H+]1CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469848	1	53	0.0	-71.74	410.32	2.53	-69.21
C[NH+](C)CC=CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469849	0	53	0.0	-68.16	419.46	2.91	-65.25
CC[NH+](CC)CC(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025469855	0	55	0.0	-72.33	415.86	2.79	-69.54
O=C(CSC1=NNC(=O)[N-]1)NC12CCC(CC1)N(C(=O)C[NH+]1CCC1)C2	REAL300025469856	1	50	0.0	-74.28	394.62	2.19	-72.09
CC(C(=O)N1CC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2)[NH+]1CCC1	REAL300025469879	1	53	0.0	-71.64	411.75	2.55	-69.09
NC(=[NH2+])SCC(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469919	0	47	0.0	-73.75	392.51	-1.28	-75.03
C[N@@H+]1CCC[C@H]1C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469947	0	53	0.0	-68.51	410.29	2.83	-65.68
C[N@H+]1CCC[C@H]1C(=O)NC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025469947	1	53	0.0	-73.13	404.44	2.30	-70.83
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1	REAL300025470065	0	52	0.0	-71.69	413.20	2.60	-69.09
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1)[NH+](C)C	REAL300025470070	0	55	0.0	-69.42	431.14	2.98	-66.44
[N-]=[N+]=NCC(=O)NC1CN(C(=O)CSC2=NC(=O)NN2)CC2(CCC2)C1	REAL300025470073	0	46	0.0	-25.08	388.59	-1.88	-26.96
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1)[NH+](C)C	REAL300025470083	0	55	0.0	-69.42	431.14	2.98	-66.44
O=C(C[NH+]1CCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1	REAL300025470091	1	53	0.0	-72.01	423.41	3.06	-68.95
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1)[NH+](C)C	REAL300025470096	0	55	0.0	-70.71	431.17	2.99	-67.72
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1	REAL300025470108	0	55	0.0	-71.41	430.85	3.26	-68.15
CC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1	REAL300025470108	1	55	0.0	-71.43	430.84	3.25	-68.18
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1)[NH+](C)C	REAL300025470254	0	55	0.0	-57.89	429.17	2.85	-55.04
CC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1	REAL300025470273	0	55	0.0	-59.25	430.84	3.15	-56.10
CC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1	REAL300025470273	1	55	0.0	-59.16	430.84	3.15	-56.01
C[C@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1)[NH+](C)C	REAL300025470286	0	55	0.0	-59.97	429.41	2.82	-57.15
[N-]=[N+]=NCC(=O)N1CC(NC(=O)CSC2=NC(=O)NN2)CC2(CCC2)C1	REAL300025470311	0	46	0.0	-22.82	390.09	-1.93	-24.75
C[NH+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1	REAL300025470342	0	52	0.0	-60.42	413.11	2.47	-57.95
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1)[NH+](C)C	REAL300025470345	0	55	0.0	-57.89	429.17	2.85	-55.04
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[NH+]2CCC2)CC2(CCC2)C1	REAL300025470352	1	53	0.0	-59.41	423.41	2.94	-56.47
C[NH+](C)CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025470483	0	52	0.0	-59.55	395.92	3.42	-56.13
C[C@@H](C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025470488	0	55	0.0	-58.09	414.24	4.00	-54.09
[N-]=[N+]=NCC(=O)NC12CCCC1N(C(=O)CSC1=NC(=O)NN1)CCC2	REAL300025470491	0	46	0.0	-20.32	373.04	-0.79	-21.11
C[C@@H](C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025470498	0	55	0.0	-58.09	414.24	4.00	-54.09
C[C@H](C(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025470510	0	55	0.0	-58.00	413.96	3.99	-54.01
CC[N@H+](C)CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025470519	0	55	0.0	-58.96	413.69	4.11	-54.85
CC[N@@H+](C)CC(=O)NC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025470519	1	55	0.0	-58.99	413.70	4.12	-54.87
C[C@@H](C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12)[NH+](C)C	REAL300025470649	0	55	0.0	-65.83	412.96	3.89	-61.94
CC[N@H+](C)CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300025470667	0	55	0.0	-68.77	413.74	4.13	-64.64
CC[N@@H+](C)CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300025470667	1	55	0.0	-68.92	413.75	4.14	-64.78
C[C@H](C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12)[NH+](C)C	REAL300025470676	0	55	0.0	-65.21	411.59	3.77	-61.44
[N-]=[N+]=NCC(=O)N1CCCC2(NC(=O)CSC3=NC(=O)NN3)CCCC12	REAL300025470698	0	46	0.0	-21.35	373.08	-0.89	-22.24
C[NH+](C)CC(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300025470723	0	52	0.0	-70.20	396.54	3.58	-66.62
C[C@@H](C(=O)N1CCCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12)[NH+](C)C	REAL300025470726	0	55	0.0	-65.83	412.96	3.89	-61.94
O=C(CSC1=NNC(=O)[N-]1)NC12CCCC1N(C(=O)C[NH+]1CCC1)CCC2	REAL300025470732	1	53	0.0	-68.26	406.28	3.84	-64.42
C[N@@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025470906	0	49	0.0	-72.16	392.02	1.50	-70.66
C[N@H+]1CCCC1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025470906	1	49	0.0	-69.43	392.06	1.51	-67.92
CC1=[NH+]C=CN1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471035	1	47	0.0	-68.54	401.48	2.57	-65.97
CC1=C[NH+]=CN1CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471101	1	47	0.0	-70.04	401.82	3.30	-66.74
CCC(C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F)[NH+](C)C	REAL300025471110	0	51	0.0	-68.71	405.78	2.56	-66.15
CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471123	0	51	0.0	-71.60	411.27	2.37	-69.23
CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471123	1	51	0.0	-71.50	411.30	2.37	-69.13
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471134	0	49	0.0	-72.29	392.02	1.50	-70.79
C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471134	1	49	0.0	-68.21	397.81	2.01	-66.20
CC[NH+](CC)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471144	0	51	0.0	-69.74	403.62	2.04	-67.70
CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471240	0	51	0.0	-73.52	412.14	2.16	-71.36
CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471240	1	51	0.0	-73.64	412.14	2.15	-71.49
CC[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F)[NH+](C)C	REAL300025471246	0	51	0.0	-67.74	402.68	1.94	-65.80
C[NH+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471275	0	45	0.0	-71.91	372.04	0.96	-70.95
CN1C=C[N+](CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@H]2F)=C1	REAL300025471276	0	47	0.0	-69.82	403.28	4.47	-65.35
C[N@H+](CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F)C1CC1	REAL300025471292	0	49	0.0	-68.60	401.33	2.36	-66.24
C[N@@H+](CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F)C1CC1	REAL300025471292	1	49	0.0	-68.99	401.46	2.37	-66.62
C[NH+]1CC(CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@H]2F)C1	REAL300025471301	0	49	0.0	-72.24	403.46	1.77	-70.47
C[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F)[NH+](C)C	REAL300025471310	0	48	0.0	-69.26	390.15	1.36	-67.90
[N-]=[N+]=NCC(=O)N[C@H]1CN(C(=O)CSC2=NC(=O)NN2)CC[C@H]1F	REAL300025471316	0	39	0.0	-24.75	349.03	-3.45	-28.20
C[C@@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F)[NH+](C)C	REAL300025471341	0	48	0.0	-69.26	390.15	1.36	-67.90
C[N@@H+]1CCC(=CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@H]2F)C1	REAL300025471374	0	50	0.0	-75.38	410.90	2.49	-72.89
C[N@H+]1CCC(=CC(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@H]2F)C1	REAL300025471374	1	50	0.0	-75.63	409.94	2.53	-73.10
C[C@H](C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F)[NH+](C)C	REAL300025471388	0	48	0.0	-70.78	390.18	1.37	-69.41
C[N@H+](CCO)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471411	1	49	0.0	-71.96	400.12	-1.61	-73.57
C[N@@H+](CCO)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471411	1	49	0.0	-72.51	399.94	-1.61	-74.12
CC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471423	0	48	0.0	-71.23	389.80	1.63	-69.60
CC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471423	1	48	0.0	-71.30	389.77	1.63	-69.67
C[NH+](C)CC=CC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471447	0	49	0.0	-76.32	409.26	2.21	-74.11
O=C(C[NH+]1CC2CC2C1)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471480	1	50	0.0	-71.81	407.39	2.84	-68.97
C[NH+](C)C(C)(C)C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471485	0	51	0.0	-76.55	399.49	2.10	-74.45
C[NH+](C)C1(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@H]2F)CC1	REAL300025471520	0	49	0.0	-77.25	395.93	1.96	-75.29
C[N@@H+]1CC2CC1(C(=O)N[C@H]1CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@H]1F)C2	REAL300025471529	1	50	0.0	-72.45	402.91	2.27	-70.18
C[N@H+]1CC2CC1(C(=O)N[C@H]1CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@H]1F)C2	REAL300025471529	1	50	0.0	-74.96	402.96	2.06	-72.90
CC(C[NH+](C)C)C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025471560	0	51	0.0	-73.59	410.48	2.24	-71.35
C[N@@H+]1CCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025471741	0	49	0.0	-69.71	394.25	1.60	-68.11
C[N@H+]1CCCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025471741	1	49	0.0	-71.06	390.82	1.39	-69.67
CCC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025471885	0	51	0.0	-71.73	402.07	1.82	-69.91
CCC[N@H+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025471894	0	51	0.0	-74.24	411.67	2.26	-71.98
CCC[N@@H+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025471894	1	51	0.0	-74.14	411.67	2.26	-71.88
CC[N@H+](C)CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025471926	0	51	0.0	-75.88	412.54	2.11	-73.77
CC[N@@H+](C)CCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025471926	1	51	0.0	-75.89	412.54	2.11	-73.78
CC[C@@H](C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025472003	0	51	0.0	-69.84	400.66	1.74	-68.10
CC1=[NH+]C=CN1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472034	1	47	0.0	-70.65	401.46	2.46	-68.19
CC1=C[NH+]=CN1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472050	1	47	0.0	-73.31	401.80	3.20	-70.11
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472085	0	49	0.0	-73.40	391.26	1.37	-72.03
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472085	1	49	0.0	-70.60	394.23	1.67	-68.93
C[C@@H](C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025472179	0	48	0.0	-71.60	388.87	1.23	-70.37
C[N@H+](CCO)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472197	1	49	0.0	-74.59	400.50	-1.72	-76.31
C[N@@H+](CCO)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472197	1	49	0.0	-74.61	400.30	-1.73	-76.34
CC1C[NH+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025472231	1	49	0.0	-74.24	403.72	1.94	-72.30
CC[N@H+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472259	0	48	0.0	-73.87	390.17	1.51	-72.36
CC[N@@H+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472259	1	48	0.0	-73.84	390.17	1.51	-72.33
C[N@@H+]1CC2CC1(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025472310	0	50	0.0	-74.97	399.21	1.88	-73.09
C[N@H+]1CC2CC1(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025472310	1	50	0.0	-73.43	399.98	1.86	-71.57
CC(C[NH+](C)C)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472318	0	51	0.0	-71.12	409.73	1.97	-69.15
C[NH+](C)C1(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025472323	0	49	0.0	-75.93	394.47	1.41	-74.52
C[C@H](C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025472332	0	48	0.0	-72.15	388.68	1.19	-70.96
CC[N@@H+]1CCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472335	1	49	0.0	-71.44	396.43	1.54	-69.90
CC[N@H+]1CCC1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472335	1	49	0.0	-70.93	395.45	1.48	-69.45
NC1=CC=[NH+]C=C1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472345	0	45	0.0	-75.88	383.92	-1.16	-77.04
C[NH+](C)C(C)(C)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472350	0	51	0.0	-73.16	393.75	1.25	-71.91
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CN(C(=O)C[NH+]2CC3CC3C2)CC[C@H]1F	REAL300025472403	0	50	0.0	-74.33	407.25	2.67	-71.66
C[N@@H+]1CCC(=CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025472425	0	50	0.0	-79.33	408.99	2.44	-76.89
C[N@H+]1CCC(=CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025472425	1	50	0.0	-79.32	409.85	2.41	-76.91
[N-]=[N+]=NCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300025472431	0	39	0.0	-26.32	349.02	-3.55	-29.87
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472446	0	49	0.0	-69.68	394.30	1.61	-68.07
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472446	1	49	0.0	-72.00	391.14	1.38	-70.62
CN1C=C[N+](CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025472506	0	47	0.0	-71.75	403.30	4.37	-67.38
C[N@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025472514	0	49	0.0	-70.91	401.72	2.24	-68.67
C[N@@H+](CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025472514	1	49	0.0	-71.53	401.90	2.25	-69.28
C[NH+]1CC(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025472557	0	49	0.0	-74.74	403.74	1.71	-73.03
C[NH+](C)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472562	0	45	0.0	-74.57	372.45	0.84	-73.73
C[C@@H](C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025472568	0	48	0.0	-71.60	388.87	1.23	-70.37
CC1CC[N@@H+]1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472581	1	49	0.0	-71.74	398.26	1.65	-70.09
CC1CC[N@H+]1CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472581	1	49	0.0	-71.68	398.24	1.66	-70.02
C[NH+](C)CC=CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472582	0	49	0.0	-80.89	408.14	2.11	-78.78
CC[NH+](CC)CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025472595	0	51	0.0	-72.30	408.48	2.20	-70.10
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CN(C(=O)C[NH+]2CCC2)CC[C@H]1F	REAL300025472600	1	46	0.0	-74.51	382.55	1.26	-73.25
CC(C(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025472635	1	49	0.0	-71.29	391.27	1.39	-69.90
NC(=[NH2+])SCC(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025472686	0	43	0.0	-74.54	379.96	-2.09	-76.63
C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025472733	0	49	0.0	-67.51	397.71	1.91	-65.60
C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[C@H]1F	REAL300025472733	1	49	0.0	-69.34	392.02	1.49	-67.85
C[NH+](C)CC(=O)NC1C2COCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025472861	0	50	0.0	-76.66	391.34	1.51	-75.15
C[C@@H](C(=O)NC1C2COCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025472866	0	53	0.0	-74.77	410.15	1.83	-72.94
[N-]=[N+]=NCC(=O)NC1C2COCC1CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025472869	0	44	0.0	-23.73	368.31	-2.89	-26.62
C[C@@H](C(=O)NC1C2COCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025472876	0	53	0.0	-74.77	410.15	1.83	-72.94
C[C@H](C(=O)NC1C2COCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025472888	0	53	0.0	-74.13	410.18	1.85	-72.28
CC[N@H+](C)CC(=O)NC1C2COCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025472897	0	53	0.0	-75.95	409.13	2.18	-73.77
CC[N@@H+](C)CC(=O)NC1C2COCC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025472897	1	53	0.0	-76.00	409.77	2.10	-73.90
C[C@@H](C(=O)N1CC2COCC(C1)C2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025473028	0	53	0.0	-72.09	408.37	1.71	-70.38
CC[N@H+](C)CC(=O)N1CC2COCC(C1)C2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025473047	0	53	0.0	-68.00	409.03	2.08	-65.92
CC[N@@H+](C)CC(=O)N1CC2COCC(C1)C2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025473047	1	53	0.0	-74.44	409.07	2.11	-72.33
C[C@H](C(=O)N1CC2COCC(C1)C2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025473060	0	53	0.0	-72.24	407.48	1.73	-70.51
[N-]=[N+]=NCC(=O)N1CC2COCC(C1)C2NC(=O)CSC1=NC(=O)NN1	REAL300025473084	0	44	0.0	-24.11	368.27	-2.98	-27.09
C[NH+](C)CC(=O)N1CC2COCC(C1)C2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025473111	0	50	0.0	-68.94	391.31	1.42	-67.52
C[C@@H](C(=O)N1CC2COCC(C1)C2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025473114	0	53	0.0	-72.09	408.37	1.71	-70.38
O=C(CSC1=NNC(=O)[N-]1)NC1C2COCC1CN(C(=O)C[NH+]1CCC1)C2	REAL300025473121	1	51	0.0	-68.54	401.61	1.87	-66.67
C[NH+](C)CC(=O)NCC1(F)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025473364	0	48	0.0	-72.35	391.19	1.68	-70.67
C[C@@H](C(=O)NCC1(F)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025473375	0	51	0.0	-70.32	409.35	2.09	-68.23
[N-]=[N+]=NCC(=O)NCC1(F)CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025473378	0	42	0.0	-24.02	368.15	-2.73	-26.75
C[C@@H](C(=O)NCC1(F)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025473392	0	51	0.0	-70.32	409.35	2.09	-68.23
C[C@H](C(=O)NCC1(F)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025473410	0	51	0.0	-70.26	409.62	2.10	-68.16
CC[N@H+](C)CC(=O)NCC1(F)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025473426	0	51	0.0	-71.58	408.92	2.34	-69.24
CC[N@@H+](C)CC(=O)NCC1(F)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025473426	1	51	0.0	-71.57	408.92	2.35	-69.22
C[C@@H](C(=O)N1CCC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025473714	0	51	0.0	-71.13	407.90	1.99	-69.14
CC[N@H+](C)CC(=O)N1CCC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025473742	0	51	0.0	-72.88	408.91	2.24	-70.64
CC[N@@H+](C)CC(=O)N1CCC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025473742	1	51	0.0	-72.94	408.91	2.26	-70.68
C[C@H](C(=O)N1CCC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025473767	0	51	0.0	-71.34	407.19	1.92	-69.42
[N-]=[N+]=NCC(=O)N1CCC(F)(CNC(=O)CSC2=NC(=O)NN2)CC1	REAL300025473805	0	42	0.0	-25.09	368.45	-2.82	-27.91
C[NH+](C)CC(=O)N1CCC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025473855	0	48	0.0	-73.71	391.49	1.58	-72.13
C[C@@H](C(=O)N1CCC(F)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025473858	0	51	0.0	-71.13	407.90	1.99	-69.14
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025473865	1	49	0.0	-73.36	401.58	2.00	-71.36
C[NH+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C1	REAL300025473971	0	55	0.0	-75.53	424.87	3.63	-71.90
[N-]=[N+]=NCC(=O)NC1CCC2CN(C(=O)CSC3=NC(=O)NN3)CCC2C1	REAL300025473976	0	49	0.0	-24.69	401.81	-0.78	-25.47
[N-]=[N+]=NCC(=O)N1CCC2CC(NC(=O)CSC3=NC(=O)NN3)CCC2C1	REAL300025474040	0	49	0.0	-25.11	401.82	-0.88	-25.99
C[NH+](C)CC(=O)N1CCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)CCC2C1	REAL300025474047	0	55	0.0	-74.98	424.84	3.52	-71.46
C[N@@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474216	0	50	0.0	-75.04	406.90	2.72	-72.32
C[N@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474216	1	50	0.0	-72.87	412.34	3.22	-69.65
C[N@@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474240	1	51	0.0	-80.93	414.48	2.49	-78.44
C[N@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474240	1	51	0.0	-80.25	415.46	2.45	-77.80
CC1=[NH+]C=CN1CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474379	1	48	0.0	-73.10	417.20	3.85	-69.25
C[C@@H]1[C@H](C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025474398	0	53	0.0	-77.82	425.46	3.67	-74.15
C[C@@H]1[C@H](C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025474398	1	53	0.0	-79.20	431.35	3.49	-75.71
C[NH+](C)C1(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CCC1	REAL300025474419	0	53	0.0	-78.84	419.62	3.30	-75.54
CC(C)[C@@H](C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025474421	0	55	0.0	-74.12	432.63	3.84	-70.28
C[N@H+](CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300025474431	0	53	0.0	-73.76	434.05	4.18	-69.58
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300025474431	1	53	0.0	-74.06	433.95	4.17	-69.89
C[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025474457	0	53	0.0	-80.75	433.97	3.92	-76.83
C[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474463	0	53	0.0	-73.23	416.24	3.32	-69.91
C[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474463	1	53	0.0	-73.85	417.71	3.47	-70.38
CC1=C[NH+]=CN1CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474480	1	48	0.0	-75.92	417.59	4.55	-71.37
C[N@@H+]1CCC(CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474490	0	53	0.0	-78.44	434.62	3.76	-74.68
C[N@H+]1CCC(CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474490	1	53	0.0	-78.86	433.70	3.81	-75.05
CCC(C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025474493	0	52	0.0	-74.65	419.45	3.32	-71.33
C[NH+](C)CCCCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474507	0	55	0.0	-79.23	454.16	4.42	-74.81
CC(C)C(C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025474511	0	55	0.0	-74.87	434.12	4.13	-70.74
CCC[N@H+](C)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474512	0	55	0.0	-78.69	449.42	4.19	-74.50
CCC[N@@H+](C)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474512	1	55	0.0	-78.61	449.43	4.16	-74.45
CCC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474513	0	52	0.0	-75.84	428.02	3.70	-72.14
CCC[N@@H+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474513	1	52	0.0	-75.85	427.06	3.62	-72.23
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474528	0	50	0.0	-75.03	406.84	2.79	-72.24
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474528	1	50	0.0	-72.87	412.31	3.22	-69.65
CC[NH+](CC)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474540	0	52	0.0	-74.03	420.25	3.34	-70.69
C[NH+](C)CC1(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025474594	0	53	0.0	-81.26	428.55	3.75	-77.51
C[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025474618	0	53	0.0	-80.75	433.97	3.92	-76.83
CC(C)[C@H](C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025474633	0	55	0.0	-73.41	432.41	3.79	-69.62
CC[N@H+](C)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474661	0	52	0.0	-77.65	428.89	3.50	-74.15
CC[N@@H+](C)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474661	1	52	0.0	-77.95	427.93	3.44	-74.51
CC1CCC[N@@H+]1CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474672	0	53	0.0	-72.50	426.37	3.57	-68.93
CC1CCC[N@H+]1CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474672	1	53	0.0	-72.78	433.71	3.94	-68.84
CC1CC[N@H+](CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474673	0	53	0.0	-74.87	434.86	4.01	-70.86
CC1CC[N@@H+](CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474673	1	53	0.0	-74.82	433.19	3.88	-70.94
CC[C@@H](C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025474675	0	52	0.0	-72.93	419.47	3.26	-69.67
C[NH+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474712	0	46	0.0	-76.30	387.83	2.20	-74.10
CN1C=C[N+](CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=C1	REAL300025474713	0	48	0.0	-73.86	420.03	5.79	-68.07
C[N@@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474716	0	53	0.0	-77.58	424.66	3.76	-73.82
C[N@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474716	1	53	0.0	-78.08	423.81	3.64	-74.44
CC(C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025474724	0	50	0.0	-74.20	410.82	2.91	-71.29
C[NH+](C)CC(C)(C)C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474727	0	55	0.0	-76.61	431.38	3.48	-73.13
C[N@H+](CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025474734	0	50	0.0	-72.86	418.08	3.70	-69.16
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025474734	1	50	0.0	-73.58	417.25	3.63	-69.95
C[NH+]1CC(CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474745	0	50	0.0	-77.71	419.12	3.03	-74.68
C[C@@H](C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025474757	0	49	0.0	-74.85	405.11	2.57	-72.28
[N-]=[N+]=NCC(=O)N1CC(C2CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025474764	0	40	0.0	-27.91	364.79	-2.20	-30.11
C[N@H+](CCO)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474796	0	53	0.0	-77.81	438.27	0.22	-77.59
C[N@@H+](CCO)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474796	1	53	0.0	-77.34	438.26	0.19	-77.15
C[C@@H](C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025474797	0	49	0.0	-74.85	405.11	2.57	-72.28
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474800	0	53	0.0	-73.61	416.64	3.42	-70.19
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474800	1	53	0.0	-72.93	429.36	3.79	-69.14
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C[NH+]3CCC3)C2)C1	REAL300025474827	1	47	0.0	-76.24	398.01	2.67	-73.57
C[N@@H+]1CCC(=CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474837	0	51	0.0	-80.40	425.50	3.79	-76.61
C[N@H+]1CCC(=CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474837	1	51	0.0	-80.26	425.38	3.80	-76.46
C[NH+](C)CCOCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474847	0	53	0.0	-76.74	443.69	3.31	-73.43
C[C@H](C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025474858	0	49	0.0	-74.67	406.22	2.74	-71.93
CC1C[NH+](CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474875	1	50	0.0	-75.87	420.07	3.36	-72.51
C[N@H+](CCO)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474888	1	50	0.0	-76.56	415.91	-0.37	-76.93
C[N@@H+](CCO)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474888	1	50	0.0	-76.25	416.66	-0.29	-76.54
CC(CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C[NH+](C)C	REAL300025474900	0	55	0.0	-78.34	445.98	4.29	-74.05
CC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474902	0	49	0.0	-75.55	405.56	2.87	-72.68
CC[N@@H+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474902	1	49	0.0	-75.49	405.56	2.88	-72.61
CC[N@H+](CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025474912	0	53	0.0	-72.23	436.42	4.23	-68.00
CC[N@@H+](CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025474912	1	53	0.0	-72.78	434.89	4.23	-68.55
CC[NH+](CC)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474918	0	55	0.0	-76.83	445.78	4.13	-72.70
CC1(C)C[NH+](CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025474926	1	53	0.0	-75.95	439.38	3.88	-72.07
C[NH+](C)CC=CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474933	0	50	0.0	-81.32	424.92	3.45	-77.87
COCC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474942	1	53	0.0	-76.08	438.91	2.11	-73.97
COCC[N@@H+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474942	1	53	0.0	-76.55	439.13	2.12	-74.43
CC(CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025474951	0	55	0.0	-80.69	441.47	3.94	-76.75
CC[N@@H+]1CCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474955	0	50	0.0	-75.66	419.31	3.18	-72.48
CC[N@H+]1CCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474955	1	50	0.0	-73.74	412.18	2.92	-70.82
C=CCC(C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025474980	0	53	0.0	-74.49	434.14	3.88	-70.61
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C[NH+]3CC4CC4C3)C2)C1	REAL300025474988	0	51	0.0	-75.76	423.56	4.08	-71.68
CCCC(C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025474994	0	55	0.0	-75.39	441.97	4.13	-71.26
C[NH+](C)C(C)(C)C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025474996	0	52	0.0	-79.84	410.26	3.26	-76.58
C[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475006	0	53	0.0	-73.23	416.24	3.32	-69.91
C[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475006	1	53	0.0	-73.85	417.71	3.47	-70.38
C[NH+](C)C1(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025475043	0	50	0.0	-78.36	414.27	3.16	-75.20
O=C(CC[NH+]1CCCC1)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475044	0	53	0.0	-77.27	436.16	3.94	-73.33
C[N@@H+]1CC2CC1(C(=O)N1CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C1)C2	REAL300025475054	0	51	0.0	-79.18	417.44	3.42	-75.76
C[N@H+]1CC2CC1(C(=O)N1CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C1)C2	REAL300025475054	1	51	0.0	-79.49	412.98	3.31	-76.18
CC(C[NH+](C)C)C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475090	0	52	0.0	-77.98	423.95	3.26	-74.72
CC(C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CC(C)C1	REAL300025475113	0	53	0.0	-73.95	439.41	3.80	-70.15
CC1CC[N@@H+]1CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475114	0	50	0.0	-74.61	419.16	3.35	-71.26
CC1CC[N@H+]1CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475114	1	50	0.0	-74.69	418.99	3.33	-71.36
C[NH+](C)CC(O)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475116	0	53	0.0	-81.56	440.31	1.26	-80.30
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025475146	0	53	0.0	-77.79	437.28	3.94	-73.85
CC(CC[NH+](C)C)C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475147	0	55	0.0	-78.86	449.40	3.99	-74.87
C[N@@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475317	0	50	0.0	-75.04	406.90	2.72	-72.32
C[N@H+]1CCCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475317	1	50	0.0	-72.87	412.34	3.22	-69.65
C[N@@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025475343	1	51	0.0	-80.93	414.48	2.49	-78.44
C[N@H+]1CCOC(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025475343	1	51	0.0	-80.25	415.46	2.45	-77.80
C[N@@H+]1CCC(CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025475493	0	53	0.0	-78.44	434.62	3.76	-74.68
C[N@H+]1CCC(CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025475493	1	53	0.0	-78.86	433.70	3.81	-75.05
CCC(C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025475496	0	52	0.0	-74.65	419.45	3.32	-71.33
C[NH+](C)CCCCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475506	0	55	0.0	-79.23	454.16	4.42	-74.81
CC(C)C(C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025475511	0	55	0.0	-74.87	434.12	4.13	-70.74
CCC[N@H+](C)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475512	0	55	0.0	-78.69	449.42	4.19	-74.50
CCC[N@@H+](C)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475512	1	55	0.0	-78.61	449.43	4.16	-74.45
CCC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475513	0	52	0.0	-75.84	428.02	3.70	-72.14
CCC[N@@H+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475513	1	52	0.0	-75.85	427.06	3.62	-72.23
C[NH+](C)CC1(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025475552	0	53	0.0	-81.26	428.55	3.75	-77.51
CC[N@H+](C)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475558	0	52	0.0	-77.65	428.89	3.50	-74.15
CC[N@@H+](C)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475558	1	52	0.0	-77.95	427.93	3.44	-74.51
C[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025475582	0	53	0.0	-80.75	433.97	3.92	-76.83
CC(C)[C@H](C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025475597	0	55	0.0	-73.41	432.41	3.79	-69.62
C[NH+](C)C1(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CCC1	REAL300025475621	0	53	0.0	-78.84	419.62	3.30	-75.54
CC1CCC[N@@H+]1CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475646	0	53	0.0	-72.50	426.37	3.57	-68.93
CC1CCC[N@H+]1CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475646	1	53	0.0	-72.78	433.71	3.94	-68.84
CC(C)[C@@H](C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025475657	0	55	0.0	-74.12	432.63	3.84	-70.28
CC1CC[N@H+](CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025475665	0	53	0.0	-74.87	434.86	4.01	-70.86
CC1CC[N@@H+](CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025475665	1	53	0.0	-74.82	433.19	3.88	-70.94
CC[C@@H](C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025475667	0	52	0.0	-72.93	419.47	3.26	-69.67
CC1=[NH+]C=CN1CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475706	1	48	0.0	-73.10	417.20	3.85	-69.25
CC1=C[NH+]=CN1CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475724	1	48	0.0	-75.92	417.59	4.55	-71.37
C[C@@H]1[C@H](C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025475725	0	53	0.0	-77.82	425.46	3.67	-74.15
C[C@@H]1[C@H](C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025475725	1	53	0.0	-79.20	431.35	3.49	-75.71
C[N@H+](CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300025475757	0	53	0.0	-73.76	434.05	4.18	-69.58
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CCC1	REAL300025475757	1	53	0.0	-74.06	433.95	4.17	-69.89
C[NH+]1CCC(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025475764	0	53	0.0	-80.75	433.97	3.92	-76.83
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475777	0	50	0.0	-75.03	406.84	2.79	-72.24
C[N@H+]1CCC[C@@H]1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475777	1	50	0.0	-72.87	412.31	3.22	-69.65
C[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475820	0	53	0.0	-73.23	416.24	3.32	-69.91
C[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475820	1	53	0.0	-73.85	417.71	3.47	-70.38
CC1C(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025475849	0	53	0.0	-77.91	425.71	3.60	-74.31
CC1C(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025475849	1	53	0.0	-77.48	425.64	3.27	-74.21
C[C@@H](C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025475890	0	49	0.0	-74.85	405.11	2.57	-72.28
O=C(CC[NH+]1CCCC1)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475908	0	53	0.0	-77.27	436.16	3.94	-73.33
C[N@H+](CCO)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475913	1	50	0.0	-76.56	415.91	-0.37	-76.93
C[N@@H+](CCO)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475913	1	50	0.0	-76.25	416.66	-0.29	-76.54
CC1C[NH+](CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025475959	1	50	0.0	-75.87	420.07	3.36	-72.51
CC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475993	0	49	0.0	-75.55	405.56	2.87	-72.68
CC[N@@H+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025475993	1	49	0.0	-75.49	405.56	2.88	-72.61
COCC[N@H+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476046	1	53	0.0	-76.08	438.91	2.11	-73.97
COCC[N@@H+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476046	1	53	0.0	-76.55	439.13	2.12	-74.43
CC(CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025476048	0	55	0.0	-80.69	441.47	3.94	-76.75
CC[N@H+](CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025476053	0	53	0.0	-72.23	436.42	4.23	-68.00
CC[N@@H+](CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025476053	1	53	0.0	-72.78	434.89	4.23	-68.55
C[N@@H+]1CC2CC1(C(=O)N1CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C1)C2	REAL300025476066	0	51	0.0	-79.18	417.44	3.42	-75.76
C[N@H+]1CC2CC1(C(=O)N1CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C1)C2	REAL300025476066	1	51	0.0	-79.49	412.98	3.31	-76.18
CC(C[NH+](C)C)C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476075	0	52	0.0	-77.98	423.95	3.26	-74.72
C[NH+](C)C1(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025476081	0	50	0.0	-78.36	414.27	3.16	-75.20
C[C@H](C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025476091	0	49	0.0	-74.67	406.22	2.74	-71.93
CC[N@@H+]1CCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476094	0	50	0.0	-75.66	419.31	3.18	-72.48
CC[N@H+]1CCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476094	1	50	0.0	-73.74	412.18	2.92	-70.82
NC1=CC=[NH+]C=C1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476109	0	46	0.0	-77.99	394.09	0.23	-77.76
CCCC(C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025476113	0	55	0.0	-75.39	441.97	4.13	-71.26
C[NH+](C)C(C)(C)C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476116	0	52	0.0	-79.84	410.26	3.26	-76.58
CC(CC[NH+](C)C)C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476125	0	55	0.0	-78.86	449.40	3.99	-74.87
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C[NH+]3CC4CC4C3)C2)C1	REAL300025476185	0	51	0.0	-75.76	423.56	4.08	-71.68
C[N@@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476195	0	53	0.0	-73.23	416.24	3.32	-69.91
C[N@H+]1CCCCC1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476195	1	53	0.0	-73.85	417.71	3.47	-70.38
C[N@@H+]1CCC(=CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025476223	0	51	0.0	-80.40	425.50	3.79	-76.61
C[N@H+]1CCC(=CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025476223	1	51	0.0	-80.26	425.38	3.80	-76.46
[N-]=[N+]=NCC(=O)N1CC(C2CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025476230	0	40	0.0	-27.91	364.79	-2.20	-30.11
CCC1C[NH+](CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025476246	0	53	0.0	-76.76	441.44	4.12	-72.64
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476251	0	50	0.0	-72.37	411.48	3.11	-69.26
C[N@H+]1CCC[C@H]1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476251	1	50	0.0	-74.98	407.93	2.76	-72.22
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025476294	0	53	0.0	-77.79	437.28	3.94	-73.85
C[NH+](C)CCOCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476311	0	53	0.0	-76.74	443.69	3.31	-73.43
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C[NH+]3CCCCC3)C2)C1	REAL300025476345	0	53	0.0	-75.15	430.53	4.14	-71.01
C[N@@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025476346	0	53	0.0	-77.58	424.66	3.76	-73.82
C[N@H+]1CCCC(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025476346	1	53	0.0	-78.08	423.81	3.64	-74.44
CN1C=C[N+](CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=C1	REAL300025476347	0	48	0.0	-73.86	420.03	5.79	-68.07
C[N@H+](CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025476357	0	50	0.0	-72.86	418.08	3.70	-69.16
C[N@@H+](CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025476357	1	50	0.0	-73.58	417.25	3.63	-69.95
CC(CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C[NH+](C)C	REAL300025476365	0	55	0.0	-78.34	445.98	4.29	-74.05
C[NH+]1CC(CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025476415	0	50	0.0	-77.71	419.12	3.03	-74.68
C[NH+](C)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476422	0	46	0.0	-76.30	387.83	2.20	-74.10
C[N@H+](CCO)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476432	0	53	0.0	-77.81	438.27	0.22	-77.59
C[N@@H+](CCO)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476432	1	53	0.0	-77.34	438.26	0.19	-77.15
C[C@@H](C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025476433	0	49	0.0	-74.85	405.11	2.57	-72.28
CC(C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CC(C)C1	REAL300025476447	0	53	0.0	-73.95	439.41	3.80	-70.15
CC1CC[N@@H+]1CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476448	0	50	0.0	-74.61	419.16	3.35	-71.26
CC1CC[N@H+]1CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476448	1	50	0.0	-74.69	418.99	3.33	-71.36
C[NH+](C)CC=CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476450	0	50	0.0	-81.32	424.92	3.45	-77.87
CC1(C)C[NH+](CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025476454	1	53	0.0	-75.95	439.38	3.88	-72.07
CC[NH+](CC)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476470	0	52	0.0	-74.03	420.25	3.34	-70.69
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C[NH+]3CCC3)C2)C1	REAL300025476475	1	47	0.0	-76.24	398.01	2.67	-73.57
CC[NH+](CC)CCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476495	0	55	0.0	-76.83	445.78	4.13	-72.70
CC(C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025476524	0	50	0.0	-74.20	410.82	2.91	-71.29
C[NH+](C)CC(C)(C)C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476528	0	55	0.0	-76.61	431.38	3.48	-73.13
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476549	0	53	0.0	-73.61	416.64	3.42	-70.19
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476549	1	53	0.0	-72.93	429.36	3.79	-69.14
C[NH+](C)CC(O)CC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476559	0	53	0.0	-81.56	440.31	1.26	-80.30
C=CCC(C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025476571	0	53	0.0	-74.49	434.14	3.88	-70.61
NC(=[NH2+])SCC(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476594	0	44	0.0	-78.58	395.75	-0.84	-79.42
CCC1C[NH+](CC(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025476654	0	53	0.0	-76.76	441.44	4.12	-72.64
C[N@@H+]1CCC[C@H]1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476658	0	50	0.0	-72.37	411.48	3.11	-69.26
C[N@H+]1CCC[C@H]1C(=O)N1CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025476658	1	50	0.0	-74.98	407.93	2.76	-72.22
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C[NH+]3CCCCC3)C2)C1	REAL300025476665	0	53	0.0	-75.15	430.53	4.14	-71.01
CC1C(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@@H+]1C	REAL300025476669	0	53	0.0	-77.91	425.71	3.60	-74.31
CC1C(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC[N@H+]1C	REAL300025476669	1	53	0.0	-77.48	425.64	3.27	-74.21
C[NH+](C)CC(=O)NCC1C2CCC(CC2)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025476818	0	52	0.0	-72.90	403.91	2.54	-70.36
C[C@@H](C(=O)NCC1C2CCC(CC2)N1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025476823	0	55	0.0	-71.34	421.60	2.94	-68.40
[N-]=[N+]=NCC(=O)NCC1C2CCC(CC2)N1C(=O)CSC1=NC(=O)NN1	REAL300025476826	0	46	0.0	-24.50	380.90	-1.91	-26.41
C[C@@H](C(=O)NCC1C2CCC(CC2)N1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025476836	0	55	0.0	-71.34	421.60	2.94	-68.40
O=C(C[NH+]1CCC1)NCC1C2CCC(CC2)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025476844	1	53	0.0	-73.64	414.16	2.90	-70.74
C[C@H](C(=O)NCC1C2CCC(CC2)N1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025476849	0	55	0.0	-72.11	422.25	2.94	-69.17
CC[N@H+](C)CC(=O)NCC1C2CCC(CC2)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025476861	0	55	0.0	-72.46	422.12	3.15	-69.31
CC[N@@H+](C)CC(=O)NCC1C2CCC(CC2)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025476861	1	55	0.0	-72.36	421.71	3.19	-69.17
C[C@@H](C(=O)N1C2CCC(CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025477007	0	55	0.0	-66.54	417.73	3.65	-62.89
CC[N@H+](C)CC(=O)N1C2CCC(CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025477026	0	55	0.0	-72.79	421.64	3.13	-69.66
CC[N@@H+](C)CC(=O)N1C2CCC(CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025477026	1	55	0.0	-72.67	421.64	3.13	-69.54
C[C@H](C(=O)N1C2CCC(CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025477039	0	55	0.0	-64.36	418.10	3.70	-60.66
[N-]=[N+]=NCC(=O)N1C2CCC(CC2)C1CNC(=O)CSC1=NC(=O)NN1	REAL300025477064	0	46	0.0	-24.42	381.15	-1.99	-26.41
C[NH+](C)CC(=O)N1C2CCC(CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025477095	0	52	0.0	-72.60	404.18	2.41	-70.19
C[C@@H](C(=O)N1C2CCC(CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025477098	0	55	0.0	-66.54	417.73	3.65	-62.89
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CCC(CC2)N1C(=O)C[NH+]1CCC1	REAL300025477105	1	53	0.0	-72.42	414.68	2.93	-69.49
C[NH+](C)CC(=O)NCCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025477227	0	52	0.0	-74.18	412.83	-0.92	-75.10
[N-]=[N+]=NCC(=O)NCCC1(O)CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025477233	0	46	0.0	-24.67	389.80	-5.32	-29.99
O=C(C[NH+]1CCC1)NCCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025477247	1	53	0.0	-73.89	422.93	-0.50	-74.39
[N-]=[N+]=NCC(=O)N1CCC(O)(CCNC(=O)CSC2=NC(=O)NN2)CC1	REAL300025477415	0	46	0.0	-25.49	389.82	-5.43	-30.92
C[NH+](C)CC(=O)N1CCC(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025477437	0	52	0.0	-72.31	412.83	-1.02	-73.33
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025477446	1	53	0.0	-72.12	422.92	-0.61	-72.73
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@@H+]1C	REAL300025477625	0	52	0.0	-67.55	414.57	3.54	-64.01
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@H+]1C	REAL300025477625	1	52	0.0	-69.13	408.23	3.21	-65.92
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1C[N@H+](C)CCO1	REAL300025477649	1	53	0.0	-81.16	421.74	2.91	-78.25
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1C[N@@H+](C)CCO1	REAL300025477649	1	53	0.0	-68.09	415.62	2.73	-65.36
CC1=[NH+]C=CN1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025477788	1	50	0.0	-65.79	418.97	4.24	-61.55
C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025477806	0	55	0.0	-71.08	424.13	3.57	-67.51
C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025477806	1	55	0.0	-73.63	427.90	4.39	-69.24
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1([NH+](C)C)CCC1	REAL300025477826	0	55	0.0	-68.73	415.08	3.63	-65.10
CC(C)[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025477828	0	57	0.0	-64.60	429.42	4.12	-60.48
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+](C)C1CCC1	REAL300025477837	0	55	0.0	-66.52	434.87	4.66	-61.86
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+](C)C1CCC1	REAL300025477837	1	55	0.0	-67.13	434.97	4.66	-62.47
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CC[NH+](C)CC1	REAL300025477861	0	55	0.0	-76.86	429.45	4.18	-72.68
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCCC[N@@H+]1C	REAL300025477867	0	55	0.0	-70.89	422.54	3.90	-66.99
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCCC[N@H+]1C	REAL300025477867	1	55	0.0	-67.68	426.73	4.20	-63.48
CC1=C[NH+]=CN1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025477884	1	50	0.0	-66.17	417.46	4.99	-61.18
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1CC[N@H+](C)C1	REAL300025477894	0	55	0.0	-70.88	434.82	4.32	-66.56
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1CC[N@@H+](C)C1	REAL300025477894	1	55	0.0	-71.77	436.08	4.28	-67.49
CCC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025477897	0	54	0.0	-67.30	421.88	3.80	-63.50
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CCCC[NH+](C)C	REAL300025477911	0	57	0.0	-73.21	454.12	4.88	-68.33
CC(C)C(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025477914	0	57	0.0	-66.92	434.56	4.58	-62.34
CCC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025477915	0	57	0.0	-71.67	450.34	4.69	-66.98
CCC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025477915	1	57	0.0	-71.64	450.36	4.69	-66.95
CCC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025477916	0	54	0.0	-68.85	427.98	4.12	-64.73
CCC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025477916	1	54	0.0	-68.56	427.98	4.12	-64.44
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300025477931	0	52	0.0	-67.52	411.58	3.57	-63.95
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCC[N@H+]1C	REAL300025477931	1	52	0.0	-71.01	408.38	3.21	-67.80
CC[NH+](CC)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025477943	0	54	0.0	-67.71	420.35	3.76	-63.95
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1(C[NH+](C)C)CC1	REAL300025477997	0	55	0.0	-66.28	436.44	4.31	-61.97
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CC[NH+](C)CC1	REAL300025478019	0	55	0.0	-76.86	429.45	4.18	-72.68
CC(C)[C@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025478034	0	57	0.0	-68.43	427.94	4.03	-64.40
CC[N@H+](C)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478061	0	54	0.0	-71.01	428.86	3.94	-67.07
CC[N@@H+](C)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478061	1	54	0.0	-70.97	428.86	3.95	-67.02
CC1CCC[N@@H+]1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478071	0	55	0.0	-66.02	435.24	4.31	-61.71
CC1CCC[N@H+]1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478071	1	55	0.0	-66.20	427.55	4.05	-62.15
CC1CC[N@H+](CC(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025478072	0	55	0.0	-68.33	434.52	4.39	-63.94
CC1CC[N@@H+](CC(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025478072	1	55	0.0	-68.58	434.39	4.43	-64.15
CC[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025478074	0	54	0.0	-64.41	415.44	3.55	-60.86
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+](C)C	REAL300025478110	0	48	0.0	-68.92	388.76	2.70	-66.22
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N+]1=CN(C)C=C1	REAL300025478111	0	50	0.0	-64.92	419.99	6.21	-58.71
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@H+](C)C1	REAL300025478114	0	55	0.0	-64.31	422.21	4.24	-60.07
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCC[N@@H+](C)C1	REAL300025478114	1	55	0.0	-70.71	430.24	4.09	-66.62
CC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025478121	1	52	0.0	-66.19	411.98	3.46	-62.73
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C(C)(C)C[NH+](C)C	REAL300025478124	0	57	0.0	-61.84	422.64	3.85	-57.99
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+](C)C1CC1	REAL300025478131	0	52	0.0	-66.71	418.17	4.11	-62.60
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+](C)C1CC1	REAL300025478131	1	52	0.0	-65.47	418.03	4.10	-61.37
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1C[NH+](C)C1	REAL300025478142	0	52	0.0	-70.13	421.97	3.54	-66.59
C[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025478154	0	51	0.0	-66.08	404.05	3.04	-63.04
CN(CC1CCN(C(=O)CSC2=NC(=O)NN2)C1)C(=O)CN=[N+]=[N-]	REAL300025478161	0	42	0.0	-25.92	365.74	-1.71	-27.63
C[C@@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025478192	0	51	0.0	-66.08	404.05	3.04	-63.04
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025478195	0	55	0.0	-67.07	429.19	4.19	-62.88
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300025478195	1	55	0.0	-68.58	411.30	3.61	-64.97
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CCC1	REAL300025478222	1	49	0.0	-69.73	399.04	3.10	-66.63
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C=C1CC[N@H+](C)C1	REAL300025478231	0	53	0.0	-73.94	427.23	4.20	-69.74
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C=C1CC[N@@H+](C)C1	REAL300025478231	1	53	0.0	-73.86	426.27	4.22	-69.64
C[C@H](C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025478249	0	51	0.0	-68.55	405.60	3.02	-65.53
CC1C[NH+](CC(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025478265	1	52	0.0	-68.66	419.67	3.78	-64.88
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@H+](C)CCO	REAL300025478278	1	52	0.0	-70.35	417.62	0.06	-70.29
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[N@@H+](C)CCO	REAL300025478278	1	52	0.0	-70.13	418.39	0.10	-70.03
CC(CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025478290	0	57	0.0	-70.69	445.95	4.74	-65.95
CC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478292	0	51	0.0	-68.87	407.27	3.31	-65.56
CC[N@@H+](C)CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478292	1	51	0.0	-68.28	406.49	3.36	-64.92
CC[N@H+](CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025478302	0	55	0.0	-68.63	425.71	4.11	-64.52
CC[N@@H+](CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025478302	1	55	0.0	-66.26	434.85	4.71	-61.55
CC[NH+](CC)CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478308	0	57	0.0	-70.32	442.36	4.38	-65.94
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CC(C)(C)C1	REAL300025478316	1	55	0.0	-69.28	439.35	4.30	-64.98
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C=CC[NH+](C)C	REAL300025478323	0	52	0.0	-75.56	425.16	3.97	-71.59
CC(CCC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025478340	0	57	0.0	-70.15	446.05	4.48	-65.67
CC[N@@H+]1CCC1C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478344	1	52	0.0	-68.77	420.01	3.49	-65.28
CC[N@H+]1CCC1C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478344	1	52	0.0	-66.94	414.52	3.33	-63.61
C=CCC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025478365	0	55	0.0	-65.10	431.71	4.06	-61.04
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CC2CC2C1	REAL300025478373	0	53	0.0	-68.83	424.10	4.56	-64.27
CCCC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025478378	0	57	0.0	-69.01	440.00	4.40	-64.61
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C(C)(C)[NH+](C)C	REAL300025478380	0	54	0.0	-76.21	406.98	3.73	-72.48
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCCC[N@@H+]1C	REAL300025478390	0	55	0.0	-70.89	422.54	3.90	-66.99
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1CCCC[N@H+]1C	REAL300025478390	1	55	0.0	-67.68	426.73	4.20	-63.48
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1([NH+](C)C)CC1	REAL300025478426	0	52	0.0	-71.35	412.78	3.41	-67.94
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC[NH+]1CCCC1	REAL300025478427	0	55	0.0	-70.28	437.08	4.45	-65.83
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300025478437	0	53	0.0	-72.42	413.62	3.98	-68.44
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C12CC(C1)C[N@H+]2C	REAL300025478437	1	53	0.0	-75.37	415.49	3.69	-71.68
CC(C[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478472	0	54	0.0	-71.62	424.01	3.70	-67.92
CC(C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025478492	0	55	0.0	-67.35	434.80	4.09	-63.26
CC1CC[N@@H+]1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478493	1	52	0.0	-67.09	415.52	3.57	-63.52
CC1CC[N@H+]1CC(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478493	1	52	0.0	-66.68	414.17	3.49	-63.19
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025478524	0	55	0.0	-67.64	437.62	4.41	-63.23
CC(CC[NH+](C)C)C(=O)N(C)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478525	0	57	0.0	-72.08	445.65	4.32	-67.76
CN(CC1CCN(C(=O)C2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025478694	0	52	0.0	-64.48	410.93	3.62	-60.86
CN(CC1CCN(C(=O)C2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025478694	1	52	0.0	-73.12	408.58	3.15	-69.97
CN(CC1CCN(C(=O)C2C[N@H+](C)CCO2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025478720	1	53	0.0	-87.01	421.93	3.02	-83.99
CN(CC1CCN(C(=O)C2C[N@@H+](C)CCO2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025478720	1	53	0.0	-78.85	414.34	2.82	-76.03
CN(CC1CCN(C(=O)CC2CC[N@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025478870	0	55	0.0	-76.22	437.50	4.35	-71.87
CN(CC1CCN(C(=O)CC2CC[N@@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025478870	1	55	0.0	-77.72	437.73	4.35	-73.37
CCC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025478873	0	54	0.0	-65.34	418.88	3.82	-61.52
CN(CC1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025478883	0	57	0.0	-77.11	454.94	4.88	-72.23
CC(C)C(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025478886	0	57	0.0	-68.27	433.08	4.20	-64.07
CCC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478887	0	57	0.0	-75.64	451.17	4.69	-70.95
CCC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478887	1	57	0.0	-75.72	451.17	4.68	-71.04
CCC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478888	0	54	0.0	-66.76	427.56	4.19	-62.57
CCC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478888	1	54	0.0	-72.29	429.18	4.09	-68.20
CN(CC1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025478927	0	55	0.0	-68.53	435.47	4.28	-64.25
CC[N@H+](C)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478933	0	54	0.0	-74.87	429.67	3.94	-70.93
CC[N@@H+](C)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025478933	1	54	0.0	-74.88	429.30	3.97	-70.91
CN(CC1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025478955	0	55	0.0	-80.06	432.13	4.27	-75.79
CC(C)[C@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025478970	0	57	0.0	-66.74	432.17	4.23	-62.51
CN(CC1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025478992	0	55	0.0	-65.94	415.44	3.73	-62.21
CC1CCC[N@@H+]1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479016	0	55	0.0	-69.00	437.29	4.40	-64.60
CC1CCC[N@H+]1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479016	1	55	0.0	-69.48	434.33	4.49	-64.99
CC(C)[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025479027	0	57	0.0	-70.48	433.55	4.21	-66.27
CC1CC[N@H+](CC(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025479035	0	55	0.0	-71.15	436.06	4.42	-66.73
CC1CC[N@@H+](CC(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025479035	1	55	0.0	-71.32	435.21	4.44	-66.88
CC[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025479037	0	54	0.0	-65.31	419.37	3.79	-61.52
CC1=[NH+]C=CN1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479074	1	50	0.0	-70.27	418.32	4.26	-66.01
CC1=C[NH+]=CN1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479092	1	50	0.0	-71.65	418.64	4.98	-66.67
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025479093	0	55	0.0	-78.75	425.99	3.69	-75.06
C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025479093	1	55	0.0	-70.00	430.50	3.97	-66.03
CN(CC1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479123	0	55	0.0	-64.94	434.79	4.74	-60.20
CN(CC1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479123	1	55	0.0	-70.35	436.14	4.67	-65.68
CN(CC1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479129	0	55	0.0	-80.06	432.13	4.27	-75.79
CN(CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479142	0	52	0.0	-70.28	412.06	3.56	-66.72
CN(CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479142	1	52	0.0	-66.28	407.72	3.24	-63.04
CN(CC1CCN(C(=O)C2CCCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479185	0	55	0.0	-64.39	427.94	4.26	-60.13
CN(CC1CCN(C(=O)C2CCCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479185	1	55	0.0	-67.41	429.42	4.17	-63.24
CC1C(C(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025479214	0	55	0.0	-75.82	430.65	4.17	-71.65
CC1C(C(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025479214	1	55	0.0	-68.82	429.27	4.30	-64.52
C[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025479255	0	51	0.0	-69.67	404.25	3.01	-66.66
CN(CC1CCN(C(=O)CC[NH+]2CCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479273	0	55	0.0	-68.63	437.42	4.51	-64.12
CN(CC1CCN(C(=O)C[N@H+](C)CCO)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479278	1	52	0.0	-72.71	418.04	0.12	-72.59
CN(CC1CCN(C(=O)C[N@@H+](C)CCO)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479278	1	52	0.0	-67.13	416.20	0.20	-66.93
CC1C[NH+](CC(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025479321	1	52	0.0	-66.97	420.40	3.86	-63.11
CC[N@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479353	0	51	0.0	-66.45	406.06	3.44	-63.01
CC[N@@H+](C)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479353	1	51	0.0	-72.02	407.68	3.35	-68.67
CC(CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025479406	0	57	0.0	-70.46	442.53	4.52	-65.94
CC[N@H+](CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025479411	0	55	0.0	-69.13	438.73	4.74	-64.39
CC[N@@H+](CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025479411	1	55	0.0	-70.40	430.92	4.61	-65.79
CN(CC1CCN(C(=O)C23CC(C2)C[N@@H+]3C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479424	0	53	0.0	-66.60	412.38	3.92	-62.68
CN(CC1CCN(C(=O)C23CC(C2)C[N@H+]3C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479424	1	53	0.0	-77.08	415.57	3.86	-73.22
CC(C[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479433	0	54	0.0	-75.32	428.55	3.84	-71.48
CN(CC1CCN(C(=O)C2([NH+](C)C)CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479439	0	52	0.0	-73.27	409.55	3.27	-70.00
C[C@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025479449	0	51	0.0	-66.16	404.32	3.07	-63.09
CC[N@@H+]1CCC1C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479452	0	52	0.0	-69.67	412.77	3.40	-66.27
CC[N@H+]1CCC1C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479452	1	52	0.0	-70.33	413.69	3.36	-66.97
CN(CC1CCN(C(=O)C2=C[NH+]=CC=C2N)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479463	0	48	0.0	-77.14	397.04	0.64	-76.50
CCCC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025479467	0	57	0.0	-65.82	439.36	4.52	-61.30
CN(CC1CCN(C(=O)C(C)(C)[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479470	0	54	0.0	-76.85	408.46	3.38	-73.47
CC(CC[NH+](C)C)C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479479	0	57	0.0	-75.72	450.21	4.47	-71.25
CN(CC1CCN(C(=O)C[NH+]2CC3CC3C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479538	0	53	0.0	-72.27	425.42	4.58	-67.69
CN(CC1CCN(C(=O)C2CCCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479546	0	55	0.0	-64.39	427.94	4.26	-60.13
CN(CC1CCN(C(=O)C2CCCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479546	1	55	0.0	-67.41	429.42	4.17	-63.24
CN(CC1CCN(C(=O)C=C2CC[N@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479571	0	53	0.0	-77.24	428.34	4.25	-72.99
CN(CC1CCN(C(=O)C=C2CC[N@@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479571	1	53	0.0	-79.90	427.00	4.24	-75.66
CN(CC1CCN(C(=O)CN=[N+]=[N-])C1)C(=O)CSC1=NC(=O)NN1	REAL300025479578	0	42	0.0	-25.91	365.35	-1.68	-27.59
CCC1C[NH+](CC(=O)N2CCC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025479594	0	55	0.0	-73.35	442.03	4.51	-68.84
CN(CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479599	0	52	0.0	-66.16	407.46	3.23	-62.93
CN(CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479599	1	52	0.0	-63.81	409.89	3.56	-60.25
CN(CC1CCN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479639	0	55	0.0	-68.96	438.39	4.48	-64.48
CN(CC1CCN(C(=O)C[NH+]2CCCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479680	0	55	0.0	-65.95	430.41	4.62	-61.33
CN(CC1CCN(C(=O)C2CCC[N@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479681	0	55	0.0	-62.60	421.77	4.37	-58.23
CN(CC1CCN(C(=O)C2CCC[N@@H+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479681	1	55	0.0	-66.01	424.96	4.42	-61.59
CN(CC1CCN(C(=O)C[N+]2=CN(C)C=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479682	0	50	0.0	-69.83	420.47	6.24	-63.59
CN(CC1CCN(C(=O)C[N@H+](C)C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479692	0	52	0.0	-64.63	418.50	4.19	-60.44
CN(CC1CCN(C(=O)C[N@@H+](C)C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479692	1	52	0.0	-69.50	418.84	4.11	-65.39
CC(CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025479700	0	57	0.0	-76.43	446.60	4.74	-71.69
CN(CC1CCN(C(=O)CC2C[NH+](C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479749	0	52	0.0	-69.56	420.23	3.52	-66.04
CN(CC1CCN(C(=O)C[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479756	0	48	0.0	-72.84	389.58	2.71	-70.13
C[C@@H](C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025479764	0	51	0.0	-69.67	404.25	3.01	-66.66
CC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025479778	0	55	0.0	-64.93	437.85	4.27	-60.66
CC1CC[N@@H+]1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479779	0	52	0.0	-65.61	419.98	3.83	-61.78
CC1CC[N@H+]1CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479779	1	52	0.0	-71.46	421.73	3.84	-67.62
CN(CC1CCN(C(=O)C=CC[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479781	0	52	0.0	-81.67	425.25	3.94	-77.73
CN(CC1CCN(C(=O)C[NH+]2CC(C)(C)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479785	1	55	0.0	-66.74	438.70	4.34	-62.40
CC[NH+](CC)CC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479798	0	54	0.0	-70.38	421.17	3.78	-66.60
CN(CC1CCN(C(=O)C[NH+]2CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479803	1	49	0.0	-72.76	399.48	3.21	-69.55
CC[NH+](CC)CCC(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025479821	0	57	0.0	-68.42	442.69	4.43	-63.99
CC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025479849	0	52	0.0	-70.48	406.91	3.24	-67.24
CN(CC1CCN(C(=O)C(C)(C)C[NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479853	0	57	0.0	-77.51	428.69	4.12	-73.39
CN(CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479873	0	55	0.0	-67.28	429.97	4.24	-63.04
CN(CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479873	1	55	0.0	-65.38	420.58	4.01	-61.37
C=CCC(C(=O)N1CCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025479892	0	55	0.0	-63.36	430.05	4.13	-59.23
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CSC(N)=[NH2+]	REAL300025479915	0	46	0.0	-72.65	397.29	-0.35	-73.00
CCC1C[NH+](CC(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025479970	0	55	0.0	-70.05	441.37	4.57	-65.48
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025479974	0	52	0.0	-70.80	410.63	3.23	-67.57
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300025479974	1	52	0.0	-68.74	413.31	3.51	-65.23
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C[NH+]1CCCCC1	REAL300025479981	0	55	0.0	-68.78	430.59	4.57	-64.21
CC1C(C(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025479985	0	55	0.0	-70.21	419.00	3.71	-66.50
CC1C(C(=O)N(C)CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025479985	1	55	0.0	-72.06	424.39	3.91	-68.15
C[N@@H+]1CCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480223	0	52	0.0	-63.55	405.55	2.56	-60.99
C[N@H+]1CCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480223	1	52	0.0	-70.80	405.47	2.53	-68.27
C[N@@H+]1CCOC(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025480247	1	53	0.0	-79.57	415.80	2.30	-77.27
C[N@H+]1CCOC(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025480247	1	53	0.0	-84.06	422.92	2.45	-81.61
CC1=[NH+]C=CN1CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480386	1	50	0.0	-64.24	414.93	3.67	-60.57
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025480404	0	55	0.0	-75.86	422.02	2.97	-72.89
C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025480404	1	55	0.0	-73.11	427.51	3.55	-69.56
C[NH+](C)C1(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025480424	0	55	0.0	-62.51	404.92	4.58	-57.93
CC(C)[C@@H](C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025480426	0	57	0.0	-69.76	434.61	4.21	-65.55
C[N@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025480435	0	55	0.0	-65.27	431.62	4.04	-61.23
C[N@@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025480435	1	55	0.0	-66.57	431.65	4.04	-62.53
C[NH+]1CCC(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025480459	0	55	0.0	-71.79	430.07	3.63	-68.16
C[N@@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480465	0	55	0.0	-64.88	418.09	3.39	-61.49
C[N@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480465	1	55	0.0	-68.44	418.04	3.37	-65.07
CC1=C[NH+]=CN1CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480482	1	50	0.0	-70.00	415.20	4.34	-65.66
C[N@@H+]1CCC(CC(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025480492	0	55	0.0	-74.12	432.13	3.62	-70.50
C[N@H+]1CCC(CC(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025480492	1	55	0.0	-72.29	432.27	3.63	-68.66
CCC(C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025480495	0	54	0.0	-63.09	415.35	3.02	-60.07
C[NH+](C)CCCCC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480509	0	57	0.0	-72.59	450.88	4.20	-68.39
CC(C)C(C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025480512	0	57	0.0	-69.25	432.77	3.80	-65.45
CCC[N@H+](C)CCC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480513	0	57	0.0	-71.01	447.11	4.02	-66.99
CCC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480513	1	57	0.0	-70.67	447.12	4.02	-66.65
CCC[N@H+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480514	0	54	0.0	-67.57	424.74	3.40	-64.17
CCC[N@@H+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480514	1	54	0.0	-67.98	424.81	3.45	-64.53
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480529	0	52	0.0	-63.90	405.38	2.52	-61.38
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480529	1	52	0.0	-64.57	410.78	3.08	-61.49
CC[NH+](CC)CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480541	0	54	0.0	-67.01	416.57	3.10	-63.91
C[NH+](C)CC1(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025480595	0	55	0.0	-59.56	423.91	4.17	-55.39
C[NH+]1CCC(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025480617	0	55	0.0	-71.79	430.07	3.63	-68.16
CC(C)[C@H](C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025480632	0	57	0.0	-63.75	434.48	4.18	-59.57
CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480659	0	54	0.0	-70.56	425.68	3.23	-67.33
CC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480659	1	54	0.0	-70.16	425.62	3.29	-66.87
CC1CCC[N@@H+]1CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480669	0	55	0.0	-64.95	424.11	3.36	-61.59
CC1CCC[N@H+]1CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480669	1	55	0.0	-65.21	430.71	3.87	-61.34
CC1CC[N@H+](CC(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025480670	0	55	0.0	-67.15	430.93	3.70	-63.45
CC1CC[N@@H+](CC(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025480670	1	55	0.0	-66.83	430.81	3.68	-63.15
CC[C@@H](C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025480672	0	54	0.0	-68.92	418.89	3.23	-65.69
C[NH+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480708	0	48	0.0	-68.18	385.51	1.99	-66.19
CN1C=C[N+](CC(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025480709	0	50	0.0	-67.57	416.74	5.50	-62.07
C[N@@H+]1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025480712	0	55	0.0	-69.43	430.14	3.66	-65.77
C[N@H+]1CCCC(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025480712	1	55	0.0	-64.64	423.82	3.91	-60.73
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025480719	1	52	0.0	-66.56	413.68	3.08	-63.48
C[NH+](C)CC(C)(C)C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480722	0	57	0.0	-69.83	433.09	3.74	-66.09
C[N@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025480729	0	52	0.0	-64.61	414.80	3.43	-61.18
C[N@@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025480729	1	52	0.0	-66.13	414.84	3.40	-62.73
C[NH+]1CC(CC(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025480740	0	52	0.0	-72.03	416.95	2.80	-69.23
C[C@@H](C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025480752	0	51	0.0	-68.75	403.50	2.38	-66.37
C[C@]1(CNC(=O)CN=[N+]=[N-])CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025480759	0	42	0.0	-24.85	362.46	-2.41	-27.26
C[C@@H](C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025480790	0	51	0.0	-68.75	403.50	2.38	-66.37
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480793	0	55	0.0	-64.80	418.03	3.41	-61.39
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480793	1	55	0.0	-62.00	427.42	3.53	-58.47
C[N@@H+]1CCC(=CC(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025480829	0	53	0.0	-73.49	424.45	3.63	-69.86
C[N@H+]1CCC(=CC(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025480829	1	53	0.0	-73.66	423.50	3.60	-70.06
C[C@H](C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025480847	0	51	0.0	-64.35	403.39	2.50	-61.85
CC1C[NH+](CC(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025480863	1	52	0.0	-68.30	416.78	3.16	-65.14
C[N@H+](CCO)CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480876	1	52	0.0	-69.67	413.60	-0.51	-70.18
C[N@@H+](CCO)CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480876	1	52	0.0	-67.56	413.55	-0.58	-68.14
CC(CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025480888	0	57	0.0	-77.06	442.38	3.91	-73.15
CC[N@H+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480890	0	51	0.0	-67.54	403.25	2.74	-64.80
CC[N@@H+](C)CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480890	1	51	0.0	-67.70	403.25	2.74	-64.96
CC[N@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025480900	0	55	0.0	-66.00	426.58	3.63	-62.37
CC[N@@H+](CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025480900	1	55	0.0	-65.27	431.41	4.00	-61.27
CC[NH+](CC)CCC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480906	0	57	0.0	-69.56	443.18	3.95	-65.61
C[NH+](C)CC=CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480921	0	52	0.0	-75.35	421.55	3.24	-72.11
CC(CCC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025480938	0	57	0.0	-75.35	439.00	3.69	-71.66
CC[N@@H+]1CCC1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480942	1	52	0.0	-67.86	417.20	3.01	-64.85
CC[N@H+]1CCC1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480942	1	52	0.0	-66.51	410.15	2.81	-63.70
C=CCC(C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025480963	0	55	0.0	-65.35	432.42	3.62	-61.73
C[C@]1(CNC(=O)C[NH+]2CC3CC3C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480971	0	53	0.0	-67.43	420.82	3.87	-63.56
CCCC(C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025480976	0	57	0.0	-64.30	440.76	4.01	-60.29
C[NH+](C)C(C)(C)C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480978	0	54	0.0	-53.23	399.72	3.45	-49.78
C[N@@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480988	0	55	0.0	-64.88	418.09	3.39	-61.49
C[N@H+]1CCCCC1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480988	1	55	0.0	-68.44	418.04	3.37	-65.07
C[NH+](C)C1(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025481024	0	52	0.0	-55.14	402.39	3.51	-51.63
C[C@]1(CNC(=O)CC[NH+]2CCCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025481025	0	55	0.0	-69.62	432.81	3.65	-65.97
C[N@@H+]1CC2CC1(C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025481035	0	53	0.0	-67.93	417.62	3.29	-64.64
C[N@H+]1CC2CC1(C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025481035	1	53	0.0	-49.46	395.67	3.85	-45.61
CC(C[NH+](C)C)C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025481070	0	54	0.0	-70.50	423.55	3.22	-67.28
CC(C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025481090	1	55	0.0	-64.54	433.10	3.74	-60.80
CC1CC[N@@H+]1CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025481091	1	52	0.0	-65.77	416.90	3.19	-62.58
CC1CC[N@H+]1CC(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025481091	1	52	0.0	-67.78	416.91	3.11	-64.67
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025481122	0	55	0.0	-66.17	435.33	3.75	-62.42
CC(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025481123	0	57	0.0	-71.02	445.44	3.89	-67.13
C[N@@H+]1CCCC1C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481292	0	52	0.0	-64.13	410.77	2.72	-61.41
C[N@H+]1CCCC1C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481292	1	52	0.0	-66.70	408.65	2.74	-63.96
C[N@@H+]1CCC(CC(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025481466	0	55	0.0	-70.73	431.55	3.47	-67.26
C[N@H+]1CCC(CC(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025481466	1	55	0.0	-73.10	431.43	3.47	-69.63
CCC(C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025481469	0	54	0.0	-66.20	411.43	2.68	-63.52
C[NH+](C)CCCCC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481478	0	57	0.0	-72.17	450.40	4.00	-68.17
CCC[N@H+](C)CCC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481481	0	57	0.0	-71.39	446.63	3.82	-67.57
CCC[N@@H+](C)CCC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481481	1	57	0.0	-71.60	446.63	3.82	-67.78
CCC[N@H+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481482	0	54	0.0	-68.81	424.16	3.25	-65.56
CCC[N@@H+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481482	1	54	0.0	-68.64	424.26	3.24	-65.40
C[NH+](C)CC1(C(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025481512	0	55	0.0	-75.06	431.94	3.38	-71.68
CC[N@H+](C)CCC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481517	0	54	0.0	-70.69	425.13	3.08	-67.61
CC[N@@H+](C)CCC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481517	1	54	0.0	-70.76	425.30	3.09	-67.67
C[NH+]1CCC(C(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025481532	0	55	0.0	-74.70	429.69	3.40	-71.30
CC1CCC[N@@H+]1CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481570	0	55	0.0	-66.41	429.49	3.59	-62.82
CC1CCC[N@H+]1CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481570	1	55	0.0	-65.83	430.18	3.61	-62.22
CC1CC[N@H+](CC(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025481585	0	55	0.0	-67.55	430.37	3.52	-64.03
CC1CC[N@@H+](CC(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025481585	1	55	0.0	-68.30	430.77	3.57	-64.73
CC[C@@H](C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025481587	0	54	0.0	-65.84	415.17	2.87	-62.97
CC1=[NH+]C=CN1CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481621	1	50	0.0	-65.97	414.48	3.47	-62.50
CC1=C[NH+]=CN1CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481636	1	50	0.0	-66.26	414.81	4.20	-62.06
C[C@@H]1[C@H](C(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025481637	0	55	0.0	-71.30	418.98	3.05	-68.25
C[C@@H]1[C@H](C(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025481637	1	55	0.0	-69.32	424.96	3.36	-65.96
C[N@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025481660	0	55	0.0	-66.98	431.14	3.83	-63.15
C[N@@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025481660	1	55	0.0	-66.39	431.24	3.82	-62.57
C[NH+]1CCC(C(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025481666	0	55	0.0	-74.70	429.69	3.40	-71.30
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481676	0	52	0.0	-70.17	403.44	2.34	-67.83
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481676	1	52	0.0	-66.69	408.69	2.74	-63.95
CC1C(C(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025481736	0	55	0.0	-69.02	422.62	2.85	-66.17
CC1C(C(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025481736	1	55	0.0	-70.32	425.26	3.35	-66.97
C[C@@H](C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025481770	0	51	0.0	-66.44	401.83	2.20	-64.24
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CC[NH+]1CCCC1	REAL300025481788	0	55	0.0	-71.27	431.65	3.47	-67.80
C[N@H+](CCO)CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481793	1	52	0.0	-68.64	413.11	-0.74	-69.38
C[N@@H+](CCO)CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481793	1	52	0.0	-69.59	412.75	-0.71	-70.30
CC1C[NH+](CC(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025481832	1	52	0.0	-69.17	415.08	2.98	-66.19
CC[N@H+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481857	0	51	0.0	-68.46	402.78	2.52	-65.94
CC[N@@H+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481857	1	51	0.0	-68.33	402.78	2.52	-65.81
CC(CCC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025481902	0	57	0.0	-74.83	438.55	3.62	-71.21
CC[N@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025481906	0	55	0.0	-65.80	433.82	3.87	-61.93
CC[N@@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025481906	1	55	0.0	-65.94	431.40	3.83	-62.11
CC(C[NH+](C)C)C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481925	0	54	0.0	-70.65	422.88	2.96	-67.69
C[C@H](C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025481937	0	51	0.0	-68.47	401.65	2.19	-66.28
CC[N@@H+]1CCC1C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481940	0	52	0.0	-66.84	408.48	2.54	-64.30
CC[N@H+]1CCC1C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481940	1	52	0.0	-68.37	416.29	2.84	-65.53
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=C[NH+]=CC=C1N	REAL300025481950	0	48	0.0	-68.31	389.05	0.30	-68.01
CCCC(C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025481954	0	57	0.0	-64.66	434.52	3.50	-61.16
CC(CC[NH+](C)C)C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025481964	0	57	0.0	-70.01	444.62	3.56	-66.45
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300025482020	0	53	0.0	-68.60	419.93	3.67	-64.93
C[N@@H+]1CCCCC1C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025482027	0	55	0.0	-63.99	425.58	3.38	-60.61
C[N@H+]1CCCCC1C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025482027	1	55	0.0	-67.15	417.34	3.11	-64.04
C[N@@H+]1CCC(=CC(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025482046	0	53	0.0	-71.58	423.20	3.47	-68.11
C[N@H+]1CCC(=CC(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025482046	1	53	0.0	-71.58	423.66	3.50	-68.08
C[C@]1(CNC(=O)CSC2=NC(=O)NN2)CCCN1C(=O)CN=[N+]=[N-]	REAL300025482051	0	42	0.0	-24.86	362.55	-2.42	-27.28
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025482064	0	52	0.0	-64.82	406.07	2.60	-62.22
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025482064	1	52	0.0	-65.35	403.70	2.35	-63.00
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025482100	0	55	0.0	-72.53	434.35	3.58	-68.95
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CCCCC1	REAL300025482134	0	55	0.0	-68.45	426.76	3.71	-64.74
C[N@@H+]1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025482135	0	55	0.0	-62.86	420.01	3.52	-59.34
C[N@H+]1CCCC(C(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025482135	1	55	0.0	-69.88	428.81	3.34	-66.54
CN1C=C[N+](CC(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025482136	0	50	0.0	-67.47	416.26	5.36	-62.11
C[N@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025482145	0	52	0.0	-65.99	414.26	3.25	-62.74
C[N@@H+](CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025482145	1	52	0.0	-66.01	414.39	3.26	-62.75
CC(CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025482153	0	57	0.0	-70.20	442.15	3.87	-66.33
C[NH+]1CC(CC(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025482193	0	52	0.0	-71.35	416.02	2.60	-68.75
C[NH+](C)CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025482200	0	48	0.0	-69.07	385.05	1.84	-67.23
C[C@@H](C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025482208	0	51	0.0	-66.44	401.83	2.20	-64.24
CC(C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025482218	0	55	0.0	-66.48	429.35	3.15	-63.33
CC1CC[N@@H+]1CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025482219	0	52	0.0	-66.79	410.81	2.67	-64.12
CC1CC[N@H+]1CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025482219	1	52	0.0	-67.07	416.31	2.93	-64.14
C[NH+](C)CC=CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025482220	0	52	0.0	-72.24	420.36	3.16	-69.08
CC1(C)C[NH+](CC(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025482223	1	55	0.0	-69.11	435.35	3.41	-65.70
CC[NH+](CC)CC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025482236	0	54	0.0	-66.73	416.51	2.90	-63.83
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CCC1	REAL300025482241	1	49	0.0	-69.16	395.14	2.28	-66.88
CC[NH+](CC)CCC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025482255	0	57	0.0	-69.61	443.14	3.79	-65.82
CC(C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025482276	0	52	0.0	-66.62	413.47	2.69	-63.93
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025482294	0	55	0.0	-67.74	413.80	2.92	-64.82
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025482294	1	55	0.0	-67.42	425.60	3.39	-64.03
C=CCC(C(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025482310	0	55	0.0	-63.34	425.53	3.16	-60.18
C[C@]1(CNC(=O)CSC(N)=[NH2+])CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025482330	0	46	0.0	-70.69	393.43	-1.06	-71.75
CCC1C[NH+](CC(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025482385	1	55	0.0	-68.62	438.18	3.92	-64.70
C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025482389	0	52	0.0	-66.23	411.32	3.10	-63.13
C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025482389	1	52	0.0	-70.26	405.45	2.61	-67.65
C[C@]1(CNC(=O)C[NH+]2CCCCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025482396	0	55	0.0	-67.05	427.22	3.86	-63.19
CC1C(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025482400	0	55	0.0	-66.69	427.57	3.48	-63.21
CC1C(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025482400	1	55	0.0	-65.30	426.64	3.30	-62.00
C[N@@H+]1CCCC1C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482551	0	53	0.0	-68.28	401.21	2.30	-65.98
C[N@H+]1CCCC1C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482551	1	53	0.0	-69.81	415.37	3.11	-66.70
CCC(C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025482645	0	55	0.0	-69.73	422.99	3.06	-66.67
CCC[N@H+](C)CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482649	0	55	0.0	-71.32	423.17	3.27	-68.05
CCC[N@@H+](C)CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482649	1	55	0.0	-72.72	431.62	3.46	-69.26
C[N@@H+]1CCC[C@@H]1C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482655	0	53	0.0	-72.45	408.31	2.57	-69.88
C[N@H+]1CCC[C@@H]1C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482655	1	53	0.0	-69.54	418.64	3.09	-66.45
CC[NH+](CC)CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482658	0	55	0.0	-69.73	415.43	2.93	-66.80
CC[N@H+](C)CCC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482700	0	55	0.0	-73.82	432.49	3.25	-70.57
CC[N@@H+](C)CCC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482700	1	55	0.0	-73.81	432.48	3.24	-70.57
CC[C@@H](C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025482703	0	55	0.0	-69.33	419.32	3.11	-66.22
C[NH+](C)CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482718	0	49	0.0	-72.95	392.40	2.04	-70.91
CC(C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+]1CCC1	REAL300025482722	1	53	0.0	-69.62	417.75	3.06	-66.56
C[N@H+](CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300025482729	0	53	0.0	-69.44	421.66	3.45	-65.99
C[N@@H+](CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)C1CC1	REAL300025482729	1	53	0.0	-70.72	420.00	3.45	-67.27
C[NH+]1CC(CC(=O)NC23CC2CCN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300025482734	0	53	0.0	-73.50	423.83	2.86	-70.64
C[C@@H](C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025482741	0	52	0.0	-70.46	409.27	2.42	-68.04
[N-]=[N+]=NCC(=O)NC12CC1CCN(C(=O)CSC1=NC(=O)NN1)CC2	REAL300025482744	0	43	0.0	-21.15	360.91	-2.53	-23.68
C[C@@H](C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025482760	0	52	0.0	-70.46	409.27	2.42	-68.04
O=C(C[NH+]1CCC1)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482776	1	50	0.0	-72.52	402.49	2.46	-70.06
C[C@H](C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2)[NH+](C)C	REAL300025482784	0	52	0.0	-70.36	410.43	2.44	-67.92
CC1C[NH+](CC(=O)NC23CC2CCN(C(=O)CSC2=NNC(=O)[N-]2)CC3)C1	REAL300025482791	1	53	0.0	-73.07	421.14	3.17	-69.90
C[N@H+](CCO)CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482801	1	53	0.0	-70.65	412.03	-0.72	-71.37
C[N@@H+](CCO)CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482801	1	53	0.0	-71.24	412.06	-0.71	-71.95
CC[N@H+](C)CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482806	0	52	0.0	-72.18	410.12	2.72	-69.46
CC[N@@H+](C)CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482806	1	52	0.0	-70.20	401.68	2.51	-67.69
C[NH+](C)CC=CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482821	0	53	0.0	-76.66	429.59	3.30	-73.36
CC[N@@H+]1CCC1C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482826	1	53	0.0	-71.90	422.66	2.98	-68.92
CC[N@H+]1CCC1C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482826	1	53	0.0	-70.91	415.15	2.71	-68.20
CC(C[NH+](C)C)C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482869	0	55	0.0	-73.58	431.06	3.30	-70.28
CC1CC[N@@H+]1CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482879	1	53	0.0	-67.79	411.19	2.76	-65.03
CC1CC[N@H+]1CC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025482879	1	53	0.0	-72.00	421.79	3.14	-68.86
C[N@@H+]1CCCC1C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025482991	0	53	0.0	-76.23	409.42	2.50	-73.73
C[N@H+]1CCCC1C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025482991	1	53	0.0	-73.27	411.80	2.73	-70.54
CCC(C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025483065	0	55	0.0	-74.29	420.24	2.95	-71.34
CCC[N@H+](C)CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483069	0	55	0.0	-76.87	431.62	3.35	-73.52
CCC[N@@H+](C)CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483069	1	55	0.0	-76.88	431.62	3.35	-73.53
CC[N@H+](C)CCC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483086	0	55	0.0	-78.84	432.48	3.21	-75.63
CC[N@@H+](C)CCC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483086	1	55	0.0	-79.05	430.74	3.23	-75.82
CC[C@@H](C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025483127	0	55	0.0	-66.27	412.75	2.70	-63.57
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483173	0	53	0.0	-75.98	408.70	2.44	-73.54
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483173	1	53	0.0	-73.34	411.87	2.73	-70.61
C[C@@H](C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025483228	0	52	0.0	-74.34	406.79	2.30	-72.04
C[N@H+](CCO)CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483238	1	53	0.0	-77.38	418.73	-0.61	-77.99
C[N@@H+](CCO)CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483238	1	53	0.0	-77.15	420.48	-0.61	-77.76
CC1C[NH+](CC(=O)N2CCC3CC3(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025483254	1	53	0.0	-69.03	414.94	2.94	-66.09
CC[N@H+](C)CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483272	0	52	0.0	-76.53	410.12	2.61	-73.92
CC[N@@H+](C)CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483272	1	52	0.0	-76.54	410.12	2.61	-73.93
CC(C[NH+](C)C)C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483305	0	55	0.0	-78.98	428.19	3.09	-75.89
C[NH+](C)C1(C(=O)N2CCC3CC3(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025483308	0	53	0.0	-78.53	411.16	2.31	-76.22
C[C@H](C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025483312	0	52	0.0	-64.68	399.99	2.09	-62.59
CC[N@@H+]1CCC1C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483315	1	53	0.0	-67.28	414.33	2.66	-64.62
CC[N@H+]1CCC1C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483315	1	53	0.0	-75.98	420.92	2.91	-73.07
C[NH+](C)C(C)(C)C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483324	0	55	0.0	-67.55	410.97	2.36	-65.19
[N-]=[N+]=NCC(=O)N1CCC2CC2(NC(=O)CSC2=NC(=O)NN2)CC1	REAL300025483373	0	43	0.0	-25.70	367.60	-2.43	-28.13
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483386	0	53	0.0	-72.82	414.92	2.78	-70.04
C[N@H+]1CCC[C@H]1C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483386	1	53	0.0	-74.85	410.90	2.49	-72.36
C[N@H+](CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025483423	0	53	0.0	-73.45	421.67	3.35	-70.10
C[N@@H+](CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025483423	1	53	0.0	-65.32	413.36	3.19	-62.13
C[NH+]1CC(CC(=O)N2CCC3CC3(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025483451	0	53	0.0	-77.76	423.81	2.81	-74.95
C[NH+](C)CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483454	0	49	0.0	-77.16	392.39	1.94	-75.22
C[C@@H](C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025483457	0	52	0.0	-74.34	406.79	2.30	-72.04
CC1CC[N@@H+]1CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483466	1	53	0.0	-74.43	416.98	2.74	-71.69
CC1CC[N@H+]1CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483466	1	53	0.0	-65.49	409.86	2.56	-62.93
C[NH+](C)CC=CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483467	0	53	0.0	-72.89	428.60	3.23	-69.66
CC[NH+](CC)CC(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025483473	0	55	0.0	-74.81	428.02	3.28	-71.53
O=C(CSC1=NNC(=O)[N-]1)NC12CC1CCN(C(=O)C[NH+]1CCC1)CC2	REAL300025483474	1	50	0.0	-68.21	394.93	2.20	-66.01
CC(C(=O)N1CCC2CC2(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025483497	1	53	0.0	-64.91	409.95	2.62	-62.29
NC(=[NH2+])SCC(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025483537	0	47	0.0	-74.25	400.93	-1.09	-75.34
C[N@@H+]1CCC[C@H]1C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025483565	0	53	0.0	-69.50	418.33	3.07	-66.43
C[N@H+]1CCC[C@H]1C(=O)NC12CC1CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300025483565	1	53	0.0	-70.71	411.16	2.55	-68.16
C[N@@H+]1CCCC1C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483687	0	53	0.0	-73.02	420.83	2.42	-70.60
C[N@H+]1CCCC1C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483687	1	53	0.0	-73.66	416.88	2.63	-71.03
CCC(C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025483790	0	55	0.0	-62.71	428.10	3.07	-59.64
CCC[N@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483795	0	55	0.0	-72.90	441.19	3.31	-69.59
CCC[N@@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483795	1	55	0.0	-73.00	441.18	3.30	-69.70
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483803	0	53	0.0	-66.56	416.09	2.57	-63.99
C[N@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483803	1	53	0.0	-69.23	428.42	2.89	-66.34
CC[NH+](CC)CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483808	0	55	0.0	-64.65	428.97	3.21	-61.44
CC[N@H+](C)CCC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483866	0	55	0.0	-74.31	442.06	3.11	-71.20
CC[N@@H+](C)CCC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483866	1	55	0.0	-77.50	442.02	3.11	-74.39
CC[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025483869	0	55	0.0	-72.05	428.23	3.15	-68.90
C[NH+](C)CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483887	0	49	0.0	-66.69	397.38	2.13	-64.56
CC(C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025483891	1	53	0.0	-69.98	429.99	3.01	-66.97
C[N@H+](CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025483898	0	53	0.0	-63.39	426.65	3.53	-59.86
C[N@@H+](CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025483898	1	53	0.0	-73.09	431.33	3.31	-69.78
C[NH+]1CC(CC(=O)NC2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025483904	0	53	0.0	-68.95	428.82	2.95	-66.00
C[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025483911	0	52	0.0	-71.89	420.13	2.31	-69.58
[N-]=[N+]=NCC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025483914	0	43	0.0	-23.30	374.35	-2.28	-25.58
C[C@@H](C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025483933	0	52	0.0	-71.89	420.13	2.31	-69.58
O=C(C[NH+]1CCC1)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483951	1	50	0.0	-72.84	412.06	2.32	-70.52
C[C@H](C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025483962	0	52	0.0	-70.71	420.13	2.30	-68.41
CC1C[NH+](CC(=O)NC2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025483969	1	53	0.0	-72.87	432.93	2.98	-69.89
C[N@H+](CCO)CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483980	1	53	0.0	-73.71	430.04	-0.67	-74.38
C[N@@H+](CCO)CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483980	1	53	0.0	-72.93	429.82	-0.67	-73.60
CC[N@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483987	0	52	0.0	-72.45	419.69	2.56	-69.89
CC[N@@H+](C)CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025483987	1	52	0.0	-72.52	419.69	2.56	-69.96
C[NH+](C)CC=CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025484005	0	53	0.0	-71.86	433.34	3.34	-68.52
CC[N@@H+]1CCC1C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025484011	1	53	0.0	-73.60	425.41	2.58	-71.02
CC[N@H+]1CCC1C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025484011	1	53	0.0	-74.28	433.59	2.92	-71.36
C[NH+](C)C(C)(C)C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025484025	0	55	0.0	-67.51	424.56	3.29	-64.22
C[NH+](C)C1(C(=O)NC2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025484048	0	53	0.0	-76.94	423.07	3.33	-73.61
CC(C[NH+](C)C)C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025484070	0	55	0.0	-77.04	440.40	3.18	-73.86
CC1CC[N@@H+]1CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025484081	1	53	0.0	-71.17	433.20	3.01	-68.16
CC1CC[N@H+]1CC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025484081	1	53	0.0	-71.89	433.26	2.98	-68.91
C[N@@H+]1CCCC1C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484196	0	53	0.0	-69.26	420.58	2.33	-66.93
C[N@H+]1CCCC1C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484196	1	53	0.0	-74.07	419.16	2.31	-71.76
CCC(C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025484270	0	55	0.0	-73.13	431.71	2.86	-70.27
CCC[N@H+](C)CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484274	0	55	0.0	-74.36	441.20	3.27	-71.09
CCC[N@@H+](C)CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484274	1	55	0.0	-73.25	440.10	3.24	-70.01
CC[N@H+](C)CCC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484291	0	55	0.0	-76.93	442.07	3.10	-73.83
CC[N@@H+](C)CCC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484291	1	55	0.0	-75.80	442.03	3.09	-72.71
CC[C@@H](C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025484332	0	55	0.0	-71.38	427.56	2.66	-68.72
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484378	0	53	0.0	-71.89	419.23	2.30	-69.59
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484378	1	53	0.0	-69.11	418.26	2.79	-66.32
C[C@@H](C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025484433	0	52	0.0	-73.52	417.28	2.15	-71.37
C[N@H+](CCO)CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484443	1	53	0.0	-75.05	430.05	-0.71	-75.76
C[N@@H+](CCO)CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484443	1	53	0.0	-74.96	429.85	-0.72	-75.68
CC1C[NH+](CC(=O)N2CCC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025484459	1	53	0.0	-72.62	430.90	2.95	-69.67
CC[N@H+](C)CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484477	0	52	0.0	-73.94	419.70	2.53	-71.41
CC[N@@H+](C)CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484477	1	52	0.0	-73.90	419.70	2.53	-71.37
CC(C[NH+](C)C)C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484510	0	55	0.0	-71.04	437.49	2.95	-68.09
C[NH+](C)C1(C(=O)N2CCC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025484513	0	53	0.0	-75.97	423.01	2.51	-73.46
C[C@H](C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025484517	0	52	0.0	-71.02	417.54	2.18	-68.84
CC[N@@H+]1CCC1C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484520	1	53	0.0	-73.08	421.51	2.41	-70.67
CC[N@H+]1CCC1C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484520	1	53	0.0	-71.83	427.82	2.93	-68.90
C[NH+](C)C(C)(C)C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484529	0	55	0.0	-77.55	421.19	2.32	-75.23
[N-]=[N+]=NCC(=O)N1CCC2(CC(NC(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025484578	0	43	0.0	-26.44	377.58	-2.60	-29.04
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484591	0	53	0.0	-68.85	423.60	2.69	-66.16
C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484591	1	53	0.0	-72.07	415.50	2.51	-69.56
C[N@H+](CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025484628	0	53	0.0	-69.77	431.20	3.26	-66.51
C[N@@H+](CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025484628	1	53	0.0	-71.71	431.37	3.26	-68.45
C[NH+]1CC(CC(=O)N2CCC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025484656	0	53	0.0	-76.81	431.90	2.66	-74.15
C[NH+](C)CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484659	0	49	0.0	-74.30	400.61	1.80	-72.50
C[C@@H](C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025484662	0	52	0.0	-73.52	417.28	2.15	-71.37
CC1CC[N@@H+]1CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484671	1	53	0.0	-70.40	422.63	2.84	-67.56
CC1CC[N@H+]1CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484671	1	53	0.0	-71.99	426.36	2.60	-69.39
C[NH+](C)CC=CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484672	0	53	0.0	-79.99	437.15	3.03	-76.96
CC[NH+](CC)CC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025484678	0	55	0.0	-72.20	432.20	2.88	-69.32
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CCN(C(=O)C[NH+]1CCC1)C2	REAL300025484679	1	50	0.0	-75.38	410.93	2.27	-73.11
CC(C(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025484702	1	53	0.0	-70.85	424.66	2.59	-68.26
NC(=[NH2+])SCC(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025484742	0	47	0.0	-67.35	405.91	-1.00	-68.35
C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025484774	0	53	0.0	-72.30	421.99	3.16	-69.14
C[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025484774	1	53	0.0	-73.02	421.92	2.44	-70.58
C[NH+](C)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)C1CCC2	REAL300025484904	0	52	0.0	-70.35	409.97	2.92	-67.43
C[C@@H](C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)C1CCC2)[NH+](C)C	REAL300025484909	0	55	0.0	-75.16	421.02	2.94	-72.22
[N-]=[N+]=NCC(=O)NCC1C2CN(C(=O)CSC3=NC(=O)NN3)C1CCC2	REAL300025484912	0	46	0.0	-25.15	379.89	-1.87	-27.02
C[C@@H](C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)C1CCC2)[NH+](C)C	REAL300025484922	0	55	0.0	-75.16	421.02	2.94	-72.22
O=C(C[NH+]1CCC1)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)C1CCC2	REAL300025484930	1	53	0.0	-77.33	413.30	2.96	-74.37
C[C@H](C(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)C1CCC2)[NH+](C)C	REAL300025484935	0	55	0.0	-75.19	420.93	2.97	-72.22
CC[N@H+](C)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)C1CCC2	REAL300025484947	0	55	0.0	-69.76	427.48	3.63	-66.13
CC[N@@H+](C)CC(=O)NCC1C2CN(C(=O)CSC3=NNC(=O)[N-]3)C1CCC2	REAL300025484947	1	55	0.0	-70.55	420.78	3.17	-67.38
C[C@@H](C(=O)N1CC2CCCC1C2CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025485085	0	55	0.0	-67.56	426.18	3.18	-64.38
CC[N@H+](C)CC(=O)N1CC2CCCC1C2CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025485103	0	55	0.0	-68.38	428.89	3.35	-65.03
CC[N@@H+](C)CC(=O)N1CC2CCCC1C2CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025485103	1	55	0.0	-67.95	427.69	3.54	-64.41
C[C@H](C(=O)N1CC2CCCC1C2CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025485112	0	55	0.0	-66.18	427.37	2.97	-63.21
[N-]=[N+]=NCC(=O)N1CC2CCCC1C2CNC(=O)CSC1=NC(=O)NN1	REAL300025485134	0	46	0.0	-24.97	388.07	-1.56	-26.53
C[NH+](C)CC(=O)N1CC2CCCC1C2CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025485159	0	52	0.0	-68.96	409.83	2.87	-66.09
C[C@@H](C(=O)N1CC2CCCC1C2CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025485162	0	55	0.0	-67.56	426.18	3.18	-64.38
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C[NH+]3CCC3)C1CCC2	REAL300025485168	1	53	0.0	-69.13	421.58	3.15	-65.98
CC1CC(NC(=O)C2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485364	0	49	0.0	-66.04	398.03	1.90	-64.14
CC1CC(NC(=O)C2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485364	1	49	0.0	-74.66	391.16	1.38	-73.28
CC1CC(NC(=O)C2C[N@H+](C)CCO2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485388	1	50	0.0	-75.32	401.48	1.09	-74.23
CC1CC(NC(=O)C2C[N@@H+](C)CCO2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485388	1	50	0.0	-71.18	400.43	1.12	-70.06
CC(C)[N@@H+]1CCCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025485532	0	55	0.0	-63.93	430.40	2.99	-60.94
CC(C)[N@H+]1CCCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025485532	1	55	0.0	-69.38	430.16	2.93	-66.45
CC1=[NH+]C=CN1CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025485555	1	47	0.0	-70.48	400.53	2.47	-68.01
CC1CC(NC(=O)C2C[NH+]3CCC2CC3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485575	0	53	0.0	-82.09	412.48	2.61	-79.48
CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485603	0	52	0.0	-74.01	409.05	2.02	-71.99
CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485603	1	52	0.0	-75.37	413.31	2.33	-73.04
CC[C@@H]1[C@@H](C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025485605	0	55	0.0	-73.94	428.38	2.53	-71.41
CC[C@@H]1[C@@H](C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025485605	1	55	0.0	-66.02	433.62	2.88	-63.14
CC[N@@H+]1CCOC(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025485610	1	53	0.0	-85.42	426.40	1.90	-83.52
CC[N@H+]1CCOC(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025485610	1	53	0.0	-85.32	426.58	1.93	-83.39
CC1CC(NC(=O)C[NH+]2C(C)CCC2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485655	0	55	0.0	-70.89	428.64	2.86	-68.03
CC1CC(NC(=O)CCC[NH+]2CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485657	0	55	0.0	-73.37	440.30	3.30	-70.07
CC1CC(NC(=O)CC[NH+]2CCCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485660	0	55	0.0	-74.54	434.65	3.26	-71.28
CC[N@@H+]1CCCCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025485663	0	55	0.0	-69.80	421.73	2.92	-66.88
CC[N@H+]1CCCCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025485663	1	55	0.0	-70.90	421.88	2.92	-67.98
CC1CC(NC(=O)C2([NH+](C)C)CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485673	0	52	0.0	-79.76	408.70	2.17	-77.59
CC(C)[C@@H](C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025485679	0	54	0.0	-68.67	416.46	3.31	-65.36
CC1CC(NC(=O)C[N@H+](C)C2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485697	0	52	0.0	-70.02	416.33	2.81	-67.21
CC1CC(NC(=O)C[N@@H+](C)C2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485697	1	52	0.0	-70.25	416.34	2.82	-67.43
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025485751	1	51	0.0	-73.10	418.05	2.58	-70.52
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025485751	1	51	0.0	-67.03	424.11	3.14	-63.89
CC1CC(NC(=O)CCC2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485756	0	55	0.0	-71.77	433.46	2.86	-68.91
CC1CC(NC(=O)CCC2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485756	1	55	0.0	-77.90	438.92	3.35	-74.55
CC1CC(NC(=O)C2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485772	0	52	0.0	-78.76	415.76	2.49	-76.27
CC1CC(NC(=O)C2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485799	0	52	0.0	-70.75	403.77	2.28	-68.47
CC1CC(NC(=O)C2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485799	1	52	0.0	-70.75	404.17	2.26	-68.49
CC1CC(NC(=O)CC[NH+]2CCOCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485852	1	53	0.0	-78.27	426.46	0.83	-77.44
CC1=C[NH+]=CN1CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025485864	1	47	0.0	-71.99	399.85	3.15	-68.84
CC1CC(NC(=O)C23CCC[NH+]2CCC3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485880	0	53	0.0	-76.19	416.17	2.81	-73.38
CC1CC(NC(=O)CC2CC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485885	0	52	0.0	-76.64	417.83	2.46	-74.18
CC1CC(NC(=O)CC2CC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485885	1	52	0.0	-76.66	417.71	2.45	-74.21
CCC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025485891	0	51	0.0	-72.27	402.22	1.77	-70.50
CC1CC(NC(=O)CCCC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485938	0	54	0.0	-75.45	436.87	2.96	-72.49
CC(C)C(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025485949	0	54	0.0	-70.89	420.68	3.03	-67.86
CCC[N@H+](C)CCC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025485950	0	54	0.0	-75.89	432.70	2.81	-73.08
CCC[N@@H+](C)CCC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025485950	1	54	0.0	-75.87	432.70	2.82	-73.05
CCC[N@H+](C)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025485953	0	51	0.0	-74.03	410.40	2.26	-71.77
CCC[N@@H+](C)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025485953	1	51	0.0	-74.07	410.36	2.26	-71.81
CC1CC(NC(=O)C23CC[N@H+](C2)CCC3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485966	0	53	0.0	-74.05	413.09	2.05	-72.00
CC1CC(NC(=O)C23CC[N@@H+](C2)CCC3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485966	1	53	0.0	-80.00	410.85	2.18	-77.82
CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485988	0	49	0.0	-70.35	396.42	1.93	-68.42
CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485988	1	49	0.0	-74.60	391.46	1.37	-73.23
CC[NH+](CC)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025486015	0	51	0.0	-72.30	403.09	1.91	-70.39
CC1CC(NC(=O)C[NH+]2CCC(C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486068	0	55	0.0	-74.77	433.70	3.34	-71.43
CC1CC(NC(=O)C2(C[NH+](C)C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486086	0	52	0.0	-74.28	415.40	2.55	-71.73
CC1CC(NC(=O)C2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486132	0	52	0.0	-78.76	415.76	2.49	-76.27
CC(C)[C@H](C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025486147	0	54	0.0	-71.43	421.59	2.93	-68.50
CCC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025486174	0	57	0.0	-67.91	437.59	3.14	-64.77
CC[N@H+](C)CCC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025486204	0	51	0.0	-75.17	411.20	2.07	-73.10
CC[N@@H+](C)CCC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025486204	1	51	0.0	-75.12	411.20	2.07	-73.05
CC1CC(NC(=O)C[N@@H+]2CCCC2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486227	0	52	0.0	-71.41	416.50	2.64	-68.77
CC1CC(NC(=O)C[N@H+]2CCCC2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486227	1	52	0.0	-71.54	416.72	2.64	-68.90
CC1CC[N@H+](CC(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025486228	0	52	0.0	-73.83	416.73	2.63	-71.20
CC1CC[N@@H+](CC(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025486228	1	52	0.0	-73.48	416.60	2.52	-70.96
CC1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486230	0	55	0.0	-73.85	436.54	3.09	-70.76
CC1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486230	1	55	0.0	-67.45	436.84	3.09	-64.36
CC1CC(NC(=O)C[N@H+](C)CC(C)(C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486231	0	57	0.0	-74.37	440.95	3.40	-70.97
CC1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486231	1	57	0.0	-74.37	441.26	3.43	-70.94
CC[C@@H](C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025486238	0	51	0.0	-71.86	401.81	1.86	-70.00
CC1CC(NC(=O)C[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486310	0	45	0.0	-74.31	371.51	0.83	-73.48
CC1CC(NC(=O)C[NH+]2CCCCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486313	0	55	0.0	-74.49	424.34	3.25	-71.24
CC1CC(NC(=O)C[N+]2=CN(C)C=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486316	0	47	0.0	-70.62	402.40	4.35	-66.27
CC1CC(NC(=O)C2CCC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486320	0	52	0.0	-65.61	409.54	2.65	-62.96
CC1CC(NC(=O)C2CCC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486320	1	52	0.0	-67.53	409.43	2.68	-64.85
CC1CC(NC(=O)C2CCC[N@@H+]2C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486325	0	53	0.0	-74.31	423.90	2.85	-71.46
CC1CC(NC(=O)C2CCC[N@H+]2C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486325	1	53	0.0	-70.70	419.66	3.54	-67.16
CC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025486337	1	49	0.0	-69.86	398.36	1.91	-67.95
CCC(CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025486341	0	57	0.0	-68.39	446.74	3.44	-64.95
CC1CC(NC(=O)C(C)(C)C[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486346	0	54	0.0	-73.20	421.34	2.56	-70.64
CC1CC(NC(=O)C[NH+]2CCC(O)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486357	1	53	0.0	-79.26	423.93	-0.63	-79.89
CC1CC(NC(=O)C[N@H+](C)C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486358	0	49	0.0	-71.53	400.91	2.24	-69.29
CC1CC(NC(=O)C[N@@H+](C)C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486358	1	49	0.0	-70.97	400.38	2.26	-68.71
CC1CC(NC(=O)CC2C[NH+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486372	0	49	0.0	-73.19	402.95	1.65	-71.54
CC1CC(NC(=O)C2CC[N@@H+]2C(C)(C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486382	0	55	0.0	-71.10	433.04	2.58	-68.52
CC1CC(NC(=O)C2CC[N@H+]2C(C)(C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486382	1	55	0.0	-73.24	415.91	2.01	-71.23
C[C@@H](C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025486392	0	48	0.0	-73.04	389.28	1.26	-71.78
CC1CC(NC(=O)CN=[N+]=[N-])CN1C(=O)CSC1=NC(=O)NN1	REAL300025486399	0	39	0.0	-24.88	348.16	-3.58	-28.46
CC1CC(NC(=O)CN2C=CSC2=[NH2+])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486441	0	45	0.0	-70.50	398.20	1.03	-69.47
CC1CC(NC(=O)CC[N@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486446	0	52	0.0	-74.42	421.55	-1.16	-75.58
CC1CC(NC(=O)CC[N@@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486446	1	52	0.0	-74.66	421.54	-1.17	-75.83
C[C@@H](C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025486447	0	48	0.0	-73.04	389.28	1.26	-71.78
CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486450	0	52	0.0	-70.08	412.08	2.44	-67.64
CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486450	1	52	0.0	-68.72	402.64	2.26	-66.46
CC1CC(NC(=O)C[NH+]2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486495	1	46	0.0	-74.16	381.80	1.31	-72.85
CC1CC(NC(=O)C=C2CC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486509	0	50	0.0	-75.66	410.40	2.37	-73.29
CC1CC(NC(=O)C=C2CC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486509	1	50	0.0	-76.03	409.27	2.41	-73.62
CC1CC(NC(=O)COCC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486529	0	52	0.0	-73.59	427.38	1.88	-71.71
C=CCC(C)(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025486540	0	55	0.0	-67.11	427.04	2.85	-64.26
CC1CC(NC(=O)C2(C)CC(O)C[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486557	0	53	0.0	-81.65	420.76	-1.02	-82.67
CC1CN(CC(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025486574	0	49	0.0	-74.21	402.38	1.95	-72.26
CC1C[NH+](CC(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025486574	1	49	0.0	-74.21	402.38	1.95	-72.26
CC1CC(NC(=O)CN(C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486591	0	49	0.0	-74.34	399.21	-1.72	-76.06
CC1CC(NC(=O)C[N@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486591	1	49	0.0	-74.19	399.03	-1.73	-75.92
CC1CC(NC(=O)C[N@@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486591	1	49	0.0	-74.19	399.03	-1.73	-75.92
CC[N@@H+]1CCCC(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025486610	0	55	0.0	-65.76	427.12	3.32	-62.44
CC[N@H+]1CCCC(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025486610	1	55	0.0	-65.76	427.12	3.32	-62.44
CC(CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025486612	0	54	0.0	-79.66	428.65	2.81	-76.85
CC[N@H+](C)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025486615	0	48	0.0	-73.82	388.90	1.52	-72.30
CC[N@H+](CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025486639	0	52	0.0	-70.55	420.91	2.90	-67.65
CC[NH+](CC)CCC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025486647	0	54	0.0	-74.87	425.10	2.47	-72.40
CC1CC(NC(=O)C[N@@H+]2CCC(C)(O)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486677	0	53	0.0	-73.43	427.31	-0.74	-74.17
CC1CC(NC(=O)C=CC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486680	0	49	0.0	-76.80	408.73	2.07	-74.73
COCCN(C)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025486693	0	52	0.0	-72.83	420.23	0.67	-72.16
COCC[N@H+](C)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025486693	1	52	0.0	-75.54	421.51	0.68	-74.86
COCC[N@@H+](C)CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025486693	1	52	0.0	-75.54	421.51	0.68	-74.86
CC1CC(NC(=O)C2([NH+](C)C)CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486710	0	55	0.0	-80.24	423.60	3.41	-76.83
CC(CCC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025486712	0	54	0.0	-78.31	424.85	2.57	-75.74
CCN1CCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025486718	0	49	0.0	-71.59	395.65	1.51	-70.08
CC[N@@H+]1CCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025486718	1	49	0.0	-73.15	402.74	1.88	-71.27
CC[N@H+]1CCC1C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025486718	1	49	0.0	-73.15	402.74	1.88	-71.27
CC1CC(NC(=O)C[N@@H+]2CCCC2CO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486728	0	53	0.0	-73.41	425.91	-0.60	-74.01
CC1CC(NC(=O)C2(C)CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486744	0	55	0.0	-74.29	428.46	2.91	-71.38
C=CCC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025486760	0	52	0.0	-69.63	414.55	2.28	-67.35
CC1CC(NC(=O)C2CC(C)(C)C[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486767	0	55	0.0	-69.98	431.61	2.54	-67.44
CC1CC(NC(=O)CCCCC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486769	0	57	0.0	-74.52	458.37	3.74	-70.78
CCCC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025486786	0	54	0.0	-74.30	425.62	2.74	-71.56
CC1CC(NC(=O)C(C)(C)[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486789	0	51	0.0	-79.39	398.99	1.97	-77.42
CC1CC(NC(=O)C2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486812	0	52	0.0	-70.75	404.17	2.26	-68.49
CC1CC(NC(=O)CC2=CC[N@H+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486831	0	53	0.0	-68.92	430.38	3.16	-65.76
CC1CC(NC(=O)CC2=CC[N@@H+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486831	1	53	0.0	-68.92	430.38	3.16	-65.76
CC1CC(NC(=O)C=CC[NH+]2CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486861	0	53	0.0	-76.09	433.81	3.25	-72.84
CC1CC(NC(=O)CC[NH+]2CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486888	0	52	0.0	-74.76	419.44	2.59	-72.17
CC1CC(NC(=O)C23CC(C2)C[N@@H+]3C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486913	0	50	0.0	-76.83	403.34	2.00	-74.83
CC1CC(NC(=O)C[N@@H+]2CC3CCC2C3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486918	0	53	0.0	-72.61	417.61	2.95	-69.66
CC1CC(NC(=O)C[N@H+]2CC3CCC2C3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486918	1	53	0.0	-72.61	417.61	2.95	-69.66
CC1CC(NC(=O)CN2CC3C=CC2C3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486953	0	51	0.0	-64.01	410.39	2.75	-61.26
CC1CC(NC(=O)C[N@@H+]2CC3C=CC2C3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486953	1	51	0.0	-72.70	410.98	2.81	-69.89
CC1CC(NC(=O)C[N@H+]2CC3C=CC2C3)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486953	1	51	0.0	-72.70	410.98	2.81	-69.89
CC(C[NH+](C)C)C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025486983	0	51	0.0	-74.33	409.98	2.11	-72.22
CC1CC(NC(=O)CC2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025487022	0	55	0.0	-68.05	422.95	2.89	-65.16
CC1CC(NC(=O)CC2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025487022	1	55	0.0	-68.05	422.95	2.89	-65.16
CC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC(C)C1	REAL300025487031	0	52	0.0	-64.56	419.21	2.55	-62.01
CC(C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025487031	1	52	0.0	-64.56	419.21	2.55	-62.01
CC1CCN1CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025487033	0	49	0.0	-66.06	397.47	1.64	-64.42
CC1CC[N@@H+]1CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025487033	1	49	0.0	-73.34	402.74	1.93	-71.41
CC1CC[N@H+]1CC(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025487033	1	49	0.0	-73.34	402.74	1.93	-71.41
CC1CC(NC(=O)CC(O)C[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025487035	0	52	0.0	-78.38	424.21	-0.18	-78.56
CC1CC(NC(=O)C2CN(C)CC(C)O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025487052	0	53	0.0	-71.40	421.55	1.86	-69.54
CC1CC(NC(=O)C2C[N@H+](C)CC(C)O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025487052	1	53	0.0	-74.82	422.92	1.59	-73.23
CC1CC(NC(=O)C2C[N@@H+](C)CC(C)O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025487052	1	53	0.0	-74.82	422.92	1.59	-73.23
CC1CC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025487090	0	52	0.0	-75.37	421.09	2.57	-72.80
CC(CC[NH+](C)C)C(=O)NC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025487094	0	54	0.0	-73.69	431.55	2.73	-70.96
CC1CC(NC(=O)CN2CCN(C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025487109	0	54	0.0	-69.86	430.63	0.35	-69.51
CC1CC(NC(=O)CN2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025487109	1	54	0.0	-69.86	430.63	0.35	-69.51
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@@H+]1C	REAL300025487279	0	49	0.0	-62.12	389.66	1.28	-60.84
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@H+]1C	REAL300025487279	1	49	0.0	-62.09	389.62	1.29	-60.80
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[NH+]1CCOCC1	REAL300025487452	1	53	0.0	-68.36	426.47	0.80	-67.56
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC[N@H+](C)C1	REAL300025487478	0	52	0.0	-67.32	417.36	2.41	-64.91
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC[N@@H+](C)C1	REAL300025487478	1	52	0.0	-67.49	418.23	2.39	-65.10
CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025487484	0	51	0.0	-61.47	398.82	1.63	-59.84
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCCC[NH+](C)C	REAL300025487514	0	54	0.0	-69.02	436.76	2.95	-66.07
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025487526	0	54	0.0	-67.16	432.71	2.79	-64.37
CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025487526	1	54	0.0	-66.49	432.78	2.76	-63.73
CCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025487528	0	51	0.0	-63.99	410.43	2.18	-61.81
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025487528	1	51	0.0	-63.99	410.74	2.18	-61.81
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300025487538	0	53	0.0	-66.48	404.02	1.62	-64.86
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300025487538	1	53	0.0	-66.68	405.63	1.64	-65.04
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCC(C)CC1	REAL300025487561	0	55	0.0	-64.42	433.69	3.27	-61.15
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1(C[NH+](C)C)CC1	REAL300025487589	0	52	0.0	-62.28	418.62	2.43	-59.85
CC[N@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025487603	0	51	0.0	-66.54	411.21	2.04	-64.50
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025487603	1	51	0.0	-66.76	411.21	2.03	-64.73
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1C[NH+]2CCC1CC2	REAL300025487614	0	53	0.0	-65.67	407.96	2.32	-63.35
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[NH+](C)CC1	REAL300025487644	0	52	0.0	-68.38	413.59	2.32	-66.06
CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](CC)CC	REAL300025487721	0	57	0.0	-59.39	431.80	2.74	-56.65
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CCCC1C	REAL300025487729	0	52	0.0	-61.55	409.77	2.19	-59.36
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+]1CCCC1C	REAL300025487729	1	52	0.0	-59.36	410.42	2.16	-57.20
CC(C)[N@@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025487755	0	55	0.0	-60.38	424.99	2.69	-57.69
CC(C)[N@H+]1CCCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025487755	1	55	0.0	-62.47	421.59	3.19	-59.28
CC1CC[N@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025487769	0	52	0.0	-63.08	415.33	2.51	-60.57
CC1CC[N@@H+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025487769	1	52	0.0	-63.21	416.49	2.47	-60.74
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025487771	0	55	0.0	-63.12	435.69	3.04	-60.08
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+]1CCC(C)(C)C1	REAL300025487771	1	55	0.0	-63.63	434.97	3.02	-60.61
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300025487772	0	57	0.0	-63.20	441.64	3.35	-59.85
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300025487772	1	57	0.0	-63.44	439.04	3.17	-60.27
CC[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025487778	0	51	0.0	-62.12	398.00	1.68	-60.44
CC1=[NH+]C=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025487850	1	47	0.0	-61.85	400.94	2.39	-59.46
CC[N@@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025487888	1	53	0.0	-62.64	415.36	1.52	-61.12
CC[N@H+]1CCOC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025487888	1	53	0.0	-68.21	414.83	1.44	-66.77
CC1=C[NH+]=CN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025487902	1	47	0.0	-65.00	401.26	3.12	-61.88
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025487906	0	52	0.0	-66.34	406.40	2.04	-64.30
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025487906	1	52	0.0	-65.87	411.68	2.00	-63.87
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@@H+]1C	REAL300025487908	0	55	0.0	-66.56	425.54	2.32	-64.24
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)CC[N@H+]1C	REAL300025487908	1	55	0.0	-64.87	428.19	2.62	-62.25
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1C(C)CCC1C	REAL300025487912	0	55	0.0	-60.73	428.52	2.69	-58.04
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCC[NH+]1CCCC1	REAL300025487914	0	55	0.0	-66.20	441.02	3.33	-62.87
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[NH+]1CCCCC1	REAL300025487917	0	55	0.0	-66.07	435.12	3.25	-62.82
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)C1CCC1	REAL300025487983	0	52	0.0	-62.40	417.32	2.75	-59.65
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)C1CCC1	REAL300025487983	1	52	0.0	-61.98	417.73	2.77	-59.21
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[NH+](C)CC1	REAL300025488005	0	52	0.0	-68.38	413.59	2.32	-66.06
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300025488022	0	49	0.0	-62.23	392.66	1.60	-60.63
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCC[N@H+]1C	REAL300025488022	1	49	0.0	-60.70	390.01	1.31	-59.39
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCC1CCC[N@@H+]1C	REAL300025488040	0	55	0.0	-65.88	434.87	3.19	-62.69
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCC1CCC[N@H+]1C	REAL300025488040	1	55	0.0	-66.64	438.59	3.30	-63.34
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[N@H+](C)C1C	REAL300025488130	0	52	0.0	-65.53	405.13	1.73	-63.80
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[N@@H+](C)C1C	REAL300025488130	1	52	0.0	-68.07	407.11	1.79	-66.28
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025488169	0	55	0.0	-61.55	432.29	2.52	-59.03
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[N@H+]1C(C)(C)C	REAL300025488169	1	55	0.0	-60.53	411.14	1.85	-58.68
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025488182	0	48	0.0	-63.03	388.05	1.17	-61.86
C=CCC(C)(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025488194	0	55	0.0	-59.63	416.83	2.28	-57.35
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[NH+]1CCCC1	REAL300025488206	0	52	0.0	-65.35	419.52	2.52	-62.83
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)CCO	REAL300025488214	1	49	0.0	-64.74	398.18	-1.78	-66.52
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)CCO	REAL300025488214	1	49	0.0	-63.87	399.07	-1.81	-65.68
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1=CC[N@H+](C)CC1	REAL300025488255	0	53	0.0	-65.49	430.86	3.14	-62.35
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1=CC[N@@H+](C)CC1	REAL300025488255	1	53	0.0	-66.44	430.36	3.11	-63.33
CC1C[NH+](CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025488294	1	49	0.0	-64.87	401.18	1.96	-62.91
CC[N@@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025488298	0	55	0.0	-63.92	433.82	2.97	-60.95
CC[N@H+]1CCCC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025488298	1	55	0.0	-65.17	432.15	2.94	-62.23
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@@H+]1C1CC1	REAL300025488308	0	53	0.0	-59.39	427.81	3.07	-56.32
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@H+]1C1CC1	REAL300025488308	1	53	0.0	-58.48	422.35	3.06	-55.42
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=CC[NH+]1CCCC1	REAL300025488325	0	53	0.0	-68.52	432.77	3.21	-65.31
CC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025488353	0	48	0.0	-63.64	389.24	1.44	-62.20
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CN1CC2C=CC1C2	REAL300025488379	0	51	0.0	-61.03	409.56	2.65	-58.38
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CC2C=CC1C2	REAL300025488379	1	51	0.0	-62.04	409.57	2.76	-59.28
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+]1CC2C=CC1C2	REAL300025488379	1	51	0.0	-62.04	409.57	2.76	-59.28
COCCN(C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025488444	0	52	0.0	-63.68	421.33	0.59	-63.09
COCC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025488444	1	52	0.0	-64.61	421.84	0.61	-64.00
COCC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025488444	1	52	0.0	-64.61	421.84	0.61	-64.00
CC(CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025488447	0	54	0.0	-67.33	425.03	2.55	-64.78
CC[N@H+](CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300025488459	0	52	0.0	-61.36	418.01	2.80	-58.56
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CC2CCC1C2	REAL300025488487	0	53	0.0	-59.94	418.29	2.89	-57.05
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+]1CC2CCC1C2	REAL300025488487	1	53	0.0	-59.94	418.29	2.89	-57.05
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025488499	0	51	0.0	-66.00	405.27	1.76	-64.24
CCN1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025488522	0	49	0.0	-60.70	394.54	1.42	-59.28
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025488522	1	49	0.0	-61.43	394.23	1.36	-60.07
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025488522	1	49	0.0	-61.43	394.23	1.36	-60.07
CCC(C)(C)[NH2+]C(C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025488527	0	57	0.0	-62.65	436.06	1.26	-61.39
CCCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025488555	0	54	0.0	-62.67	421.96	2.54	-60.13
CC(CC[NH+](C)C)C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025488570	0	54	0.0	-67.39	426.90	2.38	-65.01
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC(C)(C)C[N@@H+]1C	REAL300025488614	0	55	0.0	-63.12	431.23	2.44	-60.68
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC(C)(C)C[N@H+]1C	REAL300025488614	1	55	0.0	-63.12	431.23	2.44	-60.68
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCCCC[NH+](C)C	REAL300025488616	0	57	0.0	-69.36	458.25	3.74	-65.62
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CN1CCN(C)CC1	REAL300025488623	0	54	0.0	-67.58	430.43	0.30	-67.28
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CN1CC[NH+](C)CC1	REAL300025488623	1	54	0.0	-67.58	430.43	0.30	-67.28
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CN(C)CC(C)O1	REAL300025488659	0	53	0.0	-66.28	416.41	1.53	-64.75
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1C[N@H+](C)CC(C)O1	REAL300025488659	1	53	0.0	-74.11	417.06	1.31	-72.80
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1C[N@@H+](C)CC(C)O1	REAL300025488659	1	53	0.0	-74.11	417.06	1.31	-72.80
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CC2CC2C1	REAL300025488685	0	50	0.0	-63.50	404.64	2.62	-60.88
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCCC[N@@H+]1C	REAL300025488698	0	52	0.0	-61.13	411.59	2.36	-58.77
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=C1CC[N@H+](C)C1	REAL300025488744	0	50	0.0	-70.61	408.06	2.37	-68.24
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=C1CC[N@@H+](C)C1	REAL300025488744	1	50	0.0	-70.61	408.06	2.37	-68.24
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CNC1=CC=[NH+]C=C1	REAL300025488746	0	48	0.0	-64.58	406.91	0.05	-64.53
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025488797	0	49	0.0	-61.80	394.59	1.63	-60.17
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300025488797	1	49	0.0	-61.80	394.59	1.63	-60.17
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025488864	0	52	0.0	-68.43	420.41	2.52	-65.91
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC=CC[N@@H+]1C	REAL300025488871	0	53	0.0	-67.17	422.99	2.89	-64.28
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC=CC[N@H+]1C	REAL300025488871	1	53	0.0	-67.17	422.99	2.89	-64.28
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)COCC[NH+](C)C	REAL300025488898	0	52	0.0	-67.67	427.26	1.89	-65.78
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CN1C=CSC1=[NH2+]	REAL300025488915	0	45	0.0	-60.61	398.57	0.97	-59.64
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCCCC1	REAL300025488958	0	52	0.0	-62.86	413.23	2.66	-60.20
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@H+](C)C1	REAL300025488959	0	52	0.0	-65.75	411.36	2.10	-63.65
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@@H+](C)C1	REAL300025488959	1	52	0.0	-63.63	405.99	2.44	-61.19
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCCCCC1	REAL300025488960	0	55	0.0	-62.89	422.16	2.81	-60.08
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N+]1=CN(C)C=C1	REAL300025488963	0	47	0.0	-63.93	402.35	4.31	-59.62
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCC(O)CC1	REAL300025488979	0	53	0.0	-67.18	424.03	-0.73	-67.91
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)C1CC1	REAL300025488980	1	49	0.0	-62.28	400.66	2.21	-60.07
CCOCC(N=[N+]=[N-])C(=O)N1CC(NC(=O)CSC2=NC(=O)NN2)CC1C	REAL300025488994	0	49	0.0	-23.37	421.25	-3.04	-26.41
CC(CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300025488997	0	54	0.0	-69.92	428.53	2.81	-67.11
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1COCCN1C	REAL300025489014	0	53	0.0	-69.38	421.79	0.61	-68.77
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1COCC[N@@H+]1C	REAL300025489014	1	53	0.0	-62.91	414.84	0.49	-62.42
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1COCC[N@H+]1C	REAL300025489014	1	53	0.0	-69.38	421.79	0.61	-68.77
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+]1CCC(C)(O)C1	REAL300025489061	1	53	0.0	-64.04	427.15	-0.78	-64.82
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1C[NH+](C)C1	REAL300025489082	0	49	0.0	-66.76	402.84	1.64	-65.12
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+](C)C	REAL300025489091	0	45	0.0	-65.49	371.39	0.79	-64.70
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[N@H+](C)CCO	REAL300025489104	0	52	0.0	-66.26	421.64	-1.21	-67.47
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[N@@H+](C)CCO	REAL300025489104	1	52	0.0	-66.24	421.54	-1.19	-67.43
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025489105	0	48	0.0	-63.03	388.05	1.17	-61.86
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CCCC[N@@H+]1C	REAL300025489115	0	55	0.0	-59.35	422.86	2.89	-56.46
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CCCC[N@H+]1C	REAL300025489115	1	55	0.0	-59.73	423.46	2.89	-56.84
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CC(C)C1	REAL300025489124	0	52	0.0	-63.77	419.88	2.36	-61.41
CC1CCN1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025489126	0	49	0.0	-63.45	401.48	1.88	-61.57
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025489126	1	49	0.0	-62.41	397.22	1.62	-60.79
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025489126	1	49	0.0	-63.45	401.48	1.88	-61.57
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=CC[NH+](C)C	REAL300025489130	0	49	0.0	-69.75	406.43	2.01	-67.74
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CC(C)(C)C1	REAL300025489134	1	52	0.0	-64.36	422.02	2.42	-61.94
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CCCC1CO	REAL300025489165	0	53	0.0	-62.92	421.17	-1.15	-64.07
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+]1CCCC1CO	REAL300025489165	1	53	0.0	-60.92	424.77	-0.67	-61.59
CC[NH+](CC)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025489167	0	51	0.0	-62.99	402.98	1.86	-61.13
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCC1	REAL300025489176	1	46	0.0	-64.85	381.69	1.27	-63.58
CC[NH+](CC)CCC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025489198	0	54	0.0	-65.59	429.34	2.74	-62.85
CC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CCC1	REAL300025489236	0	49	0.0	-63.09	397.94	1.68	-61.41
CCC(CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300025489241	0	57	0.0	-70.35	446.77	3.43	-66.92
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025489266	0	52	0.0	-62.71	411.44	2.30	-60.41
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300025489266	1	52	0.0	-63.48	403.68	2.05	-61.43
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC(O)C[NH+](C)C	REAL300025489282	0	52	0.0	-70.85	424.09	-0.20	-71.05
C=CCC(C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025489302	0	52	0.0	-61.09	413.72	2.24	-58.85
CC1CC(NC(=O)CSC(N)=[NH2+])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489328	0	43	0.0	-76.23	379.43	-2.22	-78.45
CC1CC(NC(=O)C2(CC[NH+](C)C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489351	0	55	0.0	-77.94	445.81	3.39	-74.55
CC1CC(NC(=O)CC2CC=CC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489352	0	53	0.0	-65.94	417.39	2.82	-63.12
CC1CC(NC(=O)CC2CC=CC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489352	1	53	0.0	-68.70	417.65	2.84	-65.86
CCC1CN(CC(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025489433	0	52	0.0	-75.40	423.62	2.66	-72.74
CCC1C[NH+](CC(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025489433	1	52	0.0	-75.40	423.62	2.66	-72.74
CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489438	0	49	0.0	-71.00	397.71	1.91	-69.09
CC1CC(NC(=O)C2CC[N@H+](C)C2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489460	0	52	0.0	-73.86	408.90	2.01	-71.85
CC1CC(NC(=O)C2CC[N@@H+](C)C2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489460	1	52	0.0	-73.86	408.90	2.01	-71.85
CC1CC(NC(=O)CC2COCCN2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489488	0	53	0.0	-71.65	414.24	0.53	-71.12
CC1CC(NC(=O)CC2COCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489488	1	53	0.0	-71.51	414.34	0.50	-71.01
CC1CC(NC(=O)CC2COCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489488	1	53	0.0	-71.51	414.34	0.50	-71.01
C[N@@H+]1CCCC1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489640	0	51	0.0	-69.48	409.44	1.44	-68.04
CCC(C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300025489740	0	53	0.0	-68.94	416.61	1.53	-67.41
CCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489745	0	53	0.0	-71.99	426.55	2.10	-69.89
CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489745	1	53	0.0	-71.99	426.55	2.10	-69.89
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489753	0	51	0.0	-69.56	407.27	1.44	-68.12
CC[NH+](CC)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489758	0	53	0.0	-70.33	417.48	1.62	-68.71
CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489814	0	53	0.0	-75.13	426.01	1.79	-73.34
CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489814	1	53	0.0	-75.13	426.01	1.79	-73.34
CC[C@@H](C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+](C)C	REAL300025489817	0	53	0.0	-71.18	419.50	1.69	-69.49
CC(C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)N1CCC1	REAL300025489839	0	51	0.0	-70.26	411.46	1.39	-68.87
CC(C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)[NH+]1CCC1	REAL300025489839	1	51	0.0	-70.26	411.46	1.39	-68.87
C[N@H+](CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2)C1CC1	REAL300025489845	0	51	0.0	-69.50	416.72	2.10	-67.40
C[NH+]1CC(CC(=O)N2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO3)C1	REAL300025489851	0	51	0.0	-75.32	418.61	1.51	-73.81
O=C(CN1CCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489897	0	48	0.0	-72.69	396.01	0.97	-71.72
O=C(C[NH+]1CCC1)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489897	1	48	0.0	-72.69	396.01	0.97	-71.72
CC1CN(CC(=O)N2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO3)C1	REAL300025489914	0	51	0.0	-72.49	417.20	1.64	-70.85
CC1C[NH+](CC(=O)N2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO3)C1	REAL300025489914	1	51	0.0	-72.49	417.20	1.64	-70.85
CC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489931	0	50	0.0	-71.68	405.03	1.35	-70.33
C[NH+](C)CC=CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489947	0	51	0.0	-79.43	423.14	1.88	-77.55
CCN1CCC1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489953	0	51	0.0	-70.07	407.35	1.29	-68.78
CC[N@@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489953	1	51	0.0	-64.00	409.50	1.14	-62.86
CC[N@H+]1CCC1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489953	1	51	0.0	-64.00	409.50	1.14	-62.86
C[NH+](C)C(C)(C)C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025489966	0	53	0.0	-76.18	408.28	1.60	-74.58
CC(C[NH+](C)C)C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025490010	0	53	0.0	-74.71	423.39	1.73	-72.98
CC1CCN1CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025490019	0	51	0.0	-70.01	412.90	1.49	-68.52
CC1CC[N@@H+]1CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025490019	1	51	0.0	-60.21	412.85	1.48	-58.73
CC1CC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025490019	1	51	0.0	-60.21	412.85	1.48	-58.73
C[N@@H+]1CCCC1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490128	0	51	0.0	-73.97	408.49	1.27	-72.70
CCC(C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025490199	0	53	0.0	-72.37	409.57	1.29	-71.08
CCC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490203	0	53	0.0	-77.39	425.13	1.88	-75.51
CCC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490203	1	53	0.0	-76.57	425.09	1.88	-74.69
CC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490220	0	53	0.0	-77.28	425.95	1.75	-75.53
CC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490220	1	53	0.0	-77.37	425.94	1.75	-75.62
CC[C@@H](C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025490260	0	53	0.0	-73.76	416.69	1.54	-72.22
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490306	0	51	0.0	-72.79	405.74	1.15	-71.64
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490306	1	51	0.0	-70.08	409.86	1.46	-68.62
C[C@@H](C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025490360	0	50	0.0	-71.67	402.37	0.94	-70.73
CC1C[NH+](CC(=O)N2CCOC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025490384	1	51	0.0	-75.71	418.41	1.70	-74.01
CC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490402	0	50	0.0	-76.98	403.61	1.13	-75.85
CC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490402	1	50	0.0	-77.03	403.63	1.14	-75.89
CC(C[NH+](C)C)C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490432	0	53	0.0	-71.90	423.42	1.56	-70.34
C[NH+](C)C1(C(=O)N2CCOC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)CC1	REAL300025490435	0	51	0.0	-77.71	409.83	1.30	-76.41
C[C@H](C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025490439	0	50	0.0	-71.11	402.48	0.91	-70.20
CC[N@@H+]1CCC1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490442	1	51	0.0	-73.77	408.87	1.17	-72.60
CC[N@H+]1CCC1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490442	1	51	0.0	-75.09	418.40	1.58	-73.51
C[NH+](C)C(C)(C)C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490450	0	53	0.0	-74.54	406.54	0.90	-73.64
[N-]=[N+]=NCC(=O)N1CCOC2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025490496	0	41	0.0	-24.63	362.82	-3.94	-28.57
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490509	0	51	0.0	-70.39	407.08	1.36	-69.03
C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490509	1	51	0.0	-74.08	405.70	1.13	-72.95
C[N@H+](CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025490546	0	51	0.0	-74.05	415.17	1.88	-72.17
C[N@@H+](CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)C1CC1	REAL300025490546	1	51	0.0	-73.21	415.12	1.87	-71.34
C[NH+]1CC(CC(=O)N2CCOC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C1	REAL300025490574	0	51	0.0	-75.90	417.15	1.34	-74.56
C[NH+](C)CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490577	0	47	0.0	-76.84	385.85	0.46	-76.38
C[C@@H](C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025490580	0	50	0.0	-71.67	402.37	0.94	-70.73
CC1CC[N@@H+]1CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490587	1	51	0.0	-75.70	417.23	1.56	-74.14
CC1CC[N@H+]1CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490587	1	51	0.0	-75.72	417.49	1.49	-74.23
C[NH+](C)CC=CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490588	0	51	0.0	-82.72	420.78	1.69	-81.03
CC[NH+](CC)CC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025490594	0	53	0.0	-74.71	421.90	1.82	-72.89
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C[NH+]1CCC1)CCO2	REAL300025490595	1	48	0.0	-74.29	397.34	1.07	-73.22
CC(C(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+]1CCC1	REAL300025490617	1	51	0.0	-73.28	404.56	1.10	-72.18
C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025490685	0	51	0.0	-59.38	411.74	1.57	-57.81
C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025490685	1	51	0.0	-65.34	404.87	1.03	-64.31
CC1CN(C(=O)C2CCC[N@@H+]2C)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025490838	0	55	0.0	-65.37	414.09	4.09	-61.28
CC1CN(C(=O)C2CCC[N@H+]2C)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025490838	1	55	0.0	-54.93	408.08	3.75	-51.18
CCC(C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025490938	0	57	0.0	-64.34	428.23	4.76	-59.58
CCC[N@H+](C)CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025490943	0	57	0.0	-61.41	434.18	5.00	-56.41
CCC[N@@H+](C)CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025490943	1	57	0.0	-61.26	430.19	4.68	-56.58
CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025490951	0	55	0.0	-58.50	411.77	4.03	-54.47
CC1CN(C(=O)[C@H]2CCC[N@H+]2C)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025490951	1	55	0.0	-55.28	412.43	4.06	-51.22
CC[NH+](CC)CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025490956	0	57	0.0	-58.69	430.86	4.91	-53.78
CC[N@H+](C)CCC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025491012	0	57	0.0	-63.51	430.99	4.55	-58.96
CC[N@@H+](C)CCC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025491012	1	57	0.0	-63.27	435.46	4.86	-58.41
CC[C@@H](C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025491015	0	57	0.0	-62.04	422.14	4.43	-57.61
CC1CN(C(=O)C[NH+](C)C)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491033	0	51	0.0	-61.84	395.04	3.59	-58.25
CC(C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+]1CCC1	REAL300025491037	1	55	0.0	-60.23	412.62	4.06	-56.17
CC1CN(C(=O)C[N@H+](C)C2CC2)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491043	0	55	0.0	-59.49	420.25	4.67	-54.82
CC1CN(C(=O)C[N@@H+](C)C2CC2)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491043	1	55	0.0	-65.71	426.46	5.07	-60.64
CC1CN(C(=O)CC2C[NH+](C)C2)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491049	0	55	0.0	-65.84	422.36	4.15	-61.69
C[C@@H](C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025491056	0	54	0.0	-63.52	410.48	3.87	-59.65
CC1CN(C(=O)CN=[N+]=[N-])CC(C)N(C(=O)CSC2=NC(=O)NN2)C1	REAL300025491059	0	45	0.0	-22.35	372.33	-0.85	-23.20
C[C@@H](C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025491077	0	54	0.0	-63.52	410.48	3.87	-59.65
CC1CN(C(=O)C[NH+]2CCC2)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491095	1	52	0.0	-68.97	407.35	4.07	-64.90
C[C@H](C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1)[NH+](C)C	REAL300025491106	0	54	0.0	-58.28	409.81	3.88	-54.40
CC1C[NH+](CC(=O)N2CC(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)C1	REAL300025491112	1	55	0.0	-61.00	425.47	4.72	-56.28
CC[N@H+](C)CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025491129	0	54	0.0	-61.07	412.68	4.26	-56.81
CC[N@@H+](C)CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025491129	1	54	0.0	-61.03	412.76	4.27	-56.76
CC1CN(C(=O)C=CC[NH+](C)C)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491145	0	55	0.0	-75.87	429.86	5.03	-70.84
CC[N@@H+]1CCC1C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025491151	1	55	0.0	-62.04	411.89	3.82	-58.22
CC[N@H+]1CCC1C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025491151	1	55	0.0	-60.64	425.05	4.52	-56.12
CC1CN(C(=O)C(C)(C)[NH+](C)C)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491164	0	57	0.0	-71.97	400.79	3.97	-68.00
CC1CN(C(=O)C2([NH+](C)C)CC2)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491186	0	55	0.0	-68.08	417.30	4.43	-63.65
CC(C[NH+](C)C)C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025491208	0	57	0.0	-65.01	430.04	4.65	-60.36
CC1CC[N@@H+]1CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025491217	1	55	0.0	-59.12	416.63	4.09	-55.03
CC1CC[N@H+]1CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1	REAL300025491217	1	55	0.0	-61.28	422.29	4.35	-56.93
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)C2CCC[N@@H+]2C)C1	REAL300025491326	0	55	0.0	-62.35	413.19	4.14	-58.21
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)C2CCC[N@H+]2C)C1	REAL300025491326	1	55	0.0	-61.03	409.35	3.82	-57.21
CCC(C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025491397	0	57	0.0	-55.54	427.04	4.64	-50.90
CCC[N@H+](C)CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025491400	0	57	0.0	-64.66	434.22	5.01	-59.65
CCC[N@@H+](C)CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025491400	1	57	0.0	-64.61	434.17	5.01	-59.60
CC[N@H+](C)CCC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025491416	0	57	0.0	-74.71	434.91	5.05	-69.66
CC[N@@H+](C)CCC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025491416	1	57	0.0	-74.82	434.91	5.04	-69.78
CC[C@@H](C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025491441	0	57	0.0	-68.32	417.03	4.23	-64.09
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300025491478	0	55	0.0	-69.25	416.13	4.55	-64.70
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300025491478	1	55	0.0	-60.49	413.72	4.09	-56.40
C[C@@H](C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025491522	0	54	0.0	-61.94	411.94	3.93	-58.01
CC1C[NH+](CC(=O)N2CC(C)CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025491546	1	55	0.0	-65.87	421.82	4.36	-61.51
CC[N@H+](C)CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025491562	0	54	0.0	-64.30	412.72	4.26	-60.04
CC[N@@H+](C)CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025491562	1	54	0.0	-64.28	412.68	4.27	-60.01
CC(C[NH+](C)C)C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025491587	0	57	0.0	-58.83	433.17	4.78	-54.05
C[C@H](C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025491591	0	54	0.0	-65.71	407.45	3.83	-61.88
CC[N@@H+]1CCC1C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025491594	1	55	0.0	-62.84	418.39	4.19	-58.65
CC[N@H+]1CCC1C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025491594	1	55	0.0	-62.92	418.57	4.21	-58.71
CC1CN(C(=O)CSC2=NC(=O)NN2)CC(C)N(C(=O)CN=[N+]=[N-])C1	REAL300025491641	0	45	0.0	-21.02	371.80	-0.60	-21.62
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300025491650	0	55	0.0	-60.65	413.86	4.10	-56.55
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300025491650	1	55	0.0	-63.86	411.80	4.10	-59.76
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)C[N@H+](C)C2CC2)C1	REAL300025491680	0	55	0.0	-61.62	424.40	5.02	-56.60
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)C[N@@H+](C)C2CC2)C1	REAL300025491680	1	55	0.0	-62.12	420.15	4.69	-57.43
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)CC2C[NH+](C)C2)C1	REAL300025491704	0	55	0.0	-64.72	426.83	4.43	-60.29
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)C[NH+](C)C)C1	REAL300025491707	0	51	0.0	-64.77	395.01	3.61	-61.16
C[C@@H](C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025491710	0	54	0.0	-61.94	411.94	3.93	-58.01
CC1CC[N@@H+]1CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025491715	1	55	0.0	-70.99	420.56	4.60	-66.39
CC1CC[N@H+]1CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025491715	1	55	0.0	-64.65	426.37	4.69	-59.96
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)C=CC[NH+](C)C)C1	REAL300025491716	0	55	0.0	-65.44	426.67	4.51	-60.93
CC[NH+](CC)CC(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025491722	0	57	0.0	-64.33	426.84	4.65	-59.68
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)C[NH+]2CCC2)C1	REAL300025491723	1	52	0.0	-66.37	401.14	3.75	-62.62
CC(C(=O)N1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CCC1	REAL300025491740	1	55	0.0	-63.44	416.07	4.13	-59.31
CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491799	0	55	0.0	-65.40	413.69	4.14	-61.26
CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491799	1	55	0.0	-62.78	415.35	4.10	-58.68
C[NH+](C)CC(=O)NC1CCCC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025491922	0	52	0.0	-76.60	397.86	2.89	-73.71
C[C@@H](C(=O)NC1CCCC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025491927	0	55	0.0	-73.74	416.06	3.30	-70.44
[N-]=[N+]=NCC(=O)NC1CCCC2CCC1N2C(=O)CSC1=NC(=O)NN1	REAL300025491930	0	46	0.0	-26.34	374.81	-1.50	-27.84
C[C@@H](C(=O)NC1CCCC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025491940	0	55	0.0	-73.74	416.06	3.30	-70.44
C[C@H](C(=O)NC1CCCC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025491953	0	55	0.0	-73.35	418.37	3.41	-69.94
CC[N@H+](C)CC(=O)NC1CCCC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025491965	0	55	0.0	-75.74	417.94	3.68	-72.06
CC[N@@H+](C)CC(=O)NC1CCCC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025491965	1	55	0.0	-54.38	415.78	3.99	-50.39
C[C@@H](C(=O)N1C2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025492111	0	55	0.0	-71.35	414.74	3.57	-67.78
CC[N@H+](C)CC(=O)N1C2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025492130	0	55	0.0	-73.59	415.86	3.55	-70.04
CC[N@@H+](C)CC(=O)N1C2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025492130	1	55	0.0	-73.66	415.86	3.54	-70.12
C[C@H](C(=O)N1C2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025492143	0	55	0.0	-71.01	412.18	3.11	-67.90
[N-]=[N+]=NCC(=O)N1C2CCC1C(NC(=O)CSC1=NC(=O)NN1)CCC2	REAL300025492168	0	46	0.0	-26.05	376.89	-1.48	-27.53
C[NH+](C)CC(=O)N1C2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025492199	0	52	0.0	-74.54	399.94	2.92	-71.62
C[C@@H](C(=O)N1C2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)CCC2)[NH+](C)C	REAL300025492202	0	55	0.0	-71.35	414.74	3.57	-67.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC2CCC1N2C(=O)C[NH+]1CCC1	REAL300025492209	1	53	0.0	-74.31	408.23	3.30	-71.01
CC(NC(=O)C[NH+](C)C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025492331	0	52	0.0	-71.42	407.69	-0.39	-71.81
CC(NC(=O)CN=[N+]=[N-])C1(O)CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025492337	0	46	0.0	-24.41	384.65	-4.80	-29.21
CC(NC(=O)CSC1=NC(=O)NN1)C1(O)CCN(C(=O)CN=[N+]=[N-])CC1	REAL300025492511	0	46	0.0	-25.05	384.65	-4.91	-29.96
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C[NH+](C)C)CC1	REAL300025492533	0	52	0.0	-72.88	407.68	-0.50	-73.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025492542	1	53	0.0	-76.11	418.23	-0.04	-76.15
C[NH+](C)CC(=O)NC1CC1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025492660	0	52	0.0	-74.41	418.84	2.92	-71.49
C[C@@H](C(=O)NC1CC1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025492665	0	55	0.0	-71.45	437.08	3.38	-68.07
[N-]=[N+]=NCC(=O)NC1CC1C1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025492668	0	46	0.0	-23.82	395.81	-1.48	-25.30
C[C@@H](C(=O)NC1CC1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025492678	0	55	0.0	-71.45	437.08	3.38	-68.07
O=C(C[NH+]1CCC1)NC1CC1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025492686	1	53	0.0	-73.07	429.22	3.36	-69.71
C[C@H](C(=O)NC1CC1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025492691	0	55	0.0	-70.80	437.20	3.37	-67.43
CC[N@H+](C)CC(=O)NC1CC1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025492703	0	55	0.0	-73.74	436.58	3.61	-70.13
CC[N@@H+](C)CC(=O)NC1CC1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025492703	1	55	0.0	-73.81	436.58	3.61	-70.20
C[C@@H](C(=O)N1CCCC(C2CC2NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025492849	0	55	0.0	-70.44	435.25	3.22	-67.22
CC[N@H+](C)CC(=O)N1CCCC(C2CC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025492868	0	55	0.0	-71.92	436.90	3.53	-68.39
CC[N@@H+](C)CC(=O)N1CCCC(C2CC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025492868	1	55	0.0	-70.32	431.03	4.34	-65.98
C[C@H](C(=O)N1CCCC(C2CC2NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025492881	0	55	0.0	-70.84	434.48	3.17	-67.67
[N-]=[N+]=NCC(=O)N1CCCC(C2CC2NC(=O)CSC2=NC(=O)NN2)C1	REAL300025492906	0	46	0.0	-23.40	390.25	-0.76	-24.16
C[NH+](C)CC(=O)N1CCCC(C2CC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025492937	0	52	0.0	-72.53	419.18	2.86	-69.67
C[C@@H](C(=O)N1CCCC(C2CC2NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025492940	0	55	0.0	-70.44	435.25	3.22	-67.22
O=C(CSC1=NNC(=O)[N-]1)NC1CC1C1CCCN(C(=O)C[NH+]2CCC2)C1	REAL300025492947	1	53	0.0	-72.76	429.47	3.33	-69.43
CCC(=O)N1CC[NH+](CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025492991	0	55	0.0	-83.83	424.43	4.48	-79.35
CC(=O)N1CC[NH+](CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025492992	0	52	0.0	-83.84	402.35	3.62	-80.22
O=C(CO)N1CC[NH+](CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025492993	0	53	0.0	-89.15	414.89	1.59	-87.56
CCC(=O)N1CCC(C[NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025492994	0	55	0.0	-80.77	424.43	4.47	-76.30
CC(=O)N1CCC(C[NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025492995	0	52	0.0	-81.02	403.11	3.65	-77.37
O=C(CO)N1CCC(C[NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025492996	0	53	0.0	-85.97	414.90	1.57	-84.40
C=CC(=O)N1CCC(C[NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025492997	0	53	0.0	-82.95	415.20	4.18	-78.77
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C2CCC[N@@H+]2C)C1	REAL300025493087	0	54	0.0	-67.88	423.43	0.06	-67.82
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C2CCC[N@H+]2C)C1	REAL300025493087	1	54	0.0	-67.29	422.69	-0.05	-67.34
CCC(C(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025493177	0	56	0.0	-66.43	424.51	0.12	-66.31
CCC[N@H+](C)CC(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025493182	0	56	0.0	-70.93	435.77	0.39	-70.54
CCC[N@@H+](C)CC(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025493182	1	56	0.0	-70.91	436.41	0.45	-70.46
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300025493189	0	54	0.0	-67.60	423.00	0.06	-67.54
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)[C@H]2CCC[N@H+]2C)C1	REAL300025493189	1	54	0.0	-70.81	416.76	-0.50	-71.31
CC[NH+](CC)CC(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025493194	0	56	0.0	-69.23	432.20	0.32	-68.91
CC[N@H+](C)CCC(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025493247	0	56	0.0	-74.07	436.64	0.17	-73.90
CC[N@@H+](C)CCC(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025493247	1	56	0.0	-74.07	436.68	0.19	-73.88
CC[C@@H](C(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025493250	0	56	0.0	-66.69	425.91	0.14	-66.55
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C[NH+](C)C)C1	REAL300025493267	0	50	0.0	-71.36	396.58	-1.02	-72.38
CC(C(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025493271	1	54	0.0	-68.64	425.38	0.09	-68.55
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C[N@H+](C)C2CC2)C1	REAL300025493277	0	54	0.0	-68.47	425.98	0.38	-68.09
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C[N@@H+](C)C2CC2)C1	REAL300025493277	1	54	0.0	-67.69	425.85	0.38	-67.31
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)CC2C[NH+](C)C2)C1	REAL300025493282	0	54	0.0	-73.54	428.03	-0.20	-73.74
C[C@@H](C(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025493289	0	53	0.0	-69.41	415.27	-0.62	-70.03
CN1CCN(C(=O)CSC2=NC(=O)NN2)C(CNC(=O)CN=[N+]=[N-])C1	REAL300025493292	0	44	0.0	-24.53	373.54	-5.42	-29.95
C[C@@H](C(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025493309	0	53	0.0	-69.41	415.27	-0.62	-70.03
C[C@H](C(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025493329	0	53	0.0	-69.56	414.90	-0.61	-70.17
CC1C[NH+](CC(=O)NCC2CN(C)CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493335	1	54	0.0	-72.25	427.19	0.17	-72.08
CC[N@H+](C)CC(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025493350	0	53	0.0	-70.66	414.27	-0.36	-71.02
CC[N@@H+](C)CC(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025493350	1	53	0.0	-70.74	414.92	-0.30	-71.04
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C=CC[NH+](C)C)C1	REAL300025493365	0	54	0.0	-77.98	432.51	0.17	-77.81
CC[N@@H+]1CCC1C(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025493369	1	54	0.0	-68.61	422.19	-0.24	-68.85
CC[N@H+]1CCC1C(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025493369	1	54	0.0	-70.81	428.64	0.03	-70.78
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C(C)(C)[NH+](C)C)C1	REAL300025493381	0	56	0.0	-76.57	424.14	0.14	-76.43
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C2([NH+](C)C)CC2)C1	REAL300025493400	0	54	0.0	-77.18	421.01	-0.13	-77.31
CC(C[NH+](C)C)C(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025493417	0	56	0.0	-74.01	434.98	0.24	-73.77
CC1CC[N@@H+]1CC(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025493424	1	54	0.0	-68.96	422.84	-0.19	-69.15
CC1CC[N@H+]1CC(=O)NCC1CN(C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025493424	1	54	0.0	-68.76	422.98	-0.15	-68.91
CN1CCN(C(=O)C2CCC[N@@H+]2C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493527	0	54	0.0	-69.16	419.42	-0.22	-69.38
CN1CCN(C(=O)C2CCC[N@H+]2C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493527	1	54	0.0	-68.55	414.50	0.42	-68.13
CC(=O)N1CC[N@@H+](C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493587	1	42	0.0	-84.09	335.45	-0.73	-84.82
CC(=O)N1CC[N@H+](C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493587	1	42	0.0	-74.89	344.24	0.19	-74.70
CCC(C(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025493593	0	56	0.0	-64.92	423.60	0.82	-64.10
CCC[N@H+](C)CC(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493596	0	56	0.0	-72.86	436.34	0.33	-72.53
CCC[N@@H+](C)CC(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493596	1	56	0.0	-72.47	435.77	0.29	-72.18
CC[N@H+](C)CCC(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493610	0	56	0.0	-74.65	436.62	0.17	-74.48
CC[N@@H+](C)CCC(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493610	1	56	0.0	-74.71	436.64	0.15	-74.56
CC[C@@H](C(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025493635	0	56	0.0	-66.53	425.86	0.96	-65.57
CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493666	0	54	0.0	-69.34	419.09	-0.27	-69.61
CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493666	1	54	0.0	-69.85	415.23	-0.54	-70.39
C[C@@H](C(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025493708	0	53	0.0	-66.86	410.76	0.24	-66.62
CC1C[NH+](CC(=O)N2CCN(C)CC2CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493729	1	54	0.0	-73.14	428.40	0.02	-73.12
CC[N@H+](C)CC(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493745	0	53	0.0	-72.66	414.84	-0.41	-73.07
CC[N@@H+](C)CC(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493745	1	53	0.0	-72.23	414.25	-0.44	-72.67
CC(C[NH+](C)C)C(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493765	0	56	0.0	-61.68	430.35	0.84	-60.84
C[C@H](C(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025493769	0	53	0.0	-66.99	413.06	0.24	-66.75
CC[N@@H+]1CCC1C(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493771	1	54	0.0	-69.88	418.89	-0.47	-70.35
CC[N@H+]1CCC1C(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493771	1	54	0.0	-72.03	427.26	-0.13	-72.16
CN1CCN(C(=O)CN=[N+]=[N-])C(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025493814	0	44	0.0	-24.68	373.49	-5.50	-30.18
CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493822	0	54	0.0	-67.18	409.88	0.40	-66.78
CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493822	1	54	0.0	-68.66	419.55	-0.28	-68.94
CN1CCN(C(=O)C[N@H+](C)C2CC2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493848	0	54	0.0	-70.00	425.92	0.31	-69.69
CN1CCN(C(=O)C[N@@H+](C)C2CC2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493848	1	54	0.0	-68.99	425.79	0.31	-68.68
CN1CCN(C(=O)CC2C[NH+](C)C2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493867	0	54	0.0	-73.17	427.98	-0.24	-73.41
CN1CCN(C(=O)C[NH+](C)C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493870	0	50	0.0	-72.75	396.52	-1.10	-73.85
C[C@@H](C(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025493873	0	53	0.0	-66.86	410.76	0.24	-66.62
CC1CC[N@@H+]1CC(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493878	1	54	0.0	-70.26	422.37	-0.29	-70.55
CC1CC[N@H+]1CC(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493878	1	54	0.0	-71.59	427.98	0.00	-71.59
CN1CCN(C(=O)C=CC[NH+](C)C)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493879	0	54	0.0	-71.13	430.39	1.09	-70.04
CC[NH+](CC)CC(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025493885	0	56	0.0	-70.79	427.90	-0.06	-70.85
CN1CCN(C(=O)C[NH+]2CCC2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493886	1	51	0.0	-73.30	407.42	-0.60	-73.90
CC(C(=O)N1CCN(C)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025493899	1	54	0.0	-66.88	422.31	0.72	-66.16
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300025493948	0	54	0.0	-70.69	416.70	-0.46	-71.15
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300025493948	1	54	0.0	-67.73	423.17	0.04	-67.69
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2CCCCC12	REAL300025494067	0	52	0.0	-73.15	407.70	2.71	-70.44
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2CCCCC12)[NH+](C)C	REAL300025494072	0	55	0.0	-69.96	425.77	3.14	-66.82
[N-]=[N+]=NCC(=O)NC1CN(C(=O)CSC2=NC(=O)NN2)C2CCCCC12	REAL300025494075	0	46	0.0	-22.56	384.66	-1.69	-24.25
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2CCCCC12)[NH+](C)C	REAL300025494085	0	55	0.0	-69.96	425.77	3.14	-66.82
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2CCCCC12)[NH+](C)C	REAL300025494098	0	55	0.0	-71.75	430.18	2.81	-68.94
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2CCCCC12	REAL300025494110	0	55	0.0	-72.33	430.13	3.06	-69.27
CC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2CCCCC12	REAL300025494110	1	55	0.0	-72.21	430.13	3.06	-69.15
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2CCCCC21)[NH+](C)C	REAL300025494248	0	55	0.0	-63.42	427.20	2.66	-60.76
CC[N@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2CCCCC21	REAL300025494266	0	55	0.0	-64.19	425.49	3.29	-60.90
CC[N@@H+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2CCCCC21	REAL300025494266	1	55	0.0	-64.08	425.13	3.30	-60.78
C[C@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2CCCCC21)[NH+](C)C	REAL300025494275	0	55	0.0	-64.70	428.31	2.70	-62.00
[N-]=[N+]=NCC(=O)N1CC(NC(=O)CSC2=NC(=O)NN2)C2CCCCC21	REAL300025494297	0	46	0.0	-23.02	388.87	-2.03	-25.05
C[NH+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2CCCCC21	REAL300025494322	0	52	0.0	-65.24	412.21	2.36	-62.88
C[C@@H](C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2CCCCC21)[NH+](C)C	REAL300025494325	0	55	0.0	-63.42	427.20	2.66	-60.76
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[NH+]2CCC2)C2CCCCC12	REAL300025494331	1	53	0.0	-65.35	417.67	3.16	-62.19
C[NH+](C)CC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)O1	REAL300025494449	0	52	0.0	-69.94	417.69	0.79	-69.15
CC1(C)CN(C(=O)CSC2=NC(=O)NN2)CC(CNC(=O)CN=[N+]=[N-])O1	REAL300025494455	0	46	0.0	-23.26	394.39	-3.54	-26.80
CC1(C)CN(C(=O)CN=[N+]=[N-])CC(CNC(=O)CSC2=NC(=O)NN2)O1	REAL300025494637	0	46	0.0	-24.02	394.34	-3.64	-27.66
C[NH+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)OC(C)(C)C1	REAL300025494659	0	52	0.0	-73.90	417.37	0.75	-73.15
C[NH+](C)CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025494787	0	52	0.0	-74.80	416.59	3.73	-71.07
C[C@@H](C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025494792	0	55	0.0	-72.94	433.98	4.07	-68.87
[N-]=[N+]=NCC(=O)N1CC(C2CCN(C(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025494795	0	46	0.0	-26.36	393.55	-0.68	-27.04
C[C@@H](C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025494805	0	55	0.0	-72.94	433.98	4.07	-68.87
O=C(C[NH+]1CCC1)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025494813	1	53	0.0	-74.70	426.62	4.17	-70.53
C[C@H](C(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1)[NH+](C)C	REAL300025494818	0	55	0.0	-73.76	434.45	4.08	-69.68
CC[N@H+](C)CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025494830	0	55	0.0	-74.06	434.34	4.40	-69.66
CC[N@@H+](C)CC(=O)N1CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025494830	1	55	0.0	-74.24	434.27	4.39	-69.85
C[C@@H](C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025494976	0	55	0.0	-73.86	433.19	3.93	-69.93
CC[N@H+](C)CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025494995	0	55	0.0	-75.31	434.35	4.32	-70.99
CC[N@@H+](C)CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025494995	1	55	0.0	-75.25	434.26	4.31	-70.94
C[C@H](C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025495008	0	55	0.0	-73.61	432.60	3.97	-69.64
[N-]=[N+]=NCC(=O)N1CCC(C2CN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025495033	0	46	0.0	-26.63	393.41	-0.87	-27.50
C[NH+](C)CC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025495064	0	52	0.0	-76.11	416.58	3.65	-72.46
C[C@@H](C(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1)[NH+](C)C	REAL300025495067	0	55	0.0	-73.86	433.19	3.93	-69.93
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CCN(C(=O)C[NH+]3CCC3)CC2)C1	REAL300025495074	1	53	0.0	-75.77	426.57	3.96	-71.81
C[N@@H+]1CCCC1C(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495205	0	53	0.0	-71.82	414.29	0.77	-71.05
C[N@H+]1CCCC1C(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495205	1	53	0.0	-71.92	414.36	0.80	-71.12
C[N@@H+]1CCC[C@@H]1C(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495298	0	53	0.0	-68.48	414.35	0.79	-67.69
C[N@H+]1CCC[C@@H]1C(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495298	1	53	0.0	-68.10	419.42	1.30	-66.80
C[NH+](C)CC(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495373	0	49	0.0	-71.79	394.36	0.24	-71.55
CC(C(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025495377	1	53	0.0	-68.50	422.50	1.29	-67.21
C[N@H+](CC(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025495382	0	53	0.0	-68.72	423.62	1.65	-67.07
C[N@@H+](CC(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025495382	1	53	0.0	-68.39	423.63	1.65	-66.74
C[NH+]1CC(CC(=O)NCC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025495387	0	53	0.0	-72.25	425.79	1.07	-71.18
C[C@@H](C(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025495394	0	52	0.0	-68.89	412.25	0.67	-68.22
[N-]=[N+]=NCC(=O)NCC1COCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025495397	0	43	0.0	-24.03	371.32	-4.16	-28.19
C[C@@H](C(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025495414	0	52	0.0	-68.89	412.25	0.67	-68.22
O=C(C[NH+]1CCC1)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495426	1	50	0.0	-71.28	404.45	0.67	-70.61
C[C@H](C(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025495434	0	52	0.0	-70.76	412.52	0.65	-70.11
CC1C[NH+](CC(=O)NCC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025495440	1	53	0.0	-71.46	425.62	1.35	-70.11
CC[N@H+](C)CC(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495455	0	52	0.0	-70.98	412.09	0.92	-70.06
CC[N@@H+](C)CC(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495455	1	52	0.0	-70.94	412.08	0.92	-70.02
C[NH+](C)CC=CC(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495470	0	53	0.0	-75.49	430.32	1.45	-74.04
CC[N@@H+]1CCC1C(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495474	1	53	0.0	-68.69	419.22	0.99	-67.70
CC[N@H+]1CCC1C(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495474	1	53	0.0	-70.26	425.99	1.27	-68.99
C[NH+](C)C1(C(=O)NCC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025495503	0	53	0.0	-74.79	416.78	1.59	-73.20
CC1CC[N@@H+]1CC(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495526	1	53	0.0	-69.38	420.14	1.06	-68.32
CC1CC[N@H+]1CC(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495526	1	53	0.0	-69.81	425.67	1.33	-68.48
C[N@@H+]1CCCC1C(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495626	0	53	0.0	-71.66	412.71	0.71	-70.95
C[N@H+]1CCCC1C(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495626	1	53	0.0	-70.85	419.41	1.04	-69.81
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495776	0	53	0.0	-71.43	413.75	0.66	-70.77
C[N@H+]1CCC[C@@H]1C(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495776	1	53	0.0	-70.37	419.16	1.02	-69.35
C[C@@H](C(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025495827	0	52	0.0	-70.21	408.94	0.48	-69.73
CC1C[NH+](CC(=O)N2CCOCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025495848	1	53	0.0	-72.64	425.65	1.25	-71.39
CC[N@H+](C)CC(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495865	0	52	0.0	-72.12	412.05	0.83	-71.29
CC[N@@H+](C)CC(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495865	1	52	0.0	-72.07	412.01	0.82	-71.25
C[NH+](C)C1(C(=O)N2CCOCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025495891	0	53	0.0	-73.25	414.50	0.72	-72.53
C[C@H](C(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025495895	0	52	0.0	-70.23	409.14	0.50	-69.73
CC[N@@H+]1CCC1C(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495897	1	53	0.0	-70.41	418.74	0.84	-69.57
CC[N@H+]1CCC1C(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495897	1	53	0.0	-70.25	417.74	0.79	-69.46
[N-]=[N+]=NCC(=O)N1CCOCC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025495942	0	43	0.0	-25.23	371.32	-4.26	-29.49
C[N@@H+]1CCC[C@H]1C(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495953	0	53	0.0	-69.75	418.45	1.00	-68.75
C[N@H+]1CCC[C@H]1C(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025495953	1	53	0.0	-72.01	413.30	0.68	-71.33
C[N@H+](CC(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025495984	0	53	0.0	-69.47	423.70	1.59	-67.88
C[N@@H+](CC(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025495984	1	53	0.0	-70.15	423.77	1.58	-68.57
C[NH+]1CC(CC(=O)N2CCOCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025496006	0	53	0.0	-74.46	425.66	1.04	-73.42
C[NH+](C)CC(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025496009	0	49	0.0	-72.89	394.35	0.16	-72.73
C[C@@H](C(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025496012	0	52	0.0	-70.21	408.94	0.48	-69.73
CC1CC[N@@H+]1CC(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025496019	1	53	0.0	-71.12	425.62	1.21	-69.91
CC1CC[N@H+]1CC(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025496019	1	53	0.0	-71.09	425.68	1.22	-69.87
C[NH+](C)CC=CC(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025496020	0	53	0.0	-73.95	429.45	1.40	-72.55
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN(C(=O)C[NH+]2CCC2)C1	REAL300025496026	1	50	0.0	-72.68	404.66	0.62	-72.06
CC(C(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025496043	1	53	0.0	-69.92	417.74	0.94	-68.98
C[N@@H+]1CCC[C@H]1C(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025496097	0	53	0.0	-68.77	420.14	1.28	-67.49
C[N@H+]1CCC[C@H]1C(=O)NCC1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025496097	1	53	0.0	-71.86	414.36	0.79	-71.07
C[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025496268	0	53	0.0	-72.46	403.27	1.22	-71.24
C[N@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025496268	1	53	0.0	-72.86	403.20	1.36	-71.50
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025496361	0	53	0.0	-66.13	403.14	1.01	-65.12
C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025496361	1	53	0.0	-60.63	411.05	1.49	-59.14
C[NH+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025496436	0	49	0.0	-74.33	384.47	0.74	-73.59
CC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1)[NH+]1CCC1	REAL300025496440	1	53	0.0	-64.59	409.74	1.46	-63.13
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1)C1CC1	REAL300025496445	0	53	0.0	-66.76	411.14	2.16	-64.60
C[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1)C1CC1	REAL300025496445	1	53	0.0	-66.45	411.32	2.16	-64.29
C[NH+]1CC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C(CO)C2)C1	REAL300025496450	0	53	0.0	-72.83	413.22	1.60	-71.23
C[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1)[NH+](C)C	REAL300025496457	0	52	0.0	-65.53	400.03	0.96	-64.57
[N-]=[N+]=NCC(=O)N1CCCN(C(=O)CSC2=NC(=O)NN2)C(CO)C1	REAL300025496460	0	43	0.0	-24.04	358.33	-2.90	-26.94
C[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1)[NH+](C)C	REAL300025496477	0	52	0.0	-65.53	400.03	0.96	-64.57
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCC2)CC1CO	REAL300025496489	1	50	0.0	-74.10	394.68	1.23	-72.87
C[C@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1)[NH+](C)C	REAL300025496497	0	52	0.0	-71.74	400.70	1.06	-70.68
CC1C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C(CO)C2)C1	REAL300025496503	1	53	0.0	-73.72	415.77	1.81	-71.91
CC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025496518	0	52	0.0	-73.51	402.25	1.42	-72.09
CC[N@@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025496518	1	52	0.0	-73.44	402.17	1.40	-72.04
C[NH+](C)CC=CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025496533	0	53	0.0	-77.54	417.70	2.79	-74.75
CC[N@@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025496537	1	53	0.0	-71.00	408.08	1.47	-69.53
CC[N@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025496537	1	53	0.0	-70.31	408.89	1.38	-68.93
C[NH+](C)C1(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C(CO)C2)CC1	REAL300025496566	0	53	0.0	-76.74	403.98	1.02	-75.72
CC1CC[N@@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025496589	1	53	0.0	-69.00	413.16	1.84	-67.16
CC1CC[N@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025496589	1	53	0.0	-67.26	413.21	1.81	-65.45
C[N@@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025496689	0	53	0.0	-61.46	402.20	2.05	-59.41
C[N@H+]1CCCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025496689	1	53	0.0	-61.24	404.19	1.54	-59.70
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025496817	0	53	0.0	-72.71	400.73	1.35	-71.36
C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025496817	1	53	0.0	-64.00	400.44	2.08	-61.92
C[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO)[NH+](C)C	REAL300025496859	0	52	0.0	-71.40	396.89	1.20	-70.20
CC1C[NH+](CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2CO)C1	REAL300025496880	1	53	0.0	-66.91	409.66	2.38	-64.53
CC[N@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025496895	0	52	0.0	-64.77	400.30	1.02	-63.75
CC[N@@H+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025496895	1	52	0.0	-68.06	396.44	1.87	-66.19
C[C@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO)[NH+](C)C	REAL300025496918	0	52	0.0	-62.60	392.84	1.52	-61.08
CC[N@@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025496920	1	53	0.0	-70.37	406.69	1.23	-69.14
CC[N@H+]1CCC1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025496920	1	53	0.0	-69.94	404.22	1.98	-67.96
[N-]=[N+]=NCC(=O)N1CCCN(C(=O)CSC2=NC(=O)NN2)CC1CO	REAL300025496959	0	43	0.0	-24.32	359.55	-3.98	-28.30
C[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025496967	0	53	0.0	-67.57	395.64	1.91	-65.66
C[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025496967	1	53	0.0	-71.00	399.03	1.88	-69.12
C[N@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO)C1CC1	REAL300025496993	0	53	0.0	-69.89	413.74	2.11	-67.78
C[N@@H+](CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO)C1CC1	REAL300025496993	1	53	0.0	-62.37	411.79	1.75	-60.62
C[NH+]1CC(CC(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2CO)C1	REAL300025497012	0	53	0.0	-65.26	413.91	1.27	-63.99
C[NH+](C)CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025497015	0	49	0.0	-68.98	378.73	1.20	-67.78
C[C@@H](C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO)[NH+](C)C	REAL300025497018	0	52	0.0	-71.40	396.89	1.20	-70.20
CC1CC[N@@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025497023	1	53	0.0	-64.42	409.69	2.36	-62.06
CC1CC[N@H+]1CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025497023	1	53	0.0	-68.67	409.93	2.37	-66.30
C[NH+](C)CC=CC(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO	REAL300025497024	0	53	0.0	-71.42	418.32	2.02	-69.40
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C[NH+]2CCC2)C(CO)C1	REAL300025497030	1	50	0.0	-73.13	394.84	1.23	-71.90
CC(C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CO)[NH+]1CCC1	REAL300025497043	1	53	0.0	-64.88	404.02	2.13	-62.75
C[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025497090	0	53	0.0	-67.81	408.42	1.56	-66.25
C[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1	REAL300025497090	1	53	0.0	-73.54	403.84	1.05	-72.49
C[NH+](C)CC(=O)NCC1(C)CC(F)(F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025497144	0	48	0.0	-69.35	397.59	2.14	-67.21
CC1(CNC(=O)CN=[N+]=[N-])CC(F)(F)CN1C(=O)CSC1=NC(=O)NN1	REAL300025497149	0	42	0.0	-25.43	374.56	-2.25	-27.68
CC1(CNC(=O)CSC2=NC(=O)NN2)CC(F)(F)CN1C(=O)CN=[N+]=[N-]	REAL300025497214	0	42	0.0	-24.86	374.56	-2.31	-27.17
C[NH+](C)CC(=O)N1CC(F)(F)CC1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025497223	0	48	0.0	-70.69	397.50	2.09	-68.60
C[N@@H+]1CCCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497392	0	47	0.0	-59.71	379.78	1.39	-58.32
C[N@H+]1CCCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497392	1	47	0.0	-70.02	379.69	1.38	-68.64
C[N@@H+]1CCOC(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025497416	1	48	0.0	-66.46	397.20	1.28	-65.18
C[N@H+]1CCOC(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025497416	1	48	0.0	-82.45	397.06	1.28	-81.17
CC(C)[N@@H+]1CCCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497564	0	53	0.0	-70.39	405.56	2.78	-67.61
CC(C)[N@H+]1CCCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497564	1	53	0.0	-56.75	418.62	2.96	-53.79
CC1=[NH+]C=CN1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497589	1	45	0.0	-69.16	388.12	2.43	-66.73
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C2C[NH+]3CCC2CC3)C1	REAL300025497610	0	51	0.0	-62.84	401.03	2.63	-60.21
C[C@@H]1[C@H](C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025497640	0	50	0.0	-63.29	396.36	1.80	-61.49
C[C@@H]1[C@H](C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025497640	1	50	0.0	-62.24	402.66	2.08	-60.16
CC[C@@H]1[C@@H](C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025497642	0	53	0.0	-62.60	416.74	2.49	-60.11
CC[C@@H]1[C@@H](C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025497642	1	53	0.0	-62.07	421.77	2.89	-59.18
CC[N@@H+]1CCOC(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025497647	1	51	0.0	-60.98	407.87	1.76	-59.22
CC[N@H+]1CCOC(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025497647	1	51	0.0	-76.64	407.77	1.76	-74.88
CC1CCC(C)[NH+]1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497697	0	53	0.0	-67.94	416.51	2.72	-65.22
O=C(CCC[NH+]1CCCC1)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497700	0	53	0.0	-73.29	427.93	3.26	-70.03
O=C(CC[NH+]1CCCCC1)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497703	0	53	0.0	-73.19	423.72	3.26	-69.93
CC[N@@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497706	0	53	0.0	-56.72	419.59	3.05	-53.67
CC[N@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497706	1	53	0.0	-57.60	410.17	2.90	-54.70
C[NH+](C)C1(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025497716	0	50	0.0	-58.52	393.60	2.03	-56.49
CC(C)[C@@H](C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025497722	0	52	0.0	-68.54	407.51	2.53	-66.01
C[N@H+](CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025497743	0	50	0.0	-69.90	405.93	2.82	-67.08
C[N@@H+](CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025497743	1	50	0.0	-69.88	405.83	2.82	-67.06
C#CC[N@H+]1CCC[C@H]1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497801	1	49	0.0	-68.77	406.38	2.64	-66.13
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497801	1	49	0.0	-58.47	411.21	3.10	-55.37
C[N@@H+]1CCCC1CCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497806	0	53	0.0	-63.38	421.57	2.85	-60.53
C[N@H+]1CCCC1CCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497806	1	53	0.0	-63.21	421.74	2.83	-60.38
C[NH+]1CCC(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025497822	0	50	0.0	-77.42	404.30	2.49	-74.93
C[N@@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497853	0	50	0.0	-67.67	401.67	2.45	-65.22
C[N@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497853	1	50	0.0	-69.10	392.37	2.27	-66.83
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300025497906	0	45	0.0	-73.29	389.87	4.35	-68.94
O=C(CC[NH+]1CCOCC1)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497912	1	51	0.0	-76.47	414.94	0.83	-75.64
CC1=C[NH+]=CN1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025497925	1	45	0.0	-70.98	388.42	3.15	-67.83
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C23CCC[NH+]2CCC3)C1	REAL300025497941	0	51	0.0	-56.03	404.39	2.82	-53.21
C[N@@H+]1CCC(CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025497948	0	50	0.0	-75.10	406.22	2.44	-72.66
C[N@H+]1CCC(CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025497948	1	50	0.0	-75.82	406.16	2.44	-73.38
CCC(C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025497955	0	49	0.0	-71.19	393.43	2.02	-69.17
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300025497979	1	45	0.0	-78.16	390.15	4.34	-73.82
C[NH+](C)CCCCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498004	0	52	0.0	-75.41	425.08	2.98	-72.43
CC(C)C(C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025498016	0	52	0.0	-68.73	407.82	2.95	-65.78
CCC[N@H+](C)CCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498017	0	52	0.0	-63.21	421.37	2.77	-60.44
CCC[N@@H+](C)CCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498017	1	52	0.0	-74.65	421.31	2.78	-71.87
CCC[N@H+](C)CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498020	0	49	0.0	-72.06	398.94	2.25	-69.81
CCC[N@@H+](C)CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498020	1	49	0.0	-71.97	398.94	2.26	-69.71
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025498033	0	51	0.0	-62.58	401.05	2.17	-60.41
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025498033	1	51	0.0	-79.52	400.57	2.17	-77.35
C[N@@H+]1CCC[C@@H]1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498057	0	47	0.0	-72.08	379.75	1.39	-70.69
C[N@H+]1CCC[C@@H]1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498057	1	47	0.0	-68.95	384.80	1.90	-67.05
CC[NH+](CC)CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498086	0	49	0.0	-70.18	391.30	1.91	-68.27
CC1CC[NH+](CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025498140	0	53	0.0	-72.45	422.30	3.33	-69.12
C[NH+](C)CC1(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025498160	0	50	0.0	-60.93	411.68	2.53	-58.40
C[NH+]1CCC(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025498208	0	50	0.0	-77.42	404.30	2.49	-74.93
CC(C)[C@H](C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025498223	0	52	0.0	-70.64	408.29	3.05	-67.59
CCC(C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025498251	0	55	0.0	-65.70	422.35	2.93	-62.77
CC[N@H+](C)CCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498282	0	49	0.0	-73.85	399.81	2.04	-71.81
CC[N@@H+](C)CCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498282	1	49	0.0	-73.88	399.81	2.05	-71.83
CC1CCC[N@@H+]1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498306	0	50	0.0	-57.71	398.47	2.21	-55.50
CC1CCC[N@H+]1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498306	1	50	0.0	-68.43	398.45	2.21	-66.22
CC1CC[N@H+](CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498307	0	50	0.0	-59.69	406.05	2.49	-57.20
CC1CC[N@@H+](CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498307	1	50	0.0	-71.04	405.05	2.52	-68.52
CC1(C)CC[N@H+](CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498310	0	53	0.0	-71.15	424.67	3.10	-68.05
CC1(C)CC[N@@H+](CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498310	1	53	0.0	-71.09	424.59	3.09	-68.00
C[N@H+](CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025498311	0	55	0.0	-71.85	429.85	3.41	-68.44
C[N@@H+](CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025498311	1	55	0.0	-71.63	429.49	3.39	-68.24
CC[C@@H](C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025498318	0	49	0.0	-69.35	393.96	2.42	-66.93
C[NH+](C)CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498403	0	43	0.0	-72.38	359.71	0.84	-71.54
O=C(C[NH+]1CCCCCC1)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498406	0	53	0.0	-71.47	410.68	2.88	-68.59
CN1C=C[N+](CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025498409	0	45	0.0	-70.10	390.94	4.35	-65.75
C[N@@H+]1CCCC(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498413	0	50	0.0	-66.47	398.03	2.68	-63.79
C[N@H+]1CCCC(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498413	1	50	0.0	-65.11	398.00	2.68	-62.43
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025498418	0	51	0.0	-72.54	405.21	3.43	-69.11
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025498418	1	51	0.0	-66.86	412.12	3.23	-63.63
CC(C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025498430	1	47	0.0	-69.50	387.47	1.87	-67.63
CCC(CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025498434	0	55	0.0	-77.49	434.55	3.45	-74.04
C[NH+](C)CC(C)(C)C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498439	0	52	0.0	-62.67	409.62	2.55	-60.12
O=C(C[NH+]1CCC(O)CC1)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498450	1	51	0.0	-75.56	412.52	-0.64	-76.20
C[N@H+](CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025498451	0	47	0.0	-69.05	388.98	2.25	-66.80
C[N@@H+](CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025498451	1	47	0.0	-69.39	389.12	2.25	-67.14
C[NH+]1CC(CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498465	0	47	0.0	-73.01	391.02	1.66	-71.35
CC(C)(C)[N@@H+]1CCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498475	0	53	0.0	-57.47	403.41	2.25	-55.22
CC(C)(C)[N@H+]1CCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498475	1	53	0.0	-57.43	405.56	1.97	-55.46
C[C@@H](C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025498486	0	46	0.0	-59.70	377.93	1.23	-58.47
[N-]=[N+]=NCC(=O)NC1C=CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025498493	0	37	0.0	-21.85	336.75	-3.58	-25.43
[NH2+]=C1SC=CN1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498538	0	43	0.0	-68.65	386.79	1.02	-67.63
C[N@H+](CCO)CCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498543	0	50	0.0	-73.86	410.16	-1.17	-75.03
C[N@@H+](CCO)CCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498543	1	50	0.0	-62.70	410.21	-1.21	-63.91
C[C@@H](C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025498544	0	46	0.0	-59.70	377.93	1.23	-58.47
C[N@@H+]1CCCC[C@@H]1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498547	0	50	0.0	-59.44	392.49	2.26	-57.18
C[N@H+]1CCCC[C@@H]1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498547	1	50	0.0	-58.33	401.72	2.42	-55.91
O=C(C[NH+]1CCC1)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498592	1	44	0.0	-60.97	370.12	1.30	-59.67
C[N@@H+]1CCC(=CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498608	0	48	0.0	-67.26	398.68	2.36	-64.90
C[N@H+]1CCC(=CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498608	1	48	0.0	-67.24	398.67	2.36	-64.88
C[NH+](C)CCOCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498628	0	50	0.0	-73.01	415.59	1.89	-71.12
C=CCC(C)(C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025498640	0	53	0.0	-71.75	411.41	2.65	-69.10
C[N@@H+]1CC(O)CC1(C)C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498658	0	51	0.0	-78.03	406.12	-0.98	-79.01
CC1CN(CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498675	0	47	0.0	-72.10	390.68	1.92	-70.18
CC1C[NH+](CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498675	1	47	0.0	-72.10	390.68	1.92	-70.18
CN(CCO)CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498693	0	47	0.0	-72.33	387.80	-1.73	-74.06
C[N@H+](CCO)CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498693	1	47	0.0	-72.58	387.55	-1.72	-74.30
C[N@@H+](CCO)CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498693	1	47	0.0	-72.58	387.55	-1.72	-74.30
CC[N@@H+]1CCCC(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498712	0	53	0.0	-57.97	415.80	3.32	-54.65
CC[N@H+]1CCCC(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498712	1	53	0.0	-57.97	415.80	3.32	-54.65
CC(CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025498714	0	52	0.0	-74.25	416.90	2.84	-71.41
CC[N@H+](C)CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498718	0	46	0.0	-71.62	377.44	1.52	-70.10
CC[N@H+](CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025498745	0	50	0.0	-69.32	406.08	2.80	-66.52
CC[NH+](CC)CCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498754	0	52	0.0	-72.89	417.66	2.76	-70.13
CC1(C)CN(CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498770	0	50	0.0	-72.29	410.32	2.46	-69.83
CC1(C)C[NH+](CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498770	1	50	0.0	-72.29	410.32	2.46	-69.83
CC1(O)CC[N@H+](CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025498787	0	51	0.0	-60.67	415.75	-0.76	-61.43
C[NH+](C)CC=CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498790	0	47	0.0	-76.52	396.90	2.08	-74.44
CC(OCC[NH+](C)C)C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498798	0	53	0.0	-63.06	435.44	2.55	-60.51
C[NH+](C)CCOCCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498804	0	53	0.0	-72.85	436.53	1.64	-71.21
COCCN(C)CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498805	0	50	0.0	-72.46	409.80	0.69	-71.77
COCC[N@H+](C)CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498805	1	50	0.0	-72.54	410.04	0.68	-71.86
COCC[N@@H+](C)CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498805	1	50	0.0	-72.54	410.04	0.68	-71.86
C[NH+](C)C1(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025498824	0	53	0.0	-59.57	407.98	3.14	-56.43
CC(CCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025498826	0	52	0.0	-72.40	417.00	2.56	-69.84
CCN1CCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498832	0	47	0.0	-58.92	384.57	1.56	-57.36
CC[N@@H+]1CCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498832	1	47	0.0	-70.96	391.31	1.84	-69.12
CC[N@H+]1CCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498832	1	47	0.0	-70.96	391.31	1.84	-69.12
O=C(C[N@H+]1CCCC1CO)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498843	0	51	0.0	-70.97	409.37	-1.09	-72.06
C[NH+]1CCC(C)(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025498863	0	53	0.0	-72.86	416.94	2.93	-69.93
C=CCC(C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025498880	0	50	0.0	-67.60	403.61	2.31	-65.29
C[N@@H+]1CC(C)(C)CC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498887	0	53	0.0	-69.23	425.42	3.05	-66.18
C[N@H+]1CC(C)(C)CC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498887	1	53	0.0	-69.23	425.42	3.05	-66.18
C[NH+](C)CCCCCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498889	0	55	0.0	-74.83	446.57	3.76	-71.07
CCCC(C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025498907	0	52	0.0	-71.97	414.93	2.78	-69.19
C[NH+](C)C(C)(C)C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498910	0	49	0.0	-58.06	387.25	1.98	-56.08
C[N@@H+]1CCCCC1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498934	0	50	0.0	-69.10	392.37	2.27	-66.83
C[N@H+]1CC=C(CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025498955	0	51	0.0	-69.54	418.84	3.16	-66.38
C[N@@H+]1CC=C(CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025498955	1	51	0.0	-69.54	418.84	3.16	-66.38
O=C(C=CC[NH+]1CCCC1)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498987	0	51	0.0	-75.22	421.00	3.20	-72.02
O=C(CC[NH+]1CCCC1)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499016	0	50	0.0	-73.97	406.44	2.45	-71.52
C[N@@H+]1CC2CC1(C(=O)NC1C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025499042	0	48	0.0	-57.69	390.78	1.96	-55.73
O=C(C[N@@H+]1CC2CCC1C2)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499047	0	51	0.0	-69.76	406.73	2.94	-66.82
O=C(C[N@H+]1CC2CCC1C2)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499047	1	51	0.0	-69.76	406.73	2.94	-66.82
O=C(CN1CC2C=CC1C2)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499085	0	49	0.0	-58.36	398.64	2.70	-55.66
O=C(C[N@@H+]1CC2C=CC1C2)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499085	1	49	0.0	-58.06	398.86	2.68	-55.38
O=C(C[N@H+]1CC2C=CC1C2)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499085	1	49	0.0	-58.06	398.86	2.68	-55.38
CC(C[NH+](C)C)C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499116	0	49	0.0	-73.35	398.11	2.10	-71.25
C[N@@H+]1CCCCC1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499157	0	53	0.0	-64.13	411.47	2.91	-61.22
C[N@H+]1CCCCC1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499157	1	53	0.0	-62.71	419.08	3.02	-59.69
CC(C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025499166	0	50	0.0	-69.56	407.68	2.57	-66.99
CC1CC[N@@H+]1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499168	1	47	0.0	-59.03	385.66	1.66	-57.37
CC1CC[N@H+]1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499168	1	47	0.0	-59.57	391.18	1.91	-57.66
C[NH+](C)CC(O)CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499170	0	50	0.0	-77.56	412.32	-0.14	-77.70
CC1C[N@H+](C)CC(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025499189	1	51	0.0	-85.36	411.11	1.60	-83.76
CC1C[N@@H+](C)CC(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025499189	1	51	0.0	-83.56	410.99	1.58	-81.98
C[NH+](C)[C@H]1C[C@H](C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025499228	0	50	0.0	-72.11	409.25	2.57	-69.54
CC(CC[NH+](C)C)C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499232	0	52	0.0	-73.67	419.75	2.72	-70.95
C[NH+]1CCN(CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025499248	1	52	0.0	-65.00	418.86	0.34	-64.66
C[N@@H+]1CCCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499418	0	47	0.0	-68.76	381.81	1.51	-67.25
C[N@H+]1CCCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499418	1	47	0.0	-69.99	382.20	1.61	-68.38
C[N@@H+]1CCOC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025499444	1	48	0.0	-89.50	392.40	1.00	-88.50
C[N@H+]1CCOC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025499444	1	48	0.0	-84.19	393.58	1.06	-83.13
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)CC[NH+]2CCOCC2)C1	REAL300025499593	1	51	0.0	-77.16	415.05	0.79	-76.37
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300025499602	0	51	0.0	-70.59	397.75	2.10	-68.49
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300025499605	1	45	0.0	-76.87	394.83	4.13	-72.74
C[N@@H+]1CCC(CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025499628	0	50	0.0	-77.98	406.00	2.40	-75.58
C[N@H+]1CCC(CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025499628	1	50	0.0	-77.45	406.37	2.41	-75.04
CCC(C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025499635	0	49	0.0	-68.42	386.68	1.63	-66.79
C[NH+](C)CCCCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499668	0	52	0.0	-73.76	425.14	2.92	-70.84
CC(C)C(C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025499682	0	52	0.0	-68.37	401.51	2.16	-66.21
CCC[N@H+](C)CCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499683	0	52	0.0	-78.51	421.31	2.77	-75.74
CCC[N@@H+](C)CCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499683	1	52	0.0	-75.31	421.37	2.75	-72.56
CCC[N@H+](C)CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499686	0	49	0.0	-73.69	399.02	2.14	-71.55
CCC[N@@H+](C)CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499686	1	49	0.0	-75.84	398.93	2.19	-73.65
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300025499699	0	51	0.0	-86.16	391.72	1.55	-84.61
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300025499699	1	51	0.0	-72.32	393.24	1.61	-70.71
CC1CC[NH+](CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025499727	0	53	0.0	-74.36	422.35	3.21	-71.15
C[NH+](C)CC1(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025499765	0	50	0.0	-76.11	406.87	2.27	-73.84
CC[N@H+](C)CCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499783	0	49	0.0	-74.39	399.87	2.01	-72.38
CC[N@@H+](C)CCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499783	1	49	0.0	-74.52	399.88	2.00	-72.52
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C2C[NH+]3CCC2CC3)C1	REAL300025499795	0	51	0.0	-81.39	397.52	2.26	-79.13
C[NH+]1CCC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025499836	0	50	0.0	-78.05	399.81	2.11	-75.94
CC(C)[C@H](C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025499851	0	52	0.0	-73.32	400.12	2.12	-71.20
C[NH+](C)C1(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025499915	0	50	0.0	-70.65	389.05	1.69	-68.96
CCC(C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](CC)CC	REAL300025499943	0	55	0.0	-66.41	421.77	2.93	-63.48
CC1CCC[N@@H+]1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499952	0	50	0.0	-72.60	405.71	2.41	-70.19
CC1CCC[N@H+]1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499952	1	50	0.0	-70.57	404.92	2.50	-68.07
CC(C)[N@@H+]1CCCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499988	0	53	0.0	-73.44	409.86	3.10	-70.34
CC(C)[N@H+]1CCCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025499988	1	53	0.0	-69.53	400.81	3.35	-66.18
CC(C)[C@@H](C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025499995	0	52	0.0	-69.86	402.46	2.45	-67.41
CC1CC[N@H+](CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025500008	0	50	0.0	-72.47	405.11	2.41	-70.06
CC1CC[N@@H+](CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025500008	1	50	0.0	-73.16	405.83	2.45	-70.71
CC1(C)CC[N@H+](CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025500011	0	53	0.0	-73.28	425.41	3.01	-70.27
CC1(C)CC[N@@H+](CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025500011	1	53	0.0	-73.09	424.91	3.01	-70.08
C[N@H+](CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025500012	0	55	0.0	-73.90	427.62	3.12	-70.78
C[N@@H+](CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300025500012	1	55	0.0	-75.51	429.48	3.31	-72.20
CC[C@@H](C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025500019	0	49	0.0	-68.47	386.65	1.64	-66.83
CC1=[NH+]C=CN1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500108	1	45	0.0	-72.38	389.11	2.35	-70.03
CC[N@@H+]1CCOC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025500156	1	51	0.0	-87.43	410.20	1.63	-85.80
CC[N@H+]1CCOC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025500156	1	51	0.0	-81.15	411.13	1.66	-79.49
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300025500179	0	45	0.0	-76.41	394.55	4.10	-72.31
CC1=C[NH+]=CN1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500182	1	45	0.0	-73.71	389.46	3.09	-70.62
C[C@@H]1[C@H](C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025500187	0	50	0.0	-76.17	395.82	2.07	-74.10
C[C@@H]1[C@H](C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025500187	1	50	0.0	-77.30	401.05	1.97	-75.33
CC[C@@H]1[C@@H](C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025500189	0	53	0.0	-73.64	414.11	2.31	-71.33
CC[C@@H]1[C@@H](C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025500189	1	53	0.0	-73.53	416.71	2.76	-70.77
CC1CCC(C)[NH+]1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500195	0	53	0.0	-69.29	416.66	2.58	-66.71
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)CCC[NH+]2CCCC2)C1	REAL300025500198	0	53	0.0	-72.28	428.02	3.20	-69.08
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)CC[NH+]2CCCCC2)C1	REAL300025500202	0	53	0.0	-73.90	423.83	3.21	-70.69
CC[N@@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500205	0	53	0.0	-72.44	409.92	2.67	-69.77
CC[N@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500205	1	53	0.0	-69.31	417.13	2.89	-66.42
C[N@H+](CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025500289	0	50	0.0	-73.71	405.92	2.75	-70.96
C[N@@H+](CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025500289	1	50	0.0	-73.60	405.82	2.73	-70.87
C[NH+]1CCC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025500314	0	50	0.0	-78.05	399.81	2.11	-75.94
C[N@@H+]1CCC[C@@H]1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500339	0	47	0.0	-72.62	378.23	1.30	-71.32
C[N@H+]1CCC[C@@H]1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500339	1	47	0.0	-70.61	385.12	1.63	-68.98
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500356	1	49	0.0	-71.55	404.89	2.51	-69.04
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500356	1	49	0.0	-72.91	408.37	2.85	-70.06
C[N@@H+]1CCCC1CCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500361	0	53	0.0	-75.53	421.41	2.80	-72.73
C[N@H+]1CCCC1CCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500361	1	53	0.0	-74.73	421.64	2.82	-71.91
C[N@@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500426	0	50	0.0	-67.66	400.29	2.34	-65.32
C[N@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500426	1	50	0.0	-70.09	400.01	2.28	-67.81
CC1C(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025500478	0	50	0.0	-75.83	401.96	2.08	-73.75
CC1C(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025500478	1	50	0.0	-73.41	401.70	2.11	-71.30
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500530	0	53	0.0	-71.88	400.31	1.90	-69.98
CC(C)(C)[N@H+]1CCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500530	1	53	0.0	-73.32	401.54	1.63	-71.69
C[C@@H](C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025500544	0	46	0.0	-72.66	376.25	1.13	-71.53
C=CCC(C)(C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025500557	0	53	0.0	-65.47	405.10	2.20	-63.27
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)CC[NH+]2CCCC2)C1	REAL300025500571	0	50	0.0	-73.87	408.15	2.51	-71.36
C[N@H+](CCO)CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500580	1	47	0.0	-76.09	387.78	-1.80	-77.89
C[N@@H+](CCO)CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500580	1	47	0.0	-73.92	387.62	-1.82	-75.74
C[N@H+]1CC=C(CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025500629	0	51	0.0	-73.75	418.82	3.12	-70.63
C[N@@H+]1CC=C(CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025500629	1	51	0.0	-71.95	418.83	3.12	-68.83
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500647	0	51	0.0	-78.79	397.15	-1.77	-80.56
C[N@H+]1CC(O)CC1(C)C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500647	1	51	0.0	-70.75	400.26	-1.86	-72.61
CC1C[NH+](CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025500673	1	47	0.0	-74.00	389.88	1.89	-72.11
CC[N@@H+]1CCCC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025500679	0	53	0.0	-69.32	411.33	2.95	-66.37
CC[N@H+]1CCCC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025500679	1	53	0.0	-74.47	417.44	2.77	-71.70
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300025500690	0	51	0.0	-69.49	402.39	2.88	-66.61
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300025500690	1	51	0.0	-67.56	408.95	2.93	-64.63
O=C(C=CC[NH+]1CCCC1)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500711	0	51	0.0	-74.23	419.24	3.03	-71.20
CC[N@H+](C)CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500752	0	46	0.0	-75.55	377.43	1.44	-74.11
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)CN2CC3C=CC2C3)C1	REAL300025500783	0	49	0.0	-70.14	398.88	2.62	-67.52
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C[N@@H+]2CC3C=CC2C3)C1	REAL300025500783	1	49	0.0	-71.27	398.93	2.64	-68.63
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C[N@H+]2CC3C=CC2C3)C1	REAL300025500783	1	49	0.0	-71.27	398.93	2.64	-68.63
CC(OCC[NH+](C)C)C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500857	0	53	0.0	-71.70	430.22	2.27	-69.43
C[NH+](C)CCOCCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500864	0	53	0.0	-70.78	436.60	1.57	-69.21
COCCN(C)CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500866	0	50	0.0	-73.98	409.87	0.58	-73.40
COCC[N@H+](C)CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500866	1	50	0.0	-73.72	410.12	0.57	-73.15
COCC[N@@H+](C)CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500866	1	50	0.0	-73.72	410.12	0.57	-73.15
CC(CCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025500869	0	52	0.0	-71.95	417.14	2.53	-69.42
CC[N@H+](CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025500883	0	50	0.0	-71.87	401.15	2.64	-69.23
C[N@@H+]1CC2CC1(C(=O)N1CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025500908	0	48	0.0	-74.70	386.69	1.65	-73.05
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C[N@@H+]2CC3CCC2C3)C1	REAL300025500915	0	51	0.0	-70.05	404.24	2.68	-67.37
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C[N@H+]2CC3CCC2C3)C1	REAL300025500915	1	51	0.0	-70.05	404.24	2.68	-67.37
CC(C[NH+](C)C)C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500929	0	49	0.0	-74.90	396.01	1.82	-73.08
CCN1CCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500959	0	47	0.0	-70.90	383.04	1.36	-69.54
CC[N@@H+]1CCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500959	1	47	0.0	-75.26	390.11	1.66	-73.60
CC[N@H+]1CCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500959	1	47	0.0	-75.26	390.11	1.66	-73.60
CCC(C)(C)[NH2+]C(C)C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025500967	0	55	0.0	-70.76	421.84	1.02	-69.74
CCCC(C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025500998	0	52	0.0	-70.54	412.40	2.55	-67.99
C[NH+](C)C(C)(C)C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501002	0	49	0.0	-75.96	380.01	1.63	-74.33
CC(CC[NH+](C)C)C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501015	0	52	0.0	-75.20	420.30	2.51	-72.69
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501065	0	53	0.0	-68.86	417.36	2.43	-66.43
C[N@H+]1CC(C)(C)CC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501065	1	53	0.0	-68.86	417.36	2.43	-66.43
C[NH+](C)CCCCCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501067	0	55	0.0	-72.40	446.64	3.70	-68.70
CN1CCN(CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025501074	0	52	0.0	-69.80	418.83	0.23	-69.57
C[NH+]1CCN(CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025501074	1	52	0.0	-69.80	418.83	0.23	-69.57
CC1CN(C)CC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025501120	0	51	0.0	-82.16	407.88	1.78	-80.38
CC1C[N@H+](C)CC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025501120	1	51	0.0	-90.22	413.61	1.72	-88.50
CC1C[N@@H+](C)CC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300025501120	1	51	0.0	-90.22	413.61	1.72	-88.50
C[N@@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501166	0	50	0.0	-67.66	400.29	2.34	-65.32
C[N@H+]1CCCCC1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501166	1	50	0.0	-70.09	400.01	2.28	-67.81
C[N@@H+]1CCC(=CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025501227	0	48	0.0	-74.60	396.55	2.31	-72.29
C[N@H+]1CCC(=CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025501227	1	48	0.0	-74.61	396.64	2.35	-72.26
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)CNC2=CC=[NH+]C=C2)C1	REAL300025501229	0	46	0.0	-72.17	395.50	0.00	-72.17
[N-]=[N+]=NCC(=O)N1CC=CC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025501253	0	37	0.0	-22.93	336.74	-3.68	-26.61
C[NH+](C)C1(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CCCC1	REAL300025501280	0	53	0.0	-75.50	399.30	2.33	-73.17
CCC1C[NH+](CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025501289	0	50	0.0	-74.56	412.32	2.57	-71.99
C[N@@H+]1CCC[C@H]1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501298	0	47	0.0	-72.05	382.09	1.60	-70.45
C[N@H+]1CCC[C@H]1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501298	1	47	0.0	-71.77	378.15	1.30	-70.47
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025501380	0	50	0.0	-74.47	409.01	2.50	-71.97
C[NH+](C)CCC1(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025501388	0	53	0.0	-69.12	430.88	3.12	-66.00
C[N@@H+]1CC=CCC1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501389	0	51	0.0	-67.51	405.95	2.80	-64.71
C[N@H+]1CC=CCC1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501389	1	51	0.0	-79.25	410.84	2.83	-76.42
C[NH+](C)CCOCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501418	0	50	0.0	-71.98	415.65	1.87	-70.11
[NH2+]=C1SC=CN1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501443	0	43	0.0	-70.39	386.76	0.94	-69.45
C[C@@H](OCC[NH+](C)C)C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501476	0	53	0.0	-71.26	432.33	2.38	-68.88
C[N@@H+]1CCCC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025501502	0	50	0.0	-72.61	399.94	2.10	-70.51
C[N@H+]1CCCC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025501502	1	50	0.0	-72.61	399.94	2.10	-70.51
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C[NH+]2CCCCCC2)C1	REAL300025501503	0	53	0.0	-72.49	410.92	2.78	-69.71
CN1C=C[N+](CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025501506	0	45	0.0	-72.45	390.93	4.27	-68.18
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)CN2CCC(O)CC2)C1	REAL300025501525	0	51	0.0	-78.70	412.97	-0.77	-79.47
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C[NH+]2CCC(O)CC2)C1	REAL300025501525	1	51	0.0	-78.70	412.97	-0.77	-79.47
C[N@H+](CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025501526	0	47	0.0	-70.80	389.18	2.15	-68.65
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)CC[N@H+]2CCC(F)C2)C1	REAL300025501529	0	50	0.0	-82.40	414.35	2.62	-79.78
CC(CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025501548	0	52	0.0	-73.82	416.83	2.79	-71.03
CN1CCOCC1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501567	0	51	0.0	-79.96	410.18	0.59	-79.37
C[N@@H+]1CCOCC1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501567	1	51	0.0	-82.42	410.30	0.60	-81.82
C[N@H+]1CCOCC1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501567	1	51	0.0	-82.42	410.30	0.60	-81.82
CC1(O)CC[N@H+](CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025501630	0	51	0.0	-75.89	416.25	-0.84	-76.73
C[NH+]1CC(CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025501653	0	47	0.0	-72.22	391.10	1.60	-70.62
C[N@H+](CCO)CCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501677	0	50	0.0	-73.24	410.18	-1.22	-74.46
C[N@@H+](CCO)CCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501677	1	50	0.0	-73.24	410.18	-1.22	-74.46
C[N@@H+]1CCCCC1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501692	0	53	0.0	-69.93	411.45	2.85	-67.08
C[N@H+]1CCCCC1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501692	1	53	0.0	-69.93	411.45	2.85	-67.08
CC1CCN1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501704	0	47	0.0	-74.95	391.01	1.81	-73.14
CC1CC[N@@H+]1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501704	1	47	0.0	-71.62	391.11	1.79	-69.83
CC1CC[N@H+]1CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501704	1	47	0.0	-71.62	391.11	1.79	-69.83
C[NH+](C)CC=CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501710	0	47	0.0	-75.21	394.65	1.95	-73.26
CC1(C)CN(CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025501716	0	50	0.0	-73.71	410.36	2.38	-71.33
CC1(C)C[NH+](CC(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025501716	1	50	0.0	-73.71	410.36	2.38	-71.33
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C[N@H+]2CCCC2CO)C1	REAL300025501751	0	51	0.0	-72.94	409.54	-1.16	-74.10
CC[NH+](CC)CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501755	0	49	0.0	-71.41	391.36	1.80	-69.61
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)CN2CCC2)C1	REAL300025501764	0	44	0.0	-73.35	370.16	1.22	-72.13
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C[NH+]2CCC2)C1	REAL300025501764	1	44	0.0	-73.35	370.16	1.22	-72.13
CC[NH+](CC)CCC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501792	0	52	0.0	-74.23	413.39	2.43	-71.80
CC(C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)N1CCC1	REAL300025501844	0	47	0.0	-73.17	380.03	1.38	-71.79
CC(C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025501844	1	47	0.0	-73.17	380.03	1.38	-71.79
CCC(CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025501849	0	55	0.0	-74.15	431.00	3.25	-70.90
C[NH+](C)CC(C)(C)C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501854	0	52	0.0	-71.95	400.74	1.89	-70.06
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501886	0	50	0.0	-72.98	399.26	2.27	-70.71
C[NH+](C)CC(O)CC(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501907	0	50	0.0	-77.00	412.48	-0.23	-77.23
C=CCC(C(=O)N1CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025501928	0	50	0.0	-67.89	400.55	2.11	-65.78
C[NH+]1CCC(C)(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025501940	0	53	0.0	-58.56	391.08	3.09	-55.47
NC(=[NH2+])SCC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501961	0	41	0.0	-74.43	368.24	-2.30	-76.73
C[NH+](C)CCC1(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025501985	0	53	0.0	-75.97	434.76	3.34	-72.63
C[N@@H+]1CC=CCC1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501986	0	51	0.0	-63.25	411.08	2.88	-60.37
C[N@H+]1CC=CCC1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501986	1	51	0.0	-63.25	411.08	2.88	-60.37
C[C@@H](OCC[NH+](C)C)C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025501996	0	53	0.0	-71.33	435.37	2.58	-68.75
CCC1C[NH+](CC(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025502071	1	50	0.0	-73.03	412.11	2.68	-70.35
C[N@H+]1CCC[C@H]1C(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025502076	1	47	0.0	-69.95	379.67	1.38	-68.57
O=C(CC[N@@H+]1CCC(F)C1)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025502082	1	50	0.0	-78.12	413.75	2.59	-75.53
O=C(C[NH+]1CCCCC1)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025502095	0	50	0.0	-71.74	401.83	2.71	-69.03
CC1C(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025502101	0	50	0.0	-61.04	405.76	2.37	-58.67
CC1C(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025502101	1	50	0.0	-63.49	396.45	1.81	-61.68
CN1CCOCC1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025502130	0	51	0.0	-59.80	402.96	0.50	-59.30
C[N@@H+]1CCOCC1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025502130	1	51	0.0	-65.89	410.44	0.65	-65.24
C[N@H+]1CCOCC1CC(=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025502130	1	51	0.0	-59.80	402.96	0.50	-59.30
CCOCC(N=[N+]=[N-])C(=O)NC1C=CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025502138	0	47	0.0	-24.06	411.68	-2.69	-26.75
C[NH+](C)CC(=O)NCC12CCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300025502219	0	55	0.0	-73.41	416.23	3.75	-69.66
[N-]=[N+]=NCC(=O)NCC12CCCC1N(C(=O)CSC1=NC(=O)NN1)CCC2	REAL300025502224	0	49	0.0	-24.63	393.19	-0.65	-25.28
[N-]=[N+]=NCC(=O)N1CCCC2(CNC(=O)CSC3=NC(=O)NN3)CCCC12	REAL300025502284	0	49	0.0	-24.37	393.19	-0.73	-25.10
C[NH+](C)CC(=O)N1CCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300025502290	0	55	0.0	-66.64	416.23	3.67	-62.97
C[NH+](C)CC(=O)NCC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025502399	0	52	0.0	-69.24	407.88	2.68	-66.56
C[C@@H](C(=O)NCC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025502404	0	55	0.0	-68.31	425.88	3.09	-65.22
[N-]=[N+]=NCC(=O)NCC12CCC(CC1)N(C(=O)CSC1=NC(=O)NN1)C2	REAL300025502407	0	46	0.0	-23.58	384.95	-1.74	-25.32
C[C@@H](C(=O)NCC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025502417	0	55	0.0	-68.31	425.88	3.09	-65.22
C[C@H](C(=O)NCC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025502430	0	55	0.0	-66.23	426.16	3.06	-63.17
CC[N@H+](C)CC(=O)NCC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025502442	0	55	0.0	-68.47	425.71	3.34	-65.13
CC[N@@H+](C)CC(=O)NCC12CCC(CC1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025502442	1	55	0.0	-68.61	425.78	3.32	-65.29
C[C@@H](C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2)[NH+](C)C	REAL300025502588	0	55	0.0	-68.52	423.41	2.95	-65.57
CC[N@H+](C)CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025502607	0	55	0.0	-67.46	425.71	3.27	-64.19
CC[N@@H+](C)CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025502607	1	55	0.0	-67.47	425.60	3.31	-64.16
C[C@H](C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2)[NH+](C)C	REAL300025502620	0	55	0.0	-68.64	422.81	2.87	-65.77
[N-]=[N+]=NCC(=O)N1CC2(CNC(=O)CSC3=NC(=O)NN3)CCC1CC2	REAL300025502645	0	46	0.0	-24.61	384.95	-1.78	-26.39
C[NH+](C)CC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300025502676	0	52	0.0	-68.28	407.99	2.61	-65.67
C[C@@H](C(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2)[NH+](C)C	REAL300025502679	0	55	0.0	-68.52	423.41	2.95	-65.57
O=C(CSC1=NNC(=O)[N-]1)NCC12CCC(CC1)N(C(=O)C[NH+]1CCC1)C2	REAL300025502686	1	53	0.0	-70.36	418.06	3.12	-67.24
COC1(CNC(=O)C2CCC[N@@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025502885	0	50	0.0	-70.97	413.25	-0.25	-71.22
COC1(CNC(=O)C2CCC[N@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025502885	1	50	0.0	-70.46	411.76	-0.32	-70.78
COC1(CNC(=O)CN2C=C[NH+]=C2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503036	1	48	0.0	-70.60	417.05	0.35	-70.25
COC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503054	0	53	0.0	-74.54	425.10	-0.02	-74.56
COC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503054	1	53	0.0	-75.48	430.32	-0.06	-75.54
COC1(CNC(=O)C2([NH+](C)C)CCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503071	0	53	0.0	-75.00	422.66	1.15	-73.85
COC1(CNC(=O)C[N@H+](C)C2CCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503081	0	53	0.0	-72.15	433.86	0.73	-71.42
COC1(CNC(=O)C[N@@H+](C)C2CCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503081	1	53	0.0	-71.84	433.72	0.71	-71.13
COC1(CNC(=O)C2CC[NH+](C)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503102	0	53	0.0	-76.10	432.18	0.41	-75.69
COC1(CNC(=O)C2CCCC[N@@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503108	0	53	0.0	-68.41	420.58	0.42	-67.99
COC1(CNC(=O)C2CCCC[N@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503108	1	53	0.0	-67.75	429.99	0.56	-67.19
COC1(CNC(=O)CN2C=[NH+]C=C2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503125	1	48	0.0	-73.25	416.17	1.02	-72.23
COC1(CNC(=O)CC2CC[N@H+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503134	0	53	0.0	-75.49	433.91	0.42	-75.07
COC1(CNC(=O)CC2CC[N@@H+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503134	1	53	0.0	-75.27	434.78	0.31	-74.96
CCC(C(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025503137	0	52	0.0	-71.42	417.84	-0.26	-71.68
CCC[N@H+](C)CC(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503153	0	52	0.0	-73.85	426.85	0.14	-73.71
CCC[N@@H+](C)CC(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503153	1	52	0.0	-73.94	426.85	0.14	-73.80
COC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503167	0	50	0.0	-66.32	413.86	-0.07	-66.39
COC1(CNC(=O)[C@H]2CCC[N@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503167	1	50	0.0	-73.32	407.32	-0.56	-73.88
CC[NH+](CC)CC(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503179	0	52	0.0	-72.24	419.04	-0.17	-72.41
COC1(CNC(=O)C2(C[NH+](C)C)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503231	0	53	0.0	-75.05	439.26	0.67	-74.38
COC1(CNC(=O)C2CC[NH+](C)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503252	0	53	0.0	-76.10	432.18	0.41	-75.69
CC[N@H+](C)CCC(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503289	0	52	0.0	-71.76	429.04	0.15	-71.61
CC[N@@H+](C)CCC(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503289	1	52	0.0	-71.78	429.04	0.15	-71.63
COC1(CNC(=O)C[N@@H+]2CCCC2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503297	0	53	0.0	-65.85	426.25	0.39	-65.46
COC1(CNC(=O)C[N@H+]2CCCC2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503297	1	53	0.0	-70.59	426.21	0.21	-70.38
COC1(CNC(=O)C[N@@H+]2CCC(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503298	0	53	0.0	-73.04	433.64	0.46	-72.58
COC1(CNC(=O)C[N@H+]2CCC(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503298	1	53	0.0	-73.39	433.36	0.47	-72.92
CC[C@@H](C(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025503300	0	52	0.0	-71.42	418.17	-0.21	-71.63
COC1(CNC(=O)C[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503331	0	46	0.0	-74.43	387.46	-1.28	-75.71
COC1(CNC(=O)C[N+]2=CN(C)C=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503332	0	48	0.0	-71.58	418.85	2.24	-69.34
COC1(CNC(=O)C2CCC[N@H+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503335	0	53	0.0	-68.93	424.41	0.55	-68.38
COC1(CNC(=O)C2CCC[N@@H+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503335	1	53	0.0	-70.54	433.52	0.49	-70.05
COC1(CNC(=O)C(C)[NH+]2CCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503342	1	50	0.0	-66.81	417.44	-0.05	-66.86
COC1(CNC(=O)C[N@H+](C)C2CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503350	0	50	0.0	-71.19	416.73	0.12	-71.07
COC1(CNC(=O)C[N@@H+](C)C2CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503350	1	50	0.0	-71.29	416.72	0.13	-71.16
COC1(CNC(=O)CC2C[NH+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503360	0	50	0.0	-74.57	418.88	-0.45	-75.02
COC1(CNC(=O)[C@H](C)[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503371	0	49	0.0	-72.28	405.51	-0.84	-73.12
COC1(CNC(=O)CN=[N+]=[N-])CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025503378	0	40	0.0	-24.02	365.87	-5.47	-29.49
COC1(CNC(=O)[C@H](C)[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503409	0	49	0.0	-72.28	405.51	-0.84	-73.12
COC1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503412	0	53	0.0	-70.66	429.90	0.37	-70.29
COC1(CNC(=O)[C@H]2CCCC[N@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503412	1	53	0.0	-66.49	420.70	0.40	-66.09
COC1(CNC(=O)C=C2CC[N@H+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503444	0	51	0.0	-77.06	425.33	0.30	-76.76
COC1(CNC(=O)C=C2CC[N@@H+](C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503444	1	51	0.0	-77.03	424.93	0.26	-76.77
COC1(CNC(=O)[C@@H](C)[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503461	0	49	0.0	-72.20	405.82	-0.83	-73.03
COC1(CNC(=O)C[NH+]2CC(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503475	1	50	0.0	-70.23	417.62	0.15	-70.08
COC1(CNC(=O)C[N@H+](C)CCO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503488	1	50	0.0	-74.23	415.70	-3.84	-78.07
COC1(CNC(=O)C[N@@H+](C)CCO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503488	1	50	0.0	-73.86	415.70	-3.81	-77.67
CC[N@H+](C)CC(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503500	0	49	0.0	-73.40	405.35	-0.60	-74.00
CC[N@@H+](C)CC(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503500	1	49	0.0	-73.43	405.35	-0.60	-74.03
CC[N@H+](CC(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025503510	0	53	0.0	-70.57	436.05	0.75	-69.82
CC[N@@H+](CC(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025503510	1	53	0.0	-67.52	434.93	0.90	-66.62
COC1(CNC(=O)C=CC[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503529	0	50	0.0	-77.32	423.42	-0.06	-77.38
CC[N@@H+]1CCC1C(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503546	1	50	0.0	-72.05	410.32	-0.38	-72.43
CC[N@H+]1CCC1C(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503546	1	50	0.0	-68.83	418.61	0.00	-68.83
C=CCC(C(=O)NCC1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025503565	0	53	0.0	-72.19	435.18	0.43	-71.76
COC1(CNC(=O)C[NH+]2CC3CC3C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503572	0	51	0.0	-73.64	422.95	0.61	-73.03
COC1(CNC(=O)C(C)(C)[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503577	0	52	0.0	-74.69	414.93	-0.12	-74.81
COC1(CNC(=O)C2CCCC[N@@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503587	0	53	0.0	-68.41	420.58	0.42	-67.99
COC1(CNC(=O)C2CCCC[N@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503587	1	53	0.0	-67.75	429.99	0.56	-67.19
COC1(CNC(=O)C2([NH+](C)C)CC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503619	0	50	0.0	-74.75	411.34	0.47	-74.28
COC1(CNC(=O)CC[NH+]2CCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503620	0	53	0.0	-71.16	437.27	0.67	-70.49
COC1(CNC(=O)C23CC(C2)C[N@@H+]3C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503630	1	51	0.0	-71.55	417.59	0.44	-71.11
COC1(CNC(=O)C23CC(C2)C[N@H+]3C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503630	1	51	0.0	-70.87	419.80	0.15	-70.72
COC1(CNC(=O)C(C)C[NH+](C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503664	0	52	0.0	-70.10	425.30	0.15	-69.95
COC1(CNC(=O)C(C)[NH+]2CC(C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503683	1	53	0.0	-71.18	436.55	0.41	-70.77
COC1(CNC(=O)C[N@@H+]2CCC2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503684	1	50	0.0	-72.37	418.79	-0.10	-72.47
COC1(CNC(=O)C[N@H+]2CCC2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503684	1	50	0.0	-71.77	413.25	-0.46	-72.23
COC1(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503712	0	53	0.0	-72.75	438.48	0.59	-72.16
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC[N@@H+]2C)C1	REAL300025503872	0	50	0.0	-68.68	405.85	-0.67	-69.35
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC[N@H+]2C)C1	REAL300025503872	1	50	0.0	-67.85	410.39	-0.44	-68.29
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC2CC[N@H+](C)C2)C1	REAL300025504039	0	53	0.0	-77.23	433.90	0.30	-76.93
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC2CC[N@@H+](C)C2)C1	REAL300025504039	1	53	0.0	-73.19	434.46	0.38	-72.81
CCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1)[NH+](C)C	REAL300025504042	0	52	0.0	-65.60	418.77	-0.03	-65.63
CCC[N@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1	REAL300025504054	0	52	0.0	-67.91	428.17	0.34	-67.57
CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1	REAL300025504054	1	52	0.0	-68.09	428.17	0.35	-67.74
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2(C[NH+](C)C)CC2)C1	REAL300025504090	0	53	0.0	-75.76	438.78	0.53	-75.23
CC[N@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1	REAL300025504095	0	52	0.0	-72.97	427.72	-0.05	-73.02
CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1	REAL300025504095	1	52	0.0	-69.67	429.03	0.14	-69.53
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025504117	0	53	0.0	-79.44	429.41	0.13	-79.31
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2([NH+](C)C)CCC2)C1	REAL300025504149	0	53	0.0	-75.68	418.06	-0.17	-75.85
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CCCC2C)C1	REAL300025504171	0	53	0.0	-68.18	432.88	0.78	-67.40
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CCCC2C)C1	REAL300025504171	1	53	0.0	-67.96	433.04	0.52	-67.44
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CCC(C)C2)C1	REAL300025504188	0	53	0.0	-69.81	432.94	0.41	-69.40
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CCC(C)C2)C1	REAL300025504188	1	53	0.0	-72.04	432.32	0.35	-71.69
CC[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1)[NH+](C)C	REAL300025504190	0	52	0.0	-63.92	418.81	-0.22	-64.14
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2C=C[NH+]=C2C)C1	REAL300025504225	1	48	0.0	-70.24	416.85	0.30	-69.94
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2C=[NH+]C=C2C)C1	REAL300025504243	1	48	0.0	-68.88	417.64	1.22	-67.66
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	REAL300025504244	0	53	0.0	-75.45	424.56	0.00	-75.45
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	REAL300025504244	1	53	0.0	-73.01	429.69	-0.03	-73.04
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+](C)C2CCC2)C1	REAL300025504271	0	53	0.0	-66.55	435.18	0.93	-65.62
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+](C)C2CCC2)C1	REAL300025504271	1	53	0.0	-70.89	433.55	0.68	-70.21
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[NH+](C)CC2)C1	REAL300025504276	0	53	0.0	-79.44	429.41	0.13	-79.31
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300025504288	0	50	0.0	-70.54	408.74	-0.40	-70.94
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300025504288	1	50	0.0	-69.23	406.94	-0.61	-69.84
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025504328	0	53	0.0	-70.76	417.51	-0.11	-70.87
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025504328	1	53	0.0	-63.03	429.95	0.40	-62.63
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@H+](C)C2C)C1	REAL300025504356	0	53	0.0	-74.63	431.37	0.00	-74.63
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CC[N@@H+](C)C2C)C1	REAL300025504356	1	53	0.0	-73.69	429.21	0.48	-73.21
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025504393	0	49	0.0	-71.44	405.23	-0.91	-72.35
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025504410	0	53	0.0	-69.37	437.27	0.66	-68.71
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+](C)CCO)C1	REAL300025504415	1	50	0.0	-69.23	417.02	-3.64	-72.87
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+](C)CCO)C1	REAL300025504415	1	50	0.0	-73.35	416.09	-3.83	-77.18
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CC(C)C2)C1	REAL300025504453	1	50	0.0	-73.30	418.75	-0.22	-73.52
CC[N@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1	REAL300025504482	0	49	0.0	-67.60	406.67	-0.40	-68.00
CC[N@@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1	REAL300025504482	1	49	0.0	-72.77	405.18	-0.64	-73.41
CC[N@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1)C1CC1	REAL300025504535	0	53	0.0	-66.58	436.54	0.82	-65.76
CC[N@@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1)C1CC1	REAL300025504535	1	53	0.0	-66.37	432.00	0.67	-65.70
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CC(C2)C[N@@H+]3C)C1	REAL300025504547	0	51	0.0	-75.34	415.37	-0.18	-75.52
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C23CC(C2)C[N@H+]3C)C1	REAL300025504547	1	51	0.0	-77.14	416.06	-0.06	-77.20
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(C)C[NH+](C)C)C1	REAL300025504556	0	52	0.0	-72.44	425.28	-0.11	-72.55
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2([NH+](C)C)CC2)C1	REAL300025504562	0	50	0.0	-77.54	409.97	-0.34	-77.88
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300025504571	0	49	0.0	-67.58	406.98	-0.73	-68.31
CC[N@@H+]1CCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1	REAL300025504574	1	50	0.0	-69.57	418.71	-0.24	-69.81
CC[N@H+]1CCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1	REAL300025504574	1	50	0.0	-70.75	411.21	-0.68	-71.43
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C[NH+]=CC=C2N)C1	REAL300025504584	0	46	0.0	-70.14	395.14	-3.09	-73.23
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(C)(C)[NH+](C)C)C1	REAL300025504590	0	52	0.0	-77.03	409.89	-0.24	-77.27
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025504651	0	51	0.0	-68.89	424.23	0.70	-68.19
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCCC[N@@H+]2C)C1	REAL300025504657	0	53	0.0	-70.76	417.51	-0.11	-70.87
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCCC[N@H+]2C)C1	REAL300025504657	1	53	0.0	-63.03	429.95	0.40	-62.63
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C=C2CC[N@H+](C)C2)C1	REAL300025504678	0	51	0.0	-75.07	426.27	0.53	-74.54
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C=C2CC[N@@H+](C)C2)C1	REAL300025504678	1	51	0.0	-75.97	425.36	0.29	-75.68
COC1(CNC(=O)CSC2=NC(=O)NN2)CN(C(=O)CN=[N+]=[N-])C1	REAL300025504685	0	40	0.0	-24.53	365.90	-5.46	-29.99
CCC1C[NH+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)(OC)C2)C1	REAL300025504699	1	53	0.0	-74.25	439.90	0.51	-73.74
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300025504704	0	50	0.0	-71.38	406.86	-0.79	-72.17
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300025504704	1	50	0.0	-70.49	412.58	-0.33	-70.82
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H]2C[C@H]([NH+](C)C)C2)C1	REAL300025504737	0	53	0.0	-74.88	436.94	0.51	-74.37
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCCCC2)C1	REAL300025504775	0	53	0.0	-70.04	429.35	0.58	-69.46
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC[N@H+](C)C2)C1	REAL300025504776	0	53	0.0	-76.85	422.38	0.08	-76.77
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2CCC[N@@H+](C)C2)C1	REAL300025504776	1	53	0.0	-72.18	429.85	0.42	-71.76
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N+]2=CN(C)C=C2)C1	REAL300025504777	0	48	0.0	-70.94	418.69	2.21	-68.73
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+](C)C2CC2)C1	REAL300025504787	0	50	0.0	-65.95	418.36	0.35	-65.60
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300025504787	1	50	0.0	-67.96	416.90	0.14	-67.82
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC2C[NH+](C)C2)C1	REAL300025504836	0	50	0.0	-70.70	420.23	-0.25	-70.95
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+](C)C)C1	REAL300025504842	0	46	0.0	-73.60	387.46	-1.30	-74.90
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025504850	0	49	0.0	-71.44	405.23	-0.91	-72.35
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(C)[NH+]2CC(C)C2)C1	REAL300025504864	1	53	0.0	-68.62	437.39	0.32	-68.30
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@@H+]2CCC2C)C1	REAL300025504865	1	50	0.0	-67.69	420.29	-0.01	-67.70
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N@H+]2CCC2C)C1	REAL300025504865	1	50	0.0	-70.65	413.92	-0.42	-71.07
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C=CC[NH+](C)C)C1	REAL300025504867	0	50	0.0	-76.33	423.45	-0.07	-76.40
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CC(C)(C)C2)C1	REAL300025504871	1	53	0.0	-73.59	436.66	0.32	-73.27
CC[NH+](CC)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1	REAL300025504883	0	52	0.0	-67.70	419.89	0.06	-67.64
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC2)C1	REAL300025504888	1	47	0.0	-73.49	397.55	-0.88	-74.37
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(C)[NH+]2CCC2)C1	REAL300025504927	1	50	0.0	-68.97	416.47	-0.30	-69.27
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1	REAL300025504948	0	53	0.0	-66.81	430.34	0.42	-66.39
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)[C@H]2CCCC[N@H+]2C)C1	REAL300025504948	1	53	0.0	-67.82	417.70	-0.05	-67.87
C=CCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1)[NH+](C)C	REAL300025504967	0	53	0.0	-72.54	433.04	0.35	-72.19
COC1(CNC(=O)CSC(N)=[NH2+])CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025504988	0	44	0.0	-74.92	395.38	-4.33	-79.25
CCC1C[NH+](CC(=O)NCC2(OC)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025505037	1	53	0.0	-74.82	440.36	0.62	-74.20
COC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025505041	0	50	0.0	-72.78	407.45	-0.71	-73.49
COC1(CNC(=O)[C@@H]2CCC[N@H+]2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025505041	1	50	0.0	-70.69	413.37	-0.22	-70.91
COC1(CNC(=O)C[NH+]2CCCCC2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025505047	0	53	0.0	-73.18	429.32	0.61	-72.57
COC1(CNC(=O)C2CC[N@H+](C)C2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025505051	0	53	0.0	-73.72	429.38	0.33	-73.39
COC1(CNC(=O)C2CC[N@@H+](C)C2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025505051	1	53	0.0	-72.51	433.08	0.32	-72.19
C[N@@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505195	0	53	0.0	-66.46	411.13	4.03	-62.43
C[N@H+]1CCCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505195	1	53	0.0	-70.71	406.64	3.49	-67.22
CCC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1)[NH+](C)C	REAL300025505298	0	55	0.0	-68.51	417.63	3.82	-64.69
CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505303	0	55	0.0	-73.10	427.55	4.00	-69.10
CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505303	1	55	0.0	-73.22	427.51	4.01	-69.21
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505311	0	53	0.0	-69.78	406.94	3.14	-66.64
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505311	1	53	0.0	-68.45	409.06	3.61	-64.84
CC[NH+](CC)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505316	0	55	0.0	-71.59	419.86	3.68	-67.91
CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505374	0	55	0.0	-73.76	427.54	4.13	-69.63
CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505374	1	55	0.0	-69.99	429.16	4.46	-65.53
CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1)[NH+](C)C	REAL300025505377	0	55	0.0	-68.75	416.13	4.26	-64.49
C[NH+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505395	0	49	0.0	-73.55	388.28	2.59	-70.96
CC(C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1)[NH+]1CCC1	REAL300025505399	1	53	0.0	-69.11	416.00	4.01	-65.10
C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1)C1CC1	REAL300025505406	0	53	0.0	-65.21	418.15	4.59	-60.62
C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1)C1CC1	REAL300025505406	1	53	0.0	-66.71	418.32	4.65	-62.06
C[NH+]1CC(CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]3C2)C1	REAL300025505412	0	53	0.0	-67.55	420.24	3.98	-63.57
C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1)[NH+](C)C	REAL300025505419	0	52	0.0	-70.73	402.99	3.20	-67.53
[N-]=[N+]=NCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NC(=O)NN3)C[C@H]2C1	REAL300025505422	0	43	0.0	-25.04	365.06	-1.81	-26.85
C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1)[NH+](C)C	REAL300025505441	0	52	0.0	-70.73	402.99	3.20	-67.53
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C[NH+]3CCC3)C[C@@H]2C1	REAL300025505459	1	50	0.0	-68.29	399.14	3.61	-64.68
C[C@H](C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1)[NH+](C)C	REAL300025505470	0	52	0.0	-66.24	402.28	3.28	-62.96
CC1C[NH+](CC(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]3C2)C1	REAL300025505477	1	53	0.0	-68.75	420.36	4.27	-64.48
C[N@H+](CCO)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505488	1	53	0.0	-74.39	416.36	0.03	-74.36
C[N@@H+](CCO)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505488	1	53	0.0	-73.19	416.18	0.02	-73.17
CC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505495	0	52	0.0	-71.77	405.13	3.54	-68.23
CC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505495	1	52	0.0	-72.91	406.01	3.27	-69.64
C[NH+](C)CC=CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505513	0	53	0.0	-73.71	423.75	4.12	-69.59
CC[N@@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505519	1	53	0.0	-72.73	418.09	3.47	-69.26
CC[N@H+]1CCC1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505519	1	53	0.0	-68.03	410.67	3.72	-64.31
C[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505533	0	55	0.0	-79.46	405.19	4.05	-75.41
C[NH+](C)C1(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]3C2)CC1	REAL300025505556	0	53	0.0	-73.35	410.12	3.54	-69.81
CC(C[NH+](C)C)C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505578	0	55	0.0	-75.36	425.05	3.95	-71.41
CC1CC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505589	1	53	0.0	-66.55	420.38	4.25	-62.30
CC1CC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025505589	1	53	0.0	-69.06	418.71	4.08	-64.98
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025505704	0	53	0.0	-66.52	406.75	3.13	-63.39
C[N@H+]1CCCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025505704	1	53	0.0	-63.53	407.76	3.70	-59.83
CCC(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025505778	0	55	0.0	-59.19	417.63	4.24	-54.95
CCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025505782	0	55	0.0	-68.97	427.50	4.05	-64.92
CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025505782	1	55	0.0	-64.41	427.28	4.26	-60.15
CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025505799	0	55	0.0	-70.68	428.42	3.87	-66.81
CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025505799	1	55	0.0	-70.46	428.40	3.89	-66.57
CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025505840	0	55	0.0	-61.51	418.47	4.26	-57.25
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025505886	0	53	0.0	-66.57	406.83	3.13	-63.44
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025505886	1	53	0.0	-66.31	411.69	3.51	-62.80
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025505941	0	52	0.0	-64.41	404.54	3.22	-61.19
C[N@H+](CCO)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025505951	1	53	0.0	-65.66	416.13	0.28	-65.38
C[N@@H+](CCO)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025505951	1	53	0.0	-68.90	416.11	0.08	-68.82
CC1C[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025505967	1	53	0.0	-69.19	419.56	3.73	-65.46
CC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025505985	0	52	0.0	-68.70	406.01	3.31	-65.39
CC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025505985	1	52	0.0	-64.14	405.78	3.51	-60.63
CC(C[NH+](C)C)C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025506018	0	55	0.0	-76.99	427.12	3.78	-73.21
C[NH+](C)C1(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)CC1	REAL300025506021	0	53	0.0	-61.89	410.14	3.53	-58.36
C[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025506025	0	52	0.0	-58.95	404.70	3.55	-55.40
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025506028	1	53	0.0	-63.62	419.17	3.79	-59.83
CC[N@H+]1CCC1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025506028	1	53	0.0	-64.32	419.29	4.04	-60.28
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025506037	0	55	0.0	-65.08	407.11	3.27	-61.81
[N-]=[N+]=NCC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NC(=O)NN3)C[C@@H]2C1	REAL300025506086	0	43	0.0	-23.15	364.61	-1.34	-24.49
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025506099	0	53	0.0	-61.99	411.24	3.63	-58.36
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025506099	1	53	0.0	-65.59	406.09	3.55	-62.04
C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CC1	REAL300025506136	0	53	0.0	-62.11	417.45	4.38	-57.73
C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)C1CC1	REAL300025506136	1	53	0.0	-66.95	417.72	4.04	-62.91
C[NH+]1CC(CC(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)C1	REAL300025506164	0	53	0.0	-66.12	419.06	3.88	-62.24
C[NH+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025506167	0	49	0.0	-65.40	388.17	2.98	-62.42
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+](C)C	REAL300025506170	0	52	0.0	-64.41	404.54	3.22	-61.19
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025506179	1	53	0.0	-62.73	419.16	3.93	-58.80
CC1CC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025506179	1	53	0.0	-63.99	419.16	4.05	-59.94
C[NH+](C)CC=CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025506180	0	53	0.0	-74.27	423.34	3.81	-70.46
CC[NH+](CC)CC(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025506186	0	55	0.0	-64.86	422.56	3.90	-60.96
O=C(C[NH+]1CCC1)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1	REAL300025506187	1	50	0.0	-69.22	398.31	3.09	-66.13
CC(C(=O)N1C[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C1)[NH+]1CCC1	REAL300025506210	1	53	0.0	-73.11	417.08	4.10	-69.01
NC(=[NH2+])SCC(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025506250	0	47	0.0	-75.69	396.80	-0.43	-76.12
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025506282	0	53	0.0	-67.27	414.65	4.10	-63.17
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300025506282	1	53	0.0	-72.94	406.47	3.35	-69.59
C[N@@H+]1CCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025506464	0	47	0.0	-63.06	384.49	2.19	-60.87
C[N@H+]1CCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025506464	1	47	0.0	-64.40	383.56	2.20	-62.20
C[N@@H+]1CCOC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025506488	1	48	0.0	-77.60	395.99	1.56	-76.04
C[N@H+]1CCOC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025506488	1	48	0.0	-69.50	395.82	1.57	-67.93
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025506633	0	53	0.0	-66.81	412.84	3.13	-63.68
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025506633	1	53	0.0	-63.10	418.58	2.98	-60.12
CC1=[NH+]C=CN1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025506656	1	45	0.0	-65.69	389.63	2.51	-63.18
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1C[NH+]2CCC1CC2	REAL300025506676	0	51	0.0	-62.92	399.75	2.93	-59.99
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025506702	0	50	0.0	-65.35	394.89	2.10	-63.25
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025506702	1	50	0.0	-63.39	400.51	2.64	-60.75
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025506704	0	53	0.0	-66.55	416.73	2.54	-64.01
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025506704	1	53	0.0	-65.88	422.26	2.87	-63.01
CC[N@@H+]1CCOC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025506708	1	51	0.0	-76.35	413.81	2.22	-74.13
CC[N@H+]1CCOC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025506708	1	51	0.0	-67.39	413.47	2.22	-65.17
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025506747	0	53	0.0	-62.02	415.39	2.99	-59.03
O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025506750	0	53	0.0	-67.44	426.70	3.54	-63.90
O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025506752	0	53	0.0	-66.78	421.87	3.54	-63.24
C[N@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025506785	0	50	0.0	-64.55	404.69	3.10	-61.45
C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025506785	1	50	0.0	-63.55	404.69	3.10	-60.45
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025506840	0	53	0.0	-65.26	425.72	3.63	-61.63
C[N@H+]1CCCC1CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025506840	1	53	0.0	-66.55	420.46	3.21	-63.34
C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025506853	0	50	0.0	-71.53	403.06	2.78	-68.75
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300025506917	0	45	0.0	-69.71	390.57	4.39	-65.32
O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025506923	1	51	0.0	-70.09	413.74	1.12	-68.97
CC1=C[NH+]=CN1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025506934	1	45	0.0	-65.60	389.85	3.20	-62.40
C[N@@H+]1CCC(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025506953	0	50	0.0	-69.58	405.12	2.70	-66.88
C[N@H+]1CCC(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025506953	1	50	0.0	-70.73	405.13	2.74	-67.99
CCC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025506960	0	49	0.0	-66.35	389.18	2.06	-64.29
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300025506977	1	45	0.0	-71.47	389.16	4.64	-66.83
C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507000	0	52	0.0	-69.98	423.82	3.26	-66.72
CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507011	0	52	0.0	-67.87	420.06	3.07	-64.80
CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507011	1	52	0.0	-68.09	420.06	3.06	-65.03
CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507013	0	49	0.0	-66.00	397.70	2.52	-63.48
CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507013	1	49	0.0	-67.10	399.31	2.27	-64.83
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C12CC[N@H+](C1)CCC2	REAL300025507023	0	51	0.0	-68.87	400.25	2.36	-66.51
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C12CC[N@@H+](C1)CCC2	REAL300025507023	1	51	0.0	-66.31	400.30	2.35	-63.96
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507044	0	47	0.0	-68.13	378.58	1.67	-66.46
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507044	1	47	0.0	-64.55	384.92	2.19	-62.36
CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507069	0	49	0.0	-64.89	394.57	2.48	-62.41
CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025507115	0	53	0.0	-65.60	420.90	3.62	-61.98
C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025507130	0	50	0.0	-72.10	410.50	2.83	-69.27
C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025507168	0	50	0.0	-71.53	403.06	2.78	-68.75
CCC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](CC)CC	REAL300025507194	0	55	0.0	-59.46	425.40	3.44	-56.02
CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507223	0	49	0.0	-67.29	398.73	2.34	-64.95
CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507223	1	49	0.0	-67.58	398.56	2.32	-65.26
CC1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507244	0	50	0.0	-62.60	397.07	2.52	-60.08
CC1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507244	1	50	0.0	-64.36	404.93	2.55	-61.81
CC1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507245	0	50	0.0	-66.20	406.10	2.60	-63.60
CC1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507245	1	50	0.0	-65.10	404.02	2.81	-62.29
CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507247	0	53	0.0	-64.77	423.50	3.37	-61.40
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507247	1	53	0.0	-64.72	423.60	3.38	-61.34
C[N@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)CC(C)(C)C	REAL300025507248	0	55	0.0	-67.07	427.92	3.26	-63.81
C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)CC(C)(C)C	REAL300025507248	1	55	0.0	-64.85	428.25	3.67	-61.18
CC[C@@H](C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025507254	0	49	0.0	-63.29	390.29	1.87	-61.42
C[NH+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507326	0	43	0.0	-66.43	358.34	1.13	-65.30
O=C(C[NH+]1CCCCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507329	0	53	0.0	-65.80	409.40	3.20	-62.60
CN1C=C[N+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300025507332	0	45	0.0	-65.69	389.68	4.63	-61.06
C[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507335	0	50	0.0	-69.00	404.58	2.50	-66.50
C[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507335	1	50	0.0	-66.55	403.05	2.73	-63.82
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1CCC[N@@H+]1C1CC1	REAL300025507339	0	51	0.0	-61.91	416.09	3.63	-58.28
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1CCC[N@H+]1C1CC1	REAL300025507339	1	51	0.0	-67.13	410.49	2.71	-64.42
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025507349	1	47	0.0	-65.79	388.53	2.11	-63.68
CCC(CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025507353	0	55	0.0	-67.23	431.28	3.93	-63.30
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507367	1	51	0.0	-69.53	411.53	-0.33	-69.86
C[N@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025507368	0	47	0.0	-63.60	387.78	2.58	-61.02
C[N@@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025507368	1	47	0.0	-63.41	387.94	2.58	-60.83
C[NH+]1CC(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507380	0	47	0.0	-69.42	389.76	1.94	-67.48
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507389	0	53	0.0	-60.76	403.33	2.62	-58.14
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507389	1	53	0.0	-62.54	421.30	2.61	-59.93
C[C@@H](C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025507400	0	46	0.0	-62.68	376.49	1.55	-61.13
[N-]=[N+]=NCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NC(=O)NN1)C2	REAL300025507407	0	37	0.0	-21.95	336.65	-2.75	-24.70
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507444	0	43	0.0	-63.73	385.53	1.40	-62.33
C[N@H+](CCO)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507449	0	50	0.0	-68.35	408.92	-0.88	-69.23
C[N@@H+](CCO)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507449	1	50	0.0	-66.58	408.86	-0.88	-67.46
C[C@@H](C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025507450	0	46	0.0	-62.68	376.49	1.55	-61.13
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507453	0	50	0.0	-65.88	391.29	2.54	-63.34
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507453	1	50	0.0	-65.26	400.33	2.76	-62.50
C[N@@H+]1CCC(=CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507507	0	48	0.0	-71.29	396.35	2.67	-68.62
C[N@H+]1CCC(=CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507507	1	48	0.0	-72.13	397.89	2.45	-69.68
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507524	0	50	0.0	-69.70	414.36	2.17	-67.53
C=CCC(C)(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025507535	0	53	0.0	-70.89	413.31	3.37	-67.52
CC1CN(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507565	0	47	0.0	-65.62	389.90	2.22	-63.40
CC1C[NH+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507565	1	47	0.0	-65.62	389.90	2.22	-63.40
CN(CCO)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507582	0	47	0.0	-66.86	388.16	-1.71	-68.57
C[N@H+](CCO)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507582	1	47	0.0	-67.83	387.95	-1.71	-69.54
C[N@@H+](CCO)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507582	1	47	0.0	-67.83	387.95	-1.71	-69.54
CC[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507598	0	53	0.0	-61.62	416.17	3.30	-58.32
CC[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507598	1	53	0.0	-61.62	416.17	3.30	-58.32
CC(CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025507600	0	52	0.0	-68.35	415.65	3.12	-65.23
CC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507603	0	46	0.0	-65.41	376.20	1.78	-63.63
CC[N@H+](CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025507627	0	50	0.0	-63.41	405.00	3.10	-60.31
CC[NH+](CC)CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507635	0	52	0.0	-66.97	412.06	2.76	-64.21
CC1(O)CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025507666	0	51	0.0	-66.11	414.50	-0.47	-66.58
C[NH+](C)CC=CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507668	0	47	0.0	-69.54	394.43	2.33	-67.21
CC(OCC[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507674	0	53	0.0	-69.84	434.25	2.87	-66.97
C[NH+](C)CCOCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507680	0	53	0.0	-66.59	435.28	1.92	-64.67
COCCN(C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507681	0	50	0.0	-68.00	410.19	0.69	-67.31
COCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507681	1	50	0.0	-66.81	410.42	0.69	-66.12
COCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507681	1	50	0.0	-66.81	410.42	0.69	-66.12
CC(CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025507697	0	52	0.0	-68.17	415.81	2.87	-65.30
CCN1CCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507703	0	47	0.0	-64.52	383.44	1.86	-62.66
CC[N@@H+]1CCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507703	1	47	0.0	-63.93	384.57	1.50	-62.43
CC[N@H+]1CCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507703	1	47	0.0	-63.93	384.57	1.50	-62.43
O=C(C[N@H+]1CCCC1CO)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507713	0	51	0.0	-63.72	411.57	-0.25	-63.97
C=CCC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025507743	0	50	0.0	-66.59	406.60	2.81	-63.78
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507747	0	53	0.0	-64.11	424.06	3.17	-60.94
C[NH+](C)CCCCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507749	0	55	0.0	-70.45	445.32	4.04	-66.41
CCCC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025507766	0	52	0.0	-62.67	414.26	3.48	-59.19
C[N@@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507788	0	50	0.0	-62.77	391.19	2.57	-60.20
C[N@H+]1CC=C(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025507807	0	51	0.0	-68.12	419.24	3.18	-64.94
C[N@@H+]1CC=C(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025507807	1	51	0.0	-68.12	419.24	3.18	-64.94
O=C(C=CC[NH+]1CCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507834	0	51	0.0	-68.03	420.02	3.50	-64.53
O=C(CC[NH+]1CCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507857	0	50	0.0	-66.76	405.63	2.80	-63.96
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507883	0	51	0.0	-63.26	405.51	3.24	-60.02
O=C(CN1CC2C=CC1C2)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507917	0	49	0.0	-63.86	397.91	2.98	-60.88
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507917	1	49	0.0	-63.85	398.07	3.10	-60.75
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507917	1	49	0.0	-63.85	398.07	3.10	-60.75
CC(C[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507940	0	49	0.0	-66.91	397.05	2.40	-64.51
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507976	0	53	0.0	-67.06	417.76	3.31	-63.75
C[N@H+]1CCCCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507976	1	53	0.0	-67.06	417.76	3.31	-63.75
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)N1CC(C)C1	REAL300025507984	0	50	0.0	-65.68	407.95	2.60	-63.08
CC(C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300025507984	1	50	0.0	-65.68	407.95	2.60	-63.08
CC1CCN1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507986	0	47	0.0	-65.45	385.87	1.68	-63.77
CC1CC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507986	1	47	0.0	-65.35	391.32	1.95	-63.40
CC1CC[N@H+]1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507986	1	47	0.0	-65.35	391.32	1.95	-63.40
C[NH+](C)CC(O)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507987	0	50	0.0	-71.18	411.25	0.16	-71.02
CC1CN(C)CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)O1	REAL300025508001	0	51	0.0	-70.30	412.23	2.04	-68.26
CC1C[N@H+](C)CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)O1	REAL300025508001	1	51	0.0	-70.23	409.73	1.86	-68.37
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)O1	REAL300025508001	1	51	0.0	-70.23	409.73	1.86	-68.37
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025508037	0	50	0.0	-70.49	407.87	2.85	-67.64
CC(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025508041	0	52	0.0	-69.47	418.63	3.01	-66.46
CN1CCN(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025508054	0	52	0.0	-68.32	418.80	0.36	-67.96
C[NH+]1CCN(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025508054	1	52	0.0	-68.32	418.80	0.36	-67.96
C[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508223	0	47	0.0	-65.40	382.03	2.33	-63.07
C[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508223	1	47	0.0	-70.21	379.84	1.59	-68.62
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CC[NH+]1CCOCC1)C2	REAL300025508398	1	51	0.0	-74.97	416.01	1.11	-73.86
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C13CCC[NH+]1CCC3)C2	REAL300025508407	0	51	0.0	-65.69	399.00	2.51	-63.18
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC3=C[NH+]=CN3C=C1)C2	REAL300025508410	1	45	0.0	-79.57	383.43	4.15	-75.42
C[N@@H+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025508433	0	50	0.0	-69.75	406.34	3.08	-66.67
C[N@H+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025508433	1	50	0.0	-72.46	407.62	2.66	-69.80
CCC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025508440	0	49	0.0	-66.55	389.62	2.55	-64.00
C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508473	0	52	0.0	-72.36	426.11	3.24	-69.12
CC(C)C(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025508487	0	52	0.0	-69.30	403.39	2.46	-66.84
CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508488	0	52	0.0	-72.77	422.51	3.05	-69.72
CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508488	1	52	0.0	-71.56	422.98	3.11	-68.45
CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508491	0	49	0.0	-69.53	400.62	2.56	-66.97
CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508491	1	49	0.0	-70.59	399.98	2.50	-68.09
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C13CC[N@H+](C1)CCC3)C2	REAL300025508504	0	51	0.0	-76.34	391.90	2.33	-74.01
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C13CC[N@@H+](C1)CCC3)C2	REAL300025508504	1	51	0.0	-70.89	393.06	2.35	-68.54
CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025508532	0	53	0.0	-69.89	424.11	3.56	-66.33
C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025508570	0	50	0.0	-66.50	411.29	2.77	-63.73
CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508588	0	49	0.0	-71.00	401.48	2.38	-68.62
CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508588	1	49	0.0	-70.85	401.48	2.37	-68.48
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1C[NH+]3CCC1CC3)C2	REAL300025508600	0	51	0.0	-77.84	396.66	3.02	-74.82
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025508641	0	50	0.0	-75.06	405.97	2.68	-72.38
CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025508656	0	52	0.0	-65.13	405.01	2.99	-62.14
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025508720	0	50	0.0	-72.90	389.83	2.73	-70.17
CCC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025508748	0	55	0.0	-62.23	424.74	3.71	-58.52
CC1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508757	0	50	0.0	-66.80	403.61	3.22	-63.58
CC1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508757	1	50	0.0	-66.78	404.54	3.26	-63.52
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508793	0	53	0.0	-65.32	405.39	3.33	-61.99
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508793	1	53	0.0	-65.42	416.23	3.03	-62.39
CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025508800	0	52	0.0	-70.22	401.95	3.01	-67.21
CC1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025508813	0	50	0.0	-68.88	406.82	2.75	-66.13
CC1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025508813	1	50	0.0	-68.86	406.80	2.75	-66.11
CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025508816	0	53	0.0	-68.82	424.52	3.71	-65.11
CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025508816	1	53	0.0	-68.98	424.93	3.72	-65.26
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025508817	0	55	0.0	-70.19	428.59	3.48	-66.71
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300025508817	1	55	0.0	-70.43	430.53	3.65	-66.78
CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025508824	0	49	0.0	-67.89	389.60	2.57	-65.32
CC1=[NH+]C=CN1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508913	1	45	0.0	-66.32	390.15	2.69	-63.63
CC[N@@H+]1CCOC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025508961	1	51	0.0	-75.53	404.02	1.83	-73.70
CC[N@H+]1CCOC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025508961	1	51	0.0	-80.82	411.00	2.00	-78.82
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN3C=[NH+]C=C3C=C1)C2	REAL300025508984	0	45	0.0	-73.72	383.15	4.14	-69.58
CC1=C[NH+]=CN1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025508987	1	45	0.0	-70.22	390.51	3.43	-66.79
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025508992	0	50	0.0	-71.90	396.23	2.81	-69.09
C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025508992	1	50	0.0	-72.40	401.89	2.74	-69.66
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025508994	0	53	0.0	-71.58	414.46	2.52	-69.06
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025508994	1	53	0.0	-70.82	418.06	3.43	-67.39
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509000	0	53	0.0	-66.13	417.48	2.95	-63.18
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CCC[NH+]1CCCC1)C2	REAL300025509003	0	53	0.0	-70.12	427.82	3.94	-66.18
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CC[NH+]1CCCCC1)C2	REAL300025509007	0	53	0.0	-71.36	424.75	3.53	-67.83
CC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509010	0	53	0.0	-66.78	419.86	3.28	-63.50
CC[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509010	1	53	0.0	-66.36	407.54	2.82	-63.54
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025509094	0	50	0.0	-67.25	405.31	3.48	-63.77
C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025509094	1	50	0.0	-68.26	405.36	3.45	-64.81
C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025509119	0	50	0.0	-75.06	405.97	2.68	-72.38
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509144	0	47	0.0	-67.75	379.95	1.58	-66.17
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509144	1	47	0.0	-66.26	384.43	1.97	-64.29
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509161	1	49	0.0	-66.64	405.20	3.25	-63.39
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509161	1	49	0.0	-67.14	410.20	3.19	-63.95
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509166	0	53	0.0	-74.07	424.65	3.42	-70.65
C[N@H+]1CCCC1CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509166	1	53	0.0	-70.39	423.13	3.89	-66.50
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509231	0	50	0.0	-66.14	388.20	2.65	-63.49
C[N@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509231	1	50	0.0	-66.57	386.18	2.72	-63.85
CC1C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025509283	0	50	0.0	-66.72	400.09	2.88	-63.84
CC1C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025509283	1	50	0.0	-74.06	403.31	2.33	-71.73
CC(C)(C)[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509335	0	53	0.0	-65.82	422.50	2.78	-63.04
CC(C)(C)[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509335	1	53	0.0	-65.14	398.87	2.63	-62.51
C[C@@H](C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025509349	0	46	0.0	-67.85	377.36	1.90	-65.95
C=CCC(C)(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025509362	0	53	0.0	-63.72	405.27	2.57	-61.15
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CC[NH+]1CCCC1)C2	REAL300025509376	0	50	0.0	-70.77	406.32	3.14	-67.63
C[N@H+](CCO)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509385	1	47	0.0	-71.45	388.84	-1.49	-72.94
C[N@@H+](CCO)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509385	1	47	0.0	-69.49	389.25	-1.43	-70.92
C[N@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025509434	0	51	0.0	-68.74	420.64	3.40	-65.34
C[N@@H+]1CC=C(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025509434	1	51	0.0	-66.96	418.45	3.82	-63.14
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509452	0	51	0.0	-70.32	393.02	-0.91	-71.23
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509452	1	51	0.0	-76.28	399.05	-0.70	-76.98
CC1C[NH+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025509478	1	47	0.0	-69.96	389.54	2.65	-67.31
CC[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025509484	0	53	0.0	-68.33	413.37	3.83	-64.50
CC[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025509484	1	53	0.0	-62.53	410.90	3.66	-58.87
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCC[N@@H+]1C1CC1)C2	REAL300025509495	0	51	0.0	-64.99	410.07	3.29	-61.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CCC[N@H+]1C1CC1)C2	REAL300025509495	1	51	0.0	-64.28	407.19	3.76	-60.52
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C=CC[NH+]1CCCC1)C2	REAL300025509516	0	51	0.0	-76.69	420.13	3.49	-73.20
CC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509557	0	46	0.0	-70.09	378.48	1.77	-68.32
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CN1CC3C=CC1C3)C2	REAL300025509588	0	49	0.0	-67.10	399.12	3.49	-63.61
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C[N@@H+]1CC3C=CC1C3)C2	REAL300025509588	1	49	0.0	-67.63	400.63	3.11	-64.52
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C[N@H+]1CC3C=CC1C3)C2	REAL300025509588	1	49	0.0	-67.63	400.63	3.11	-64.52
CC(OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509662	0	53	0.0	-69.65	430.07	3.04	-66.61
C[NH+](C)CCOCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509669	0	53	0.0	-70.87	437.57	1.89	-68.98
COCCN(C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509671	0	50	0.0	-69.83	410.83	0.95	-68.88
COCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509671	1	50	0.0	-71.74	411.09	0.91	-70.83
COCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509671	1	50	0.0	-71.74	411.09	0.91	-70.83
CC(CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025509674	0	52	0.0	-70.33	418.03	2.83	-67.50
CC[N@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025509688	0	50	0.0	-65.95	406.05	3.57	-62.38
C[N@@H+]1CC2CC1(C(=O)N1C[C@@H]3C[C@H]1[C@@H]3NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025509713	0	48	0.0	-70.83	387.52	2.70	-68.13
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C[N@@H+]1CC3CCC1C3)C2	REAL300025509720	0	51	0.0	-67.55	403.22	3.38	-64.17
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C[N@H+]1CC3CCC1C3)C2	REAL300025509720	1	51	0.0	-67.55	403.22	3.38	-64.17
CC(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509734	0	49	0.0	-71.60	397.40	2.58	-69.02
CCN1CCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509764	0	47	0.0	-69.14	390.79	2.41	-66.73
CC[N@@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509764	1	47	0.0	-69.61	392.55	2.06	-67.55
CC[N@H+]1CCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509764	1	47	0.0	-69.61	392.55	2.06	-67.55
CCC(C)(C)[NH2+]C(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509772	0	55	0.0	-66.60	420.13	2.12	-64.48
CCCC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025509803	0	52	0.0	-67.24	411.24	3.31	-63.93
C[NH+](C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509807	0	49	0.0	-71.69	380.49	1.89	-69.80
CC(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509820	0	52	0.0	-73.04	420.28	3.21	-69.83
C[N@@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509870	0	53	0.0	-65.06	422.03	3.56	-61.50
C[N@H+]1CC(C)(C)CC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509870	1	53	0.0	-65.06	422.03	3.56	-61.50
C[NH+](C)CCCCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509872	0	55	0.0	-71.58	447.60	4.00	-67.58
CN1CCN(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025509879	0	52	0.0	-67.79	419.16	1.05	-66.74
C[NH+]1CCN(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025509879	1	52	0.0	-67.79	419.16	1.05	-66.74
CC1CN(C)CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025509925	0	51	0.0	-81.64	406.00	2.44	-79.20
CC1C[N@H+](C)CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025509925	1	51	0.0	-77.37	407.68	1.95	-75.42
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025509925	1	51	0.0	-77.37	407.68	1.95	-75.42
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C[NH+]1CC3CC3C1)C2	REAL300025509952	0	48	0.0	-69.96	393.75	3.29	-66.67
C[N@@H+]1CCCCC1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025509971	0	50	0.0	-66.57	386.18	2.72	-63.85
C[N@@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025510032	0	48	0.0	-75.14	396.65	2.62	-72.52
C[N@H+]1CCC(=CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025510032	1	48	0.0	-75.14	396.65	2.62	-72.52
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CNC1=CC=[NH+]C=C1)C2	REAL300025510034	0	46	0.0	-68.18	395.34	0.82	-67.36
C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025510085	0	53	0.0	-64.44	393.11	2.68	-61.76
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510103	0	47	0.0	-69.88	378.06	1.94	-67.94
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510103	1	47	0.0	-69.88	378.06	1.94	-67.94
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025510185	0	50	0.0	-67.18	409.08	3.25	-63.93
C[NH+](C)CCC1(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025510193	0	53	0.0	-66.58	435.10	3.48	-63.10
C[N@@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510194	0	51	0.0	-71.81	412.60	3.20	-68.61
C[N@H+]1CC=CCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510194	1	51	0.0	-73.43	410.23	3.53	-69.90
C[NH+](C)CCOCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510223	0	50	0.0	-68.57	417.37	2.18	-66.39
[NH2+]=C1SC=CN1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510248	0	43	0.0	-64.84	386.09	1.64	-63.20
C[C@@H](OCC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510281	0	53	0.0	-66.12	431.97	2.66	-63.46
C[N@@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025510307	0	50	0.0	-70.99	404.33	3.02	-67.97
C[N@H+]1CCCC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025510307	1	50	0.0	-70.99	404.33	3.02	-67.97
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C[NH+]1CCCCCC1)C2	REAL300025510308	0	53	0.0	-69.48	412.28	3.13	-66.35
CN1C=C[N+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025510311	0	45	0.0	-65.80	390.85	5.06	-60.74
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CN1CCC(O)CC1)C2	REAL300025510330	0	51	0.0	-73.43	413.97	-0.41	-73.84
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C[NH+]1CCC(O)CC1)C2	REAL300025510330	1	51	0.0	-73.43	413.97	-0.41	-73.84
C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025510331	0	47	0.0	-66.74	389.01	2.96	-63.78
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CC[N@H+]1CCC(F)C1)C2	REAL300025510334	0	50	0.0	-72.64	413.72	3.29	-69.35
CC(CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025510353	0	52	0.0	-74.99	418.61	3.08	-71.91
CN1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510372	0	51	0.0	-75.26	409.61	1.31	-73.95
C[N@@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510372	1	51	0.0	-64.65	402.14	1.15	-63.50
C[N@H+]1CCOCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510372	1	51	0.0	-64.65	402.14	1.15	-63.50
CC1(O)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025510435	0	51	0.0	-68.26	417.45	-0.59	-68.85
C[NH+]1CC(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025510458	0	47	0.0	-70.76	390.84	2.36	-68.40
C[N@H+](CCO)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510482	0	50	0.0	-71.61	411.15	-0.89	-72.50
C[N@@H+](CCO)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510482	1	50	0.0	-71.61	411.15	-0.89	-72.50
C[N@@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510497	0	53	0.0	-62.02	412.89	3.15	-58.87
C[N@H+]1CCCCC1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510497	1	53	0.0	-62.02	412.89	3.15	-58.87
CC1CCN1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510509	0	47	0.0	-66.67	385.92	2.40	-64.27
CC1CC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510509	1	47	0.0	-68.95	390.43	2.54	-66.41
CC1CC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510509	1	47	0.0	-68.95	390.43	2.54	-66.41
C[NH+](C)CC=CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510515	0	47	0.0	-78.17	395.06	2.32	-75.85
CC1(C)CN(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025510521	0	50	0.0	-69.64	411.56	2.65	-66.99
CC1(C)C[NH+](CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025510521	1	50	0.0	-69.64	411.56	2.65	-66.99
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C[N@H+]1CCCC1CO)C2	REAL300025510556	0	51	0.0	-68.35	409.24	-0.43	-68.78
CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510560	0	49	0.0	-67.50	391.13	2.59	-64.91
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CN1CCC1)C2	REAL300025510569	0	44	0.0	-69.76	369.54	1.94	-67.82
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C[NH+]1CCC1)C2	REAL300025510569	1	44	0.0	-69.76	369.54	1.94	-67.82
CC[NH+](CC)CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510597	0	52	0.0	-71.00	418.69	3.00	-68.00
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)N1CCC1	REAL300025510649	0	47	0.0	-69.94	379.46	2.19	-67.75
CC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025510649	1	47	0.0	-69.94	379.46	2.19	-67.75
CCC(CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025510654	0	55	0.0	-71.00	432.90	3.62	-67.38
C[NH+](C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510659	0	52	0.0	-72.55	398.45	2.99	-69.56
C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510691	0	50	0.0	-65.18	400.30	3.01	-62.17
C[NH+](C)CC(O)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300025510712	0	50	0.0	-74.29	413.98	0.13	-74.16
C=CCC(C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025510733	0	50	0.0	-66.61	401.95	2.91	-63.70
C[NH+]1CCC(C)(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025510745	0	53	0.0	-71.10	409.38	2.57	-68.53
NC(=[NH2+])SCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025510766	0	41	0.0	-67.91	367.17	-2.00	-69.91
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025510785	0	51	0.0	-67.43	409.65	3.17	-64.26
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025510785	1	51	0.0	-67.43	409.65	3.17	-64.26
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025510795	0	53	0.0	-69.81	434.19	2.87	-66.94
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025510856	1	47	0.0	-62.84	380.10	1.40	-61.44
O=C(CC[N@@H+]1CCC(F)C1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025510862	1	50	0.0	-71.02	413.24	2.94	-68.08
O=C(C[NH+]1CCCCC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025510875	0	50	0.0	-64.75	400.42	3.02	-61.73
CC1C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025510880	0	50	0.0	-63.84	396.29	2.32	-61.52
CC1C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025510880	1	50	0.0	-67.98	399.88	2.32	-65.66
CN1CCOCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025510907	0	51	0.0	-67.32	401.85	0.79	-66.53
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025510907	1	51	0.0	-73.01	410.67	0.67	-72.34
C[N@H+]1CCOCC1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025510907	1	51	0.0	-67.32	401.85	0.79	-66.53
CCOCC(N=[N+]=[N-])C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NC(=O)NN1)C2	REAL300025510914	0	47	0.0	-21.54	413.93	-2.58	-24.12
C[NH+](C)CC(=O)NC1CN2C=CN=C2CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025511015	0	49	0.0	-83.55	404.07	1.70	-81.85
[N-]=[N+]=NCC(=O)NC1CN2C=CN=C2CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025511020	0	43	0.0	-31.49	381.04	-2.69	-34.18
[N-]=[N+]=NCC(=O)N1CC2=NC=CN2CC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025511085	0	43	0.0	-29.47	381.00	-2.78	-32.25
C[NH+](C)CC(=O)N1CC2=NC=CN2CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025511094	0	49	0.0	-74.99	404.07	1.61	-73.38
C[NH+](C)CC(=O)NC1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025511204	0	52	0.0	-73.17	413.45	2.56	-70.61
C[C@@H](C(=O)NC1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025511209	0	55	0.0	-67.45	430.13	2.91	-64.54
[N-]=[N+]=NCC(=O)NC1CC2(C1)CCCN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025511212	0	46	0.0	-24.75	390.45	-1.81	-26.56
C[C@@H](C(=O)NC1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025511222	0	55	0.0	-67.45	430.13	2.91	-64.54
O=C(C[NH+]1CCC1)NC1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025511230	1	53	0.0	-73.32	423.55	2.99	-70.33
C[C@H](C(=O)NC1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025511235	0	55	0.0	-71.20	431.66	3.00	-68.20
CC[N@H+](C)CC(=O)NC1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025511247	0	55	0.0	-71.48	431.25	3.23	-68.25
CC[N@@H+](C)CC(=O)NC1CC2(C1)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025511247	1	55	0.0	-68.28	429.74	3.17	-65.11
C[C@@H](C(=O)N1CCCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025511393	0	55	0.0	-71.98	429.41	2.81	-69.17
CC[N@H+](C)CC(=O)N1CCCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025511412	0	55	0.0	-71.51	429.70	3.08	-68.43
CC[N@@H+](C)CC(=O)N1CCCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025511412	1	55	0.0	-73.35	429.72	3.07	-70.28
C[C@H](C(=O)N1CCCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025511425	0	55	0.0	-71.65	428.05	2.75	-68.90
[N-]=[N+]=NCC(=O)N1CCCC2(CC(NC(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025511450	0	46	0.0	-23.74	388.93	-2.00	-25.74
C[NH+](C)CC(=O)N1CCCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025511481	0	52	0.0	-74.14	413.53	2.47	-71.67
C[C@@H](C(=O)N1CCCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1)[NH+](C)C	REAL300025511484	0	55	0.0	-71.98	429.41	2.81	-69.17
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CCCN(C(=O)C[NH+]1CCC1)C2	REAL300025511491	1	53	0.0	-74.35	423.81	2.94	-71.41
C[N@@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025511692	0	50	0.0	-71.86	400.76	2.47	-69.39
C[N@H+]1CCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025511692	1	50	0.0	-72.06	401.37	2.58	-69.48
C[N@@H+]1CCOC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025511716	1	51	0.0	-81.07	405.33	1.80	-79.27
C[N@H+]1CCOC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025511716	1	51	0.0	-77.15	405.36	1.82	-75.33
CC1=[NH+]C=CN1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025511855	1	48	0.0	-71.69	404.52	3.13	-68.56
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025511874	0	53	0.0	-79.56	411.75	2.51	-77.05
C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025511874	1	53	0.0	-65.19	403.07	3.58	-61.61
C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025511895	0	53	0.0	-63.25	396.86	3.90	-59.35
CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025511897	0	55	0.0	-73.32	422.39	3.76	-69.56
C[N@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025511907	0	53	0.0	-65.43	416.15	4.45	-60.98
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025511907	1	53	0.0	-73.75	421.32	3.51	-70.24
C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025511933	0	53	0.0	-78.86	419.66	3.17	-75.69
C[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025511939	0	53	0.0	-64.05	408.41	3.79	-60.26
C[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025511939	1	53	0.0	-63.57	409.31	3.95	-59.62
CC1=C[NH+]=CN1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025511956	1	48	0.0	-74.99	404.99	3.88	-71.11
C[N@@H+]1CCC(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025511966	0	53	0.0	-78.13	421.79	3.11	-75.02
C[N@H+]1CCC(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025511966	1	53	0.0	-76.85	421.14	3.12	-73.73
CCC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025511969	0	52	0.0	-72.21	405.56	2.51	-69.70
C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025511983	0	55	0.0	-77.23	440.47	3.65	-73.58
CC(C)C(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025511987	0	55	0.0	-72.65	424.11	3.74	-68.91
CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025511988	0	55	0.0	-68.16	431.68	4.42	-63.74
CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025511988	1	55	0.0	-68.12	431.67	4.40	-63.72
CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025511989	0	52	0.0	-75.66	414.30	2.94	-72.72
CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025511989	1	52	0.0	-75.62	414.27	2.93	-72.69
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512004	0	50	0.0	-73.75	395.16	2.07	-71.68
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512004	1	50	0.0	-64.05	391.86	3.33	-60.72
CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512016	0	52	0.0	-65.27	399.91	3.34	-61.93
C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025512070	0	53	0.0	-75.38	425.75	3.24	-72.14
C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025512094	0	53	0.0	-78.86	419.66	3.17	-75.69
CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025512109	0	55	0.0	-72.75	425.35	3.52	-69.23
CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512137	0	52	0.0	-67.53	410.21	3.66	-63.87
CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512137	1	52	0.0	-67.52	410.20	3.67	-63.85
CC1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512148	0	53	0.0	-72.37	421.12	3.19	-69.18
CC1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512148	1	53	0.0	-72.94	420.36	3.31	-69.63
CC1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025512149	0	53	0.0	-75.05	420.51	3.27	-71.78
CC1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025512149	1	53	0.0	-75.04	420.36	3.26	-71.78
CC[C@@H](C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025512151	0	52	0.0	-72.67	405.69	2.53	-70.14
C[NH+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512188	0	46	0.0	-75.92	375.04	1.52	-74.40
CN1C=C[N+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025512189	0	48	0.0	-73.39	406.26	5.03	-68.36
C[N@@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025512192	0	53	0.0	-68.45	413.35	3.35	-65.10
C[N@H+]1CCCC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025512192	1	53	0.0	-62.94	407.00	4.31	-58.63
CC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025512200	1	50	0.0	-64.23	396.78	3.26	-60.97
C[NH+](C)CC(C)(C)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512203	0	55	0.0	-66.19	407.41	3.79	-62.40
C[N@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025512210	0	50	0.0	-72.42	404.52	2.94	-69.48
C[N@@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025512210	1	50	0.0	-73.30	404.64	2.94	-70.36
C[NH+]1CC(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025512221	0	50	0.0	-76.38	406.51	2.34	-74.04
C[C@@H](C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025512233	0	49	0.0	-65.49	383.63	2.55	-62.94
[N-]=[N+]=NCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NC(=O)NN1	REAL300025512240	0	40	0.0	-25.45	352.06	-2.88	-28.33
C[N@H+](CCO)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512272	0	53	0.0	-67.41	420.53	0.44	-66.97
C[N@@H+](CCO)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512272	1	53	0.0	-67.27	420.41	0.43	-66.84
C[C@@H](C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025512273	0	49	0.0	-65.49	383.63	2.55	-62.94
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512276	0	53	0.0	-65.14	402.60	3.56	-61.58
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512276	1	53	0.0	-71.27	417.18	3.13	-68.14
O=C(C[NH+]1CCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512303	1	47	0.0	-75.59	385.33	1.96	-73.63
C[N@@H+]1CCC(=CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025512313	0	51	0.0	-78.03	412.96	3.09	-74.94
C[N@H+]1CCC(=CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025512313	1	51	0.0	-78.06	412.93	3.10	-74.96
C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512323	0	53	0.0	-74.43	430.96	2.58	-71.85
C[C@H](C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025512334	0	49	0.0	-73.32	393.05	1.93	-71.39
CC1C[NH+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025512351	1	50	0.0	-66.98	398.72	3.39	-63.59
C[N@H+](CCO)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512364	1	50	0.0	-76.43	403.15	-1.04	-77.47
C[N@@H+](CCO)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512364	1	50	0.0	-75.67	402.91	-1.05	-76.72
CC(CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025512376	0	55	0.0	-79.27	432.18	3.52	-75.75
CC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512378	0	49	0.0	-75.25	392.80	2.20	-73.05
CC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512378	1	49	0.0	-75.23	392.79	2.19	-73.04
CC[N@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025512388	0	53	0.0	-71.89	423.67	3.55	-68.34
CC[N@@H+](CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025512388	1	53	0.0	-72.67	421.46	3.49	-69.18
CC[NH+](CC)CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512394	0	55	0.0	-66.45	422.20	3.86	-62.59
CC1(C)C[NH+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025512402	1	53	0.0	-75.70	425.62	3.11	-72.59
C[NH+](C)CC=CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512409	0	50	0.0	-79.47	412.29	2.78	-76.69
COCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512418	1	53	0.0	-75.46	425.19	1.36	-74.10
COCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512418	1	53	0.0	-76.69	425.40	1.36	-75.33
CC(CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025512427	0	55	0.0	-66.40	427.31	4.16	-62.24
CC[N@@H+]1CCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512431	1	50	0.0	-74.78	406.74	2.50	-72.28
CC[N@H+]1CCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512431	1	50	0.0	-73.38	399.81	2.18	-71.20
C=CCC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025512456	0	53	0.0	-73.69	423.25	3.19	-70.50
O=C(C[NH+]1CC2CC2C1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512464	0	51	0.0	-75.67	409.79	3.36	-72.31
CCCC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025512470	0	55	0.0	-72.99	426.82	3.30	-69.69
C[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512472	0	52	0.0	-78.43	402.57	2.68	-75.75
C[N@@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512482	0	53	0.0	-64.05	408.41	3.79	-60.26
C[N@H+]1CCCCC1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512482	1	53	0.0	-63.57	409.31	3.95	-59.62
C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025512519	0	50	0.0	-79.33	398.22	2.73	-76.60
O=C(CC[NH+]1CCCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512520	0	53	0.0	-76.43	422.54	3.17	-73.26
C[N@@H+]1CC2CC1(C(=O)N[C@@H]1C[C@H]3[C@@H]1CCN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025512530	0	51	0.0	-77.82	407.10	2.72	-75.10
C[N@H+]1CC2CC1(C(=O)N[C@@H]1C[C@H]3[C@@H]1CCN3C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025512530	1	51	0.0	-78.47	407.55	2.63	-75.84
CC(C[NH+](C)C)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512566	0	52	0.0	-76.15	413.49	2.78	-73.37
CC(C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025512589	1	53	0.0	-72.72	424.22	3.20	-69.52
CC1CC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512590	1	50	0.0	-74.11	406.55	2.62	-71.49
CC1CC[N@H+]1CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512590	1	50	0.0	-74.42	406.54	2.61	-71.81
C[NH+](C)CC(O)CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512592	0	53	0.0	-80.03	427.55	0.56	-79.47
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025512622	0	53	0.0	-66.42	418.33	3.98	-62.44
CC(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025512623	0	55	0.0	-75.85	435.14	3.40	-72.45
C[N@@H+]1CCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025512793	0	50	0.0	-73.07	393.90	1.96	-71.11
C[N@H+]1CCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025512793	1	50	0.0	-72.01	393.63	1.95	-70.06
C[N@@H+]1CCC(CC(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025512967	0	53	0.0	-66.93	415.01	3.81	-63.12
C[N@H+]1CCC(CC(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025512967	1	53	0.0	-68.50	416.49	4.02	-64.48
CCC(C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025512970	0	52	0.0	-72.75	404.01	2.46	-70.29
C[NH+](C)CCCCC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025512979	0	55	0.0	-76.81	440.41	3.63	-73.18
CCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025512984	0	55	0.0	-76.49	436.82	3.48	-73.01
CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025512984	1	55	0.0	-76.49	436.69	3.46	-73.03
CCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025512985	0	52	0.0	-73.69	414.28	2.89	-70.80
CCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025512985	1	52	0.0	-73.69	414.31	2.89	-70.80
C[NH+](C)CC1(C(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC1	REAL300025513015	0	53	0.0	-74.42	422.53	3.02	-71.40
CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513020	0	52	0.0	-75.71	415.19	2.73	-72.98
CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513020	1	52	0.0	-75.70	415.19	2.72	-72.98
C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC1	REAL300025513036	0	53	0.0	-73.91	418.54	3.00	-70.91
CC1CCC[N@@H+]1CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513077	0	53	0.0	-70.06	413.80	2.85	-67.21
CC1CCC[N@H+]1CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513077	1	53	0.0	-70.17	413.98	2.84	-67.33
CC1CC[N@H+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025513092	0	53	0.0	-72.98	420.29	3.22	-69.76
CC1CC[N@@H+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025513092	1	53	0.0	-73.01	420.45	3.24	-69.77
CC[C@@H](C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025513094	0	52	0.0	-70.18	403.02	2.35	-67.83
CC1=[NH+]C=CN1CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513129	1	48	0.0	-62.83	398.11	3.77	-59.06
CC1=C[NH+]=CN1CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513144	1	48	0.0	-65.01	398.48	4.51	-60.50
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC[N@@H+]1C	REAL300025513145	0	53	0.0	-67.09	404.55	3.31	-63.78
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC[N@H+]1C	REAL300025513145	1	53	0.0	-74.52	415.66	2.98	-71.54
C[N@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CCC1	REAL300025513169	0	53	0.0	-71.51	421.31	3.46	-68.05
C[N@@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CCC1	REAL300025513169	1	53	0.0	-71.55	421.22	3.44	-68.11
C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC1	REAL300025513176	0	53	0.0	-73.91	418.54	3.00	-70.91
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513186	0	50	0.0	-73.04	393.84	1.98	-71.06
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513186	1	50	0.0	-70.82	395.58	2.26	-68.56
CC1C(C(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC[N@@H+]1C	REAL300025513246	0	53	0.0	-75.44	415.73	3.02	-72.42
CC1C(C(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)CC[N@H+]1C	REAL300025513246	1	53	0.0	-76.26	411.72	2.69	-73.57
C[C@@H](C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025513280	0	49	0.0	-71.91	391.57	1.80	-70.11
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CC[NH+]1CCCC1	REAL300025513298	0	53	0.0	-75.14	423.41	3.23	-71.91
C[N@H+](CCO)CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513303	1	50	0.0	-74.13	403.17	-1.09	-75.22
C[N@@H+](CCO)CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513303	1	50	0.0	-74.18	402.88	-1.07	-75.25
CC1C[NH+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025513345	1	50	0.0	-74.35	405.41	2.63	-71.72
CC[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513371	0	49	0.0	-73.32	392.78	2.15	-71.17
CC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513371	1	49	0.0	-73.30	392.81	2.15	-71.15
COCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513415	1	53	0.0	-74.10	425.16	1.31	-72.79
COCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513415	1	53	0.0	-74.38	425.42	1.31	-73.07
CC(CCC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025513417	0	55	0.0	-74.12	432.54	3.23	-70.89
CC[N@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CC1	REAL300025513421	0	53	0.0	-62.15	417.62	4.22	-57.93
CC[N@@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CC1	REAL300025513421	1	53	0.0	-62.72	414.86	4.20	-58.52
CC(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513440	0	52	0.0	-77.63	401.67	3.18	-74.45
C[C@H](C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025513452	0	49	0.0	-64.26	386.15	2.62	-61.64
CC[N@@H+]1CCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513455	0	50	0.0	-63.19	392.70	2.87	-60.32
CC[N@H+]1CCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513455	1	50	0.0	-64.29	400.07	3.11	-61.18
NC1=CC=[NH+]C=C1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513469	0	46	0.0	-75.87	383.52	-0.57	-76.44
CCCC(C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025513473	0	55	0.0	-70.88	424.00	3.13	-67.75
CC(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513483	0	55	0.0	-66.38	428.67	3.94	-62.44
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CC2CC2C1	REAL300025513540	0	51	0.0	-73.59	409.90	3.31	-70.28
C[N@@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513549	0	53	0.0	-69.81	415.68	2.99	-66.82
C[N@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513549	1	53	0.0	-73.46	407.80	2.71	-70.75
C[N@@H+]1CCC(=CC(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025513571	0	51	0.0	-77.67	412.41	3.02	-74.65
C[N@H+]1CCC(=CC(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025513571	1	51	0.0	-77.66	413.24	3.01	-74.65
[N-]=[N+]=NCC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NC(=O)NN3)C[C@@H]21	REAL300025513576	0	40	0.0	-22.89	347.02	-2.00	-24.89
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513589	0	50	0.0	-69.95	396.43	2.23	-67.72
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513589	1	50	0.0	-63.73	387.37	2.66	-61.07
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025513628	0	53	0.0	-74.40	424.68	3.22	-71.18
C[NH+](C)CCOCC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513645	0	53	0.0	-74.37	430.92	2.60	-71.77
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CCCCC1	REAL300025513670	0	53	0.0	-73.05	416.76	3.33	-69.72
C[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025513671	0	53	0.0	-70.34	410.97	3.12	-67.22
C[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025513671	1	53	0.0	-75.53	418.72	2.94	-72.59
CN1C=C[N+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)=C1	REAL300025513672	0	48	0.0	-71.62	406.46	4.98	-66.64
C[N@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CC1	REAL300025513681	0	50	0.0	-63.04	398.00	3.59	-59.45
C[N@@H+](CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C1CC1	REAL300025513681	1	50	0.0	-63.31	398.14	3.59	-59.72
CC(CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)C[NH+](C)C	REAL300025513689	0	55	0.0	-76.13	432.23	3.51	-72.62
C[NH+]1CC(CC(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025513730	0	50	0.0	-75.22	406.46	2.31	-72.91
C[NH+](C)CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513737	0	46	0.0	-74.13	375.05	1.46	-72.67
C[N@H+](CCO)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513747	0	53	0.0	-75.63	425.67	-0.50	-76.13
C[N@@H+](CCO)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513747	1	53	0.0	-74.83	425.49	-0.50	-75.33
C[C@@H](C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025513748	0	49	0.0	-71.91	391.57	1.80	-70.11
CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+]1CC(C)C1	REAL300025513758	0	53	0.0	-71.82	423.65	2.91	-68.91
CC1CC[N@@H+]1CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513759	0	50	0.0	-71.52	400.83	2.26	-69.26
CC1CC[N@H+]1CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513759	1	50	0.0	-64.22	395.81	3.18	-61.04
C[NH+](C)CC=CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513760	0	50	0.0	-78.35	410.23	2.66	-75.69
CC1(C)C[NH+](CC(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)C1	REAL300025513763	1	53	0.0	-73.95	425.60	3.04	-70.91
CC[NH+](CC)CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513779	0	52	0.0	-72.01	411.07	2.83	-69.18
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CCC1	REAL300025513784	1	47	0.0	-73.98	385.16	1.91	-72.07
CC[NH+](CC)CCC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513800	0	55	0.0	-74.92	428.51	3.11	-71.81
CC(C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+]1CCC1	REAL300025513822	0	50	0.0	-72.07	402.49	2.33	-69.74
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513841	0	53	0.0	-62.98	397.19	3.27	-59.71
C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513841	1	53	0.0	-70.53	415.49	3.02	-67.51
C[NH+](C)CC(O)CC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300025513848	0	53	0.0	-79.27	427.55	0.55	-78.72
C=CCC(C(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21)[NH+](C)C	REAL300025513860	0	53	0.0	-69.13	414.55	2.79	-66.34
NC(=[NH2+])SCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025513880	0	44	0.0	-77.15	382.97	-1.53	-78.68
CCC1C[NH+](CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025513940	1	53	0.0	-67.65	421.23	4.09	-63.56
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025513944	0	50	0.0	-63.95	394.98	3.24	-60.71
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025513944	1	50	0.0	-66.55	385.45	2.92	-63.63
O=C(C[NH+]1CCCCC1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300025513951	0	53	0.0	-75.14	416.82	3.39	-71.75
CC1C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025513955	0	53	0.0	-73.27	421.18	3.10	-70.17
CC1C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025513955	1	53	0.0	-64.77	409.95	3.46	-61.31
C[N@@H+]1CCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514163	0	47	0.0	-74.60	383.93	1.52	-73.08
C[N@H+]1CCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514163	1	47	0.0	-70.91	390.36	2.06	-68.85
C[N@@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025514187	1	48	0.0	-88.93	401.33	1.42	-87.51
C[N@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025514187	1	48	0.0	-82.15	399.07	1.29	-80.86
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514332	0	53	0.0	-68.33	422.18	3.03	-65.30
CC(C)[N@H+]1CCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514332	1	53	0.0	-68.37	420.56	2.98	-65.39
CC1=[NH+]C=CN1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514355	1	45	0.0	-69.79	391.34	2.47	-67.32
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3C[NH+]4CCC3CC4)[C@@H]21	REAL300025514375	0	51	0.0	-83.73	405.44	2.79	-80.94
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC[N@@H+]1C	REAL300025514401	0	50	0.0	-75.27	398.33	1.82	-73.45
C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC[N@H+]1C	REAL300025514401	1	50	0.0	-72.20	403.87	2.36	-69.84
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC[N@@H+]1C	REAL300025514403	0	53	0.0	-75.11	420.67	2.69	-72.42
CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC[N@H+]1C	REAL300025514403	1	53	0.0	-70.50	422.46	3.12	-67.38
CC[N@@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025514407	1	51	0.0	-86.98	419.10	2.07	-84.91
CC[N@H+]1CCOC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025514407	1	51	0.0	-78.50	409.92	1.77	-76.73
CC1CCC(C)[NH+]1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514446	0	53	0.0	-68.93	418.68	2.74	-66.19
O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514449	0	53	0.0	-73.73	430.59	3.32	-70.41
O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514451	0	53	0.0	-74.97	427.98	3.40	-71.57
C[N@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)C1CCC1	REAL300025514484	0	50	0.0	-71.28	410.02	2.96	-68.32
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)C1CCC1	REAL300025514484	1	50	0.0	-71.07	410.32	2.96	-68.11
C[N@@H+]1CCCC1CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514539	0	53	0.0	-74.97	429.35	3.38	-71.59
C[N@H+]1CCCC1CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514539	1	53	0.0	-72.50	429.92	3.21	-69.29
C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC1	REAL300025514552	0	50	0.0	-78.16	406.30	2.52	-75.64
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=CN4C=[NH+]C=C4C=C3)[C@@H]21	REAL300025514616	0	45	0.0	-76.14	394.13	4.49	-71.65
O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514622	1	51	0.0	-77.04	416.97	0.85	-76.19
CC1=C[NH+]=CN1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514633	1	45	0.0	-70.99	391.67	3.20	-67.79
C[N@@H+]1CCC(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025514652	0	50	0.0	-75.03	408.77	2.46	-72.57
C[N@H+]1CCC(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025514652	1	50	0.0	-76.66	410.66	2.59	-74.07
CCC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)[NH+](C)C	REAL300025514659	0	49	0.0	-72.52	394.40	2.00	-70.52
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC4=C[NH+]=CN4C=C3)[C@@H]21	REAL300025514676	1	45	0.0	-82.02	394.40	4.49	-77.53
C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514699	0	52	0.0	-75.73	427.07	2.99	-72.74
CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514710	0	52	0.0	-75.15	423.44	2.82	-72.33
CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514710	1	52	0.0	-75.27	423.44	2.81	-72.46
CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514712	0	49	0.0	-73.37	403.15	2.39	-70.98
CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514712	1	49	0.0	-72.85	401.07	2.27	-70.58
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C34CC[N@H+](C3)CCC4)[C@@H]21	REAL300025514722	0	51	0.0	-76.90	406.25	2.17	-74.73
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C34CC[N@@H+](C3)CCC4)[C@@H]21	REAL300025514722	1	51	0.0	-79.46	402.93	2.19	-77.27
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514743	0	47	0.0	-73.51	381.92	1.39	-72.12
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514743	1	47	0.0	-71.00	389.03	2.03	-68.97
CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514768	0	49	0.0	-70.93	392.94	1.94	-68.99
CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC1	REAL300025514814	0	53	0.0	-73.48	424.66	3.34	-70.14
C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC1	REAL300025514829	0	50	0.0	-85.38	411.15	2.86	-82.52
C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC1	REAL300025514867	0	50	0.0	-78.16	406.30	2.52	-75.64
CCC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)[NH+](CC)CC	REAL300025514893	0	55	0.0	-66.86	426.53	3.01	-63.85
CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514922	0	49	0.0	-74.39	401.94	2.06	-72.33
CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514922	1	49	0.0	-74.49	401.94	2.06	-72.43
CC1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514943	0	50	0.0	-69.78	407.70	2.50	-67.28
CC1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514943	1	50	0.0	-69.50	400.38	2.22	-67.28
CC1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025514944	0	50	0.0	-72.54	410.01	2.72	-69.82
CC1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025514944	1	50	0.0	-72.85	409.32	2.74	-70.11
CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025514946	0	53	0.0	-72.49	428.92	3.22	-69.27
CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025514946	1	53	0.0	-73.24	429.78	3.23	-70.01
C[N@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)CC(C)(C)C	REAL300025514947	0	55	0.0	-73.06	429.54	3.25	-69.81
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)CC(C)(C)C	REAL300025514947	1	55	0.0	-72.39	431.98	3.43	-68.96
CC[C@@H](C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)[NH+](C)C	REAL300025514953	0	49	0.0	-68.90	394.58	1.99	-66.91
C[NH+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515025	0	43	0.0	-73.78	363.89	0.96	-72.82
O=C(C[NH+]1CCCCCC1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515028	0	53	0.0	-72.81	412.67	2.90	-69.91
CN1C=C[N+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)=C1	REAL300025515031	0	45	0.0	-70.55	395.20	4.49	-66.06
C[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025515034	0	50	0.0	-67.78	402.75	2.78	-65.00
C[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025515034	1	50	0.0	-65.84	400.17	2.68	-63.16
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3CCC[N@@H+]3C3CC3)[C@@H]21	REAL300025515038	0	51	0.0	-71.56	414.97	2.97	-68.59
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3CCC[N@H+]3C3CC3)[C@@H]21	REAL300025515038	1	51	0.0	-73.50	414.39	2.84	-70.66
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)[NH+]1CCC1	REAL300025515048	1	47	0.0	-72.02	391.85	1.78	-70.24
CCC(CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)C[NH+](C)C	REAL300025515052	0	55	0.0	-74.61	432.88	3.33	-71.28
O=C(C[NH+]1CCC(O)CC1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515066	1	51	0.0	-77.59	414.90	-0.62	-78.21
C[N@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)C1CC1	REAL300025515067	0	47	0.0	-70.45	393.24	2.38	-68.07
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)C1CC1	REAL300025515067	1	47	0.0	-70.72	393.48	2.40	-68.32
C[NH+]1CC(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025515079	0	47	0.0	-73.28	393.31	1.70	-71.58
CC(C)(C)[N@@H+]1CCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515088	0	53	0.0	-69.84	405.61	2.41	-67.43
CC(C)(C)[N@H+]1CCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515088	1	53	0.0	-68.82	423.25	2.59	-66.23
C[C@@H](C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)[NH+](C)C	REAL300025515099	0	46	0.0	-70.22	379.95	1.26	-68.96
[N-]=[N+]=NCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NC(=O)NN3)[C@H]21	REAL300025515106	0	37	0.0	-24.65	338.67	-3.56	-28.21
[NH2+]=C1SC=CN1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515143	0	43	0.0	-69.62	388.98	1.03	-68.59
C[N@H+](CCO)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515148	0	50	0.0	-76.10	414.37	-1.02	-77.12
C[N@@H+](CCO)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515148	1	50	0.0	-73.54	412.27	-1.17	-74.71
C[C@@H](C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)[NH+](C)C	REAL300025515149	0	46	0.0	-70.22	379.95	1.26	-68.96
C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515152	0	50	0.0	-71.61	394.47	2.27	-69.34
C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515152	1	50	0.0	-70.68	403.70	2.45	-68.23
O=C(C[NH+]1CCC1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515193	1	44	0.0	-72.94	372.02	1.32	-71.62
C[N@@H+]1CCC(=CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025515206	0	48	0.0	-78.10	403.12	2.53	-75.57
C[N@H+]1CCC(=CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025515206	1	48	0.0	-76.82	400.59	2.38	-74.44
C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515223	0	50	0.0	-73.96	417.72	1.90	-72.06
C=CCC(C)(C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)[NH+](C)C	REAL300025515234	0	53	0.0	-65.74	417.91	2.94	-62.80
CC1CN(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025515264	0	47	0.0	-73.04	393.21	1.97	-71.07
CC1C[NH+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025515264	1	47	0.0	-73.04	393.21	1.97	-71.07
CN(CCO)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515281	0	47	0.0	-73.07	389.93	-1.72	-74.79
C[N@H+](CCO)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515281	1	47	0.0	-74.54	391.79	-1.59	-76.13
C[N@@H+](CCO)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515281	1	47	0.0	-74.54	391.79	-1.59	-76.13
CC[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025515297	0	53	0.0	-65.72	417.71	3.32	-62.40
CC[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025515297	1	53	0.0	-65.72	417.71	3.32	-62.40
CC(CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)C[NH+](C)C	REAL300025515299	0	52	0.0	-75.41	418.89	2.85	-72.56
CC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515302	0	46	0.0	-73.05	381.65	1.64	-71.41
CC[N@H+](CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)C1CC1	REAL300025515326	0	50	0.0	-70.15	407.75	2.86	-67.29
CC[NH+](CC)CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515334	0	52	0.0	-74.04	415.30	2.49	-71.55
CC1(O)CC[N@H+](CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025515365	0	51	0.0	-73.29	420.10	-0.64	-73.93
C[NH+](C)CC=CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515367	0	47	0.0	-76.60	397.87	2.07	-74.53
CC(OCC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515373	0	53	0.0	-75.74	438.82	2.77	-72.97
C[NH+](C)CCOCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515379	0	53	0.0	-75.30	440.74	1.78	-73.52
COCCN(C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515380	0	50	0.0	-74.47	414.04	0.81	-73.66
COCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515380	1	50	0.0	-73.28	412.18	0.69	-72.59
COCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515380	1	50	0.0	-73.28	412.18	0.69	-72.59
CC(CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)[NH+](C)C	REAL300025515396	0	52	0.0	-77.52	415.05	2.58	-74.94
CCN1CCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515402	0	47	0.0	-71.44	388.10	1.85	-69.59
CC[N@@H+]1CCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515402	1	47	0.0	-70.09	386.51	1.52	-68.57
CC[N@H+]1CCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515402	1	47	0.0	-70.09	386.51	1.52	-68.57
O=C(C[N@H+]1CCCC1CO)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515412	0	51	0.0	-72.20	413.72	-0.94	-73.14
C=CCC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)[NH+](C)C	REAL300025515442	0	50	0.0	-68.08	405.16	2.35	-65.73
C[N@@H+]1CC(C)(C)CC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515446	0	53	0.0	-69.70	424.45	2.59	-67.11
C[NH+](C)CCCCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515448	0	55	0.0	-75.04	448.57	3.76	-71.28
CCCC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)[NH+](C)C	REAL300025515465	0	52	0.0	-70.62	419.23	3.35	-67.27
C[N@@H+]1CCCCC1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515487	0	50	0.0	-70.70	403.89	2.45	-68.25
C[N@H+]1CC=C(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC1	REAL300025515506	0	51	0.0	-70.94	423.37	3.29	-67.65
C[N@@H+]1CC=C(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC1	REAL300025515506	1	51	0.0	-70.94	423.37	3.29	-67.65
O=C(C=CC[NH+]1CCCC1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515533	0	51	0.0	-77.93	426.28	3.40	-74.53
O=C(CC[NH+]1CCCC1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515556	0	50	0.0	-74.14	409.03	2.50	-71.64
O=C(C[N@@H+]1CC2CCC1C2)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515582	0	51	0.0	-70.07	408.44	2.86	-67.21
O=C(C[N@H+]1CC2CCC1C2)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515582	1	51	0.0	-70.07	408.44	2.86	-67.21
O=C(CN1CC2C=CC1C2)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515616	0	49	0.0	-71.68	403.75	2.97	-68.71
O=C(C[N@@H+]1CC2C=CC1C2)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515616	1	49	0.0	-68.68	400.88	2.73	-65.95
O=C(C[N@H+]1CC2C=CC1C2)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515616	1	49	0.0	-68.68	400.88	2.73	-65.95
CC(C[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515639	0	49	0.0	-75.33	402.30	2.24	-73.09
C[N@@H+]1CCCCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515675	0	53	0.0	-67.93	415.73	3.03	-64.90
C[N@H+]1CCCCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515675	1	53	0.0	-67.93	415.73	3.03	-64.90
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)N1CC(C)C1	REAL300025515683	0	50	0.0	-70.36	410.57	2.52	-67.84
CC(C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21)[NH+]1CC(C)C1	REAL300025515683	1	50	0.0	-70.36	410.57	2.52	-67.84
CC1CCN1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515685	0	47	0.0	-71.42	389.77	1.79	-69.63
CC1CC[N@@H+]1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515685	1	47	0.0	-70.50	387.52	1.66	-68.84
CC1CC[N@H+]1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515685	1	47	0.0	-70.50	387.52	1.66	-68.84
C[NH+](C)CC(O)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515686	0	50	0.0	-80.00	416.37	-0.01	-80.01
CC1CN(C)CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)O1	REAL300025515700	0	51	0.0	-86.47	413.15	1.59	-84.88
CC1C[N@H+](C)CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)O1	REAL300025515700	1	51	0.0	-87.15	415.52	1.73	-85.42
CC1C[N@@H+](C)CC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)O1	REAL300025515700	1	51	0.0	-87.15	415.52	1.73	-85.42
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)C1	REAL300025515736	0	50	0.0	-73.98	413.76	2.70	-71.28
CC(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515740	0	52	0.0	-74.06	421.74	2.75	-71.31
CN1CCN(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC1	REAL300025515753	0	52	0.0	-72.31	420.86	0.36	-71.95
C[NH+]1CCN(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC1	REAL300025515753	1	52	0.0	-72.31	420.86	0.36	-71.95
C[N@@H+]1CCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025515922	0	47	0.0	-70.58	382.27	1.45	-69.13
C[N@H+]1CCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025515922	1	47	0.0	-70.58	382.27	1.45	-69.13
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)CCN3CCOCC3)[C@H]21	REAL300025516096	0	51	0.0	-78.48	419.16	0.95	-77.53
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@H]21	REAL300025516096	1	51	0.0	-78.48	419.16	0.95	-77.53
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC4=CN=CN4C=C3)[C@H]21	REAL300025516105	0	45	0.0	-78.15	396.90	4.20	-73.95
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)[C@H]21	REAL300025516105	1	45	0.0	-78.15	396.90	4.20	-73.95
C[N@@H+]1CCC(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025516126	0	50	0.0	-75.98	411.04	2.56	-73.42
C[N@H+]1CCC(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025516126	1	50	0.0	-75.98	411.04	2.56	-73.42
CCC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)[NH+](C)C	REAL300025516133	0	49	0.0	-71.05	395.94	2.02	-69.03
C[NH+](C)CCCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516164	0	52	0.0	-77.44	429.25	3.08	-74.36
CCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516177	0	52	0.0	-76.37	425.49	2.91	-73.46
CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516177	1	52	0.0	-76.48	425.49	2.88	-73.60
CCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516179	0	49	0.0	-73.14	403.15	2.33	-70.81
CCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516179	1	49	0.0	-73.03	403.18	2.35	-70.68
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C34CC[N@H+](C3)CCC4)[C@H]21	REAL300025516189	0	51	0.0	-79.46	396.64	1.79	-77.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C34CC[N@@H+](C3)CCC4)[C@H]21	REAL300025516189	1	51	0.0	-74.31	396.21	1.63	-72.68
CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC1	REAL300025516215	0	53	0.0	-73.76	427.19	3.43	-70.33
C[NH+](C)CC1(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC1	REAL300025516244	0	50	0.0	-71.39	408.33	2.32	-69.07
CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516259	0	49	0.0	-75.67	403.99	2.16	-73.51
CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516259	1	49	0.0	-75.65	403.99	2.14	-73.51
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3C[NH+]4CCC3CC4)[C@H]21	REAL300025516270	0	51	0.0	-79.07	401.02	2.48	-76.59
C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC1	REAL300025516303	0	50	0.0	-70.41	409.38	2.49	-67.92
CCC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)[NH+](CC)CC	REAL300025516382	0	55	0.0	-68.53	422.89	3.24	-65.29
CC1CCC[N@@H+]1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516390	0	50	0.0	-69.40	402.61	2.29	-67.11
CC1CCC[N@H+]1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516390	1	50	0.0	-70.19	408.90	2.61	-67.58
CC(C)[N@@H+]1CCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516424	0	53	0.0	-70.00	411.84	3.03	-66.97
CC(C)[N@H+]1CCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516424	1	53	0.0	-69.97	411.19	3.07	-66.90
CC1CC[N@H+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025516441	0	50	0.0	-71.68	410.33	2.58	-69.10
CC1CC[N@@H+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025516441	1	50	0.0	-71.91	409.54	2.59	-69.32
CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025516443	0	53	0.0	-72.20	428.92	3.18	-69.02
CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025516443	1	53	0.0	-72.23	428.84	3.17	-69.06
C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)CC(C)(C)C	REAL300025516444	0	55	0.0	-73.26	431.75	3.34	-69.92
C[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)CC(C)(C)C	REAL300025516444	1	55	0.0	-72.69	433.55	3.42	-69.27
CC[C@@H](C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)[NH+](C)C	REAL300025516450	0	49	0.0	-67.82	389.74	1.73	-66.09
CC1=[NH+]C=CN1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516531	1	45	0.0	-70.23	392.49	2.51	-67.72
CC[N@@H+]1CCOC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025516574	1	51	0.0	-86.66	415.12	1.85	-84.81
CC[N@H+]1CCOC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025516574	1	51	0.0	-79.70	408.39	1.67	-78.03
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)[C@H]21	REAL300025516591	0	45	0.0	-74.82	396.82	4.18	-70.64
CC1=C[NH+]=CN1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516594	1	45	0.0	-71.38	393.65	3.26	-68.12
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC[N@@H+]1C	REAL300025516598	0	50	0.0	-73.04	397.71	2.11	-70.93
C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC[N@H+]1C	REAL300025516598	1	50	0.0	-76.76	406.48	2.16	-74.60
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC[N@@H+]1C	REAL300025516600	0	53	0.0	-75.90	422.22	2.54	-73.36
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC[N@H+]1C	REAL300025516600	1	53	0.0	-74.70	423.28	2.80	-71.90
CC1CCC(C)[NH+]1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516605	0	53	0.0	-68.02	419.21	2.81	-65.21
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@H]21	REAL300025516608	0	53	0.0	-75.14	433.72	3.47	-71.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@H]21	REAL300025516611	0	53	0.0	-74.80	427.93	3.38	-71.42
C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)C1CCC1	REAL300025516681	0	50	0.0	-70.10	407.85	2.76	-67.34
C[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)C1CCC1	REAL300025516681	1	50	0.0	-70.84	410.19	2.90	-67.94
C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC1	REAL300025516704	0	50	0.0	-70.41	409.38	2.49	-67.92
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516724	0	47	0.0	-73.79	382.38	1.43	-72.36
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516724	1	47	0.0	-70.52	386.45	1.82	-68.70
C[N@@H+]1CCCC1CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516742	0	53	0.0	-73.87	425.88	2.97	-70.90
C[N@H+]1CCCC1CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516742	1	53	0.0	-77.09	425.31	3.18	-73.91
CC1C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC[N@@H+]1C	REAL300025516837	0	50	0.0	-72.98	397.74	2.11	-70.87
CC1C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC[N@H+]1C	REAL300025516837	1	50	0.0	-74.57	406.30	2.19	-72.38
CC(C)(C)[N@@H+]1CCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516878	0	53	0.0	-69.13	422.98	2.49	-66.64
CC(C)(C)[N@H+]1CCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516878	1	53	0.0	-69.26	403.66	1.76	-67.50
C[C@@H](C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)[NH+](C)C	REAL300025516892	0	46	0.0	-69.00	378.41	1.11	-67.89
C=CCC(C)(C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)[NH+](C)C	REAL300025516905	0	53	0.0	-79.12	411.81	2.75	-76.37
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)CC[NH+]3CCCC3)[C@H]21	REAL300025516919	0	50	0.0	-74.93	412.20	2.69	-72.24
C[N@H+](CCO)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516928	1	47	0.0	-73.56	392.03	-1.64	-75.20
C[N@@H+](CCO)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025516928	1	47	0.0	-74.17	391.80	-1.64	-75.81
C[N@H+]1CC=C(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC1	REAL300025516970	0	51	0.0	-72.26	423.08	3.27	-68.99
C[N@@H+]1CC=C(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC1	REAL300025516970	1	51	0.0	-70.01	420.92	3.13	-66.88
CC1C[NH+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025517009	1	47	0.0	-73.33	395.27	2.02	-71.31
CC[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025517013	0	53	0.0	-71.86	419.99	2.80	-69.06
CC[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025517013	1	53	0.0	-65.37	414.05	3.00	-62.37
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3CCC[N@@H+]3C3CC3)[C@H]21	REAL300025517023	0	51	0.0	-68.66	412.44	2.74	-65.92
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3CCC[N@H+]3C3CC3)[C@H]21	REAL300025517023	1	51	0.0	-67.99	413.04	3.06	-64.93
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C=CC[NH+]3CCCC3)[C@H]21	REAL300025517040	0	51	0.0	-78.42	424.50	3.29	-75.13
CC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517072	0	46	0.0	-72.78	381.66	1.60	-71.18
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)CN3CC4C=CC3C4)[C@H]21	REAL300025517100	0	49	0.0	-68.62	400.73	2.65	-65.97
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C[N@@H+]3CC4C=CC3C4)[C@H]21	REAL300025517100	1	49	0.0	-67.54	400.83	2.65	-64.89
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C[N@H+]3CC4C=CC3C4)[C@H]21	REAL300025517100	1	49	0.0	-67.54	400.83	2.65	-64.89
CC(OCC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517164	0	53	0.0	-75.41	434.91	2.47	-72.94
C[NH+](C)CCOCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517171	0	53	0.0	-74.68	440.72	1.73	-72.95
COCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517173	1	50	0.0	-74.05	414.04	0.75	-73.30
COCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517173	1	50	0.0	-73.82	414.28	0.77	-73.05
CC(CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)[NH+](C)C	REAL300025517176	0	52	0.0	-78.33	417.39	2.67	-75.66
C[NH+]1CCC(=CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC1	REAL300025517184	0	51	0.0	-75.10	414.28	3.06	-72.04
CC[N@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)C1CC1	REAL300025517189	0	50	0.0	-68.56	410.56	2.81	-65.75
CC[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)C1CC1	REAL300025517189	1	50	0.0	-70.38	410.43	2.90	-67.48
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C[N@@H+]3CC4CCC3C4)[C@H]21	REAL300025517217	0	51	0.0	-69.39	405.97	2.69	-66.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C[N@H+]3CC4CCC3C4)[C@H]21	REAL300025517217	1	51	0.0	-69.69	408.32	2.83	-66.86
CC(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517230	0	49	0.0	-72.76	401.83	2.00	-70.76
C[C@H](C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)[NH+](C)C	REAL300025517251	0	46	0.0	-71.06	378.30	1.15	-69.91
CC[N@@H+]1CCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517255	1	47	0.0	-71.33	392.70	1.75	-69.58
CC[N@H+]1CCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517255	1	47	0.0	-70.30	386.83	1.54	-68.76
CCC(C)(C)[NH2+]C(C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517262	0	55	0.0	-72.18	428.78	1.61	-70.57
NC1=CC=[NH+]C=C1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517284	0	43	0.0	-77.80	372.29	-1.13	-78.93
CCCC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)[NH+](C)C	REAL300025517291	0	52	0.0	-73.77	416.07	2.74	-71.03
CC(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517306	0	52	0.0	-66.16	425.68	2.71	-63.45
C[N@@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517351	0	53	0.0	-72.70	421.90	2.55	-70.15
C[N@H+]1CC(C)(C)CC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517351	1	53	0.0	-69.98	425.38	2.88	-67.10
C[NH+](C)CCCCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517353	0	55	0.0	-76.70	450.75	3.86	-72.84
C[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)CC1	REAL300025517360	1	52	0.0	-72.23	420.73	0.29	-71.94
CC1C[N@H+](C)CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)O1	REAL300025517401	1	51	0.0	-78.27	412.67	1.95	-76.32
CC1C[N@@H+](C)CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)O1	REAL300025517401	1	51	0.0	-86.17	411.62	1.58	-84.59
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C[NH+]3CC4CC4C3)[C@H]21	REAL300025517427	0	48	0.0	-73.23	398.95	2.72	-70.51
C[N@@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517442	0	50	0.0	-68.32	404.44	2.48	-65.84
C[N@H+]1CCCCC1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517442	1	50	0.0	-70.18	393.09	2.02	-68.16
C[N@@H+]1CCC(=CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025517491	0	48	0.0	-77.10	398.43	2.35	-74.75
C[N@H+]1CCC(=CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025517491	1	48	0.0	-78.78	400.67	2.50	-76.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)CNC3=CC=[NH+]C=C3)[C@H]21	REAL300025517493	0	46	0.0	-75.07	399.64	0.20	-74.87
[N-]=[N+]=NCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NC(=O)NN3)[C@@H]21	REAL300025517513	0	37	0.0	-27.24	341.18	-3.48	-30.72
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517547	0	47	0.0	-70.04	387.26	1.75	-68.29
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517547	1	47	0.0	-70.63	382.28	1.43	-69.20
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025517617	0	50	0.0	-73.78	413.33	2.64	-71.14
C[N@@H+]1CC=CCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517624	0	51	0.0	-64.57	410.12	2.94	-61.63
C[N@H+]1CC=CCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517624	1	51	0.0	-77.52	415.47	3.02	-74.50
C[NH+](C)CCOCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517652	0	50	0.0	-75.36	419.78	2.07	-73.29
[NH2+]=C1SC=CN1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517670	0	43	0.0	-66.94	388.82	0.98	-65.96
C[C@@H](OCC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517697	0	53	0.0	-72.11	433.39	2.37	-69.74
C[N@@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025517717	0	50	0.0	-61.84	398.82	2.50	-59.34
C[N@H+]1CCCC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025517717	1	50	0.0	-61.84	398.82	2.50	-59.34
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C[NH+]3CCCCCC3)[C@H]21	REAL300025517718	0	53	0.0	-71.49	412.67	2.84	-68.65
CN1C=C[N+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)=C1	REAL300025517721	0	45	0.0	-70.05	392.96	4.30	-65.75
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)CN3CCC(O)CC3)[C@H]21	REAL300025517737	0	51	0.0	-76.64	416.74	-0.55	-77.19
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C[NH+]3CCC(O)CC3)[C@H]21	REAL300025517737	1	51	0.0	-76.64	416.74	-0.55	-77.19
C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)C1CC1	REAL300025517738	0	47	0.0	-70.41	393.30	2.31	-68.10
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)CC[N@H+]3CCC(F)C3)[C@H]21	REAL300025517741	0	50	0.0	-77.76	414.98	2.54	-75.22
CC(CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)C[NH+](C)C	REAL300025517758	0	52	0.0	-76.51	418.84	2.81	-73.70
CN1CCOCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517777	0	51	0.0	-81.56	414.56	0.78	-80.78
C[N@@H+]1CCOCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517777	1	51	0.0	-78.57	412.01	0.63	-77.94
C[N@H+]1CCOCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517777	1	51	0.0	-78.57	412.01	0.63	-77.94
CC1(O)CC[N@H+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025517826	0	51	0.0	-72.99	420.28	-0.66	-73.65
C[NH+]1CC(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025517848	0	47	0.0	-74.49	395.04	1.69	-72.80
C[N@H+](CCO)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517871	0	50	0.0	-74.68	414.33	-1.09	-75.77
C[N@@H+](CCO)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517871	1	50	0.0	-74.68	414.33	-1.09	-75.77
C[N@@H+]1CCCCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517882	0	53	0.0	-66.59	413.69	2.92	-63.67
C[N@H+]1CCCCC1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517882	1	53	0.0	-66.59	413.69	2.92	-63.67
CC1CCN1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517893	0	47	0.0	-71.02	390.04	1.77	-69.25
CC1CC[N@@H+]1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517893	1	47	0.0	-71.78	395.38	2.00	-69.78
CC1CC[N@H+]1CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517893	1	47	0.0	-71.78	395.38	2.00	-69.78
C[NH+](C)CC=CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517897	0	47	0.0	-79.71	400.37	2.13	-77.58
CC1(C)CN(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025517902	0	50	0.0	-72.10	412.38	2.39	-69.71
CC1(C)C[NH+](CC(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C1	REAL300025517902	1	50	0.0	-72.10	412.38	2.39	-69.71
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C[N@H+]3CCCC3CO)[C@H]21	REAL300025517934	0	51	0.0	-70.73	414.89	-0.60	-71.33
CC[NH+](CC)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517938	0	49	0.0	-71.31	394.97	1.97	-69.34
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)CN3CCC3)[C@H]21	REAL300025517947	0	44	0.0	-73.43	374.28	1.39	-72.04
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C[NH+]3CCC3)[C@H]21	REAL300025517947	1	44	0.0	-73.43	374.28	1.39	-72.04
CC[NH+](CC)CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025517969	0	52	0.0	-75.28	417.50	2.58	-72.70
CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)N1CCC1	REAL300025518009	0	47	0.0	-70.26	387.83	1.62	-68.64
CC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)[NH+]1CCC1	REAL300025518009	1	47	0.0	-70.26	387.83	1.62	-68.64
CCC(CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)C[NH+](C)C	REAL300025518014	0	55	0.0	-77.42	435.03	3.41	-74.01
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025518042	0	50	0.0	-69.28	402.21	2.35	-66.93
C[NH+](C)CC(O)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300025518060	0	50	0.0	-79.62	416.41	0.00	-79.62
C=CCC(C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21)[NH+](C)C	REAL300025518081	0	50	0.0	-73.64	409.10	2.50	-71.14
NC(=[NH2+])SCC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025518108	0	41	0.0	-74.99	369.77	-2.20	-77.19
C[N@@H+]1CC=CCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025518127	0	51	0.0	-77.99	415.44	3.03	-74.96
C[N@H+]1CC=CCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025518127	1	51	0.0	-77.99	415.44	3.03	-74.96
C[C@@H](OCC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025518137	0	53	0.0	-74.23	439.63	2.73	-71.50
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025518198	0	47	0.0	-70.14	390.16	2.01	-68.13
C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025518198	1	47	0.0	-70.08	381.76	1.41	-68.67
O=C(CC[N@H+]1CCC(F)C1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025518204	0	50	0.0	-79.49	416.10	2.68	-76.81
O=C(CC[N@@H+]1CCC(F)C1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025518204	1	50	0.0	-75.34	416.03	2.63	-72.71
O=C(C[NH+]1CCCCC1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025518217	0	50	0.0	-72.68	403.67	2.74	-69.94
CC1C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC[N@@H+]1C	REAL300025518222	0	50	0.0	-74.57	404.16	2.12	-72.45
CC1C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)CC[N@H+]1C	REAL300025518222	1	50	0.0	-72.21	403.89	2.37	-69.84
C[N@@H+]1CCOCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025518249	1	51	0.0	-79.80	412.36	0.66	-79.14
C[N@H+]1CCOCC1CC(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025518249	1	51	0.0	-80.95	414.57	0.79	-80.16
CCOCC(N=[N+]=[N-])C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NC(=O)NN3)[C@H]21	REAL300025518256	0	47	0.0	-25.90	417.15	-2.73	-28.63
C[NH+](C)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025518422	0	50	0.0	-76.14	396.97	2.84	-73.30
C[C@@H](C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025518428	0	53	0.0	-75.06	415.33	3.25	-71.81
[N-]=[N+]=NCC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)CSC1=NC(=O)NN1	REAL300025518431	0	44	0.0	-23.94	374.50	-1.57	-25.51
C[C@@H](C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025518438	0	53	0.0	-75.06	415.33	3.25	-71.81
O=C(C[NH+]1CCC1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025518445	1	51	0.0	-76.05	407.00	3.34	-72.71
C[C@H](C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025518450	0	53	0.0	-72.98	414.99	3.24	-69.74
CC[N@H+](C)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025518459	0	53	0.0	-75.67	415.12	3.51	-72.16
CC[N@@H+](C)CC(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300025518459	1	53	0.0	-75.79	415.13	3.52	-72.27
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025518599	0	53	0.0	-74.14	414.39	3.17	-70.97
CC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025518618	0	53	0.0	-65.45	414.38	3.46	-61.99
CC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025518618	1	53	0.0	-65.49	415.23	3.46	-62.03
C[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025518631	0	53	0.0	-63.36	413.53	3.11	-60.25
[N-]=[N+]=NCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)CSC1=NC(=O)NN1)C2	REAL300025518656	0	44	0.0	-22.92	373.66	-1.59	-24.51
C[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025518688	0	50	0.0	-66.33	396.70	2.80	-63.53
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025518691	0	53	0.0	-74.14	414.39	3.17	-70.97
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C[NH+]1CCC1	REAL300025518698	1	51	0.0	-65.89	407.64	3.26	-62.63
C[N@@H+]1CCCC1C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025518841	0	53	0.0	-66.05	406.79	2.62	-63.43
C[N@H+]1CCCC1C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025518841	1	53	0.0	-63.28	412.09	2.77	-60.51
CCC(C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025518935	0	55	0.0	-68.47	425.74	3.83	-64.64
CCC[N@H+](C)CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025518939	0	55	0.0	-69.87	426.53	3.43	-66.44
CCC[N@@H+](C)CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025518939	1	55	0.0	-70.07	426.52	3.43	-66.64
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025518945	0	53	0.0	-63.15	412.33	2.81	-60.34
C[N@H+]1CCC[C@@H]1C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025518945	1	53	0.0	-65.20	417.92	3.20	-62.00
CC[NH+](CC)CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025518948	0	55	0.0	-68.48	418.55	3.10	-65.38
CC[N@H+](C)CCC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025518990	0	55	0.0	-70.00	432.53	3.46	-66.54
CC[N@@H+](C)CCC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025518990	1	55	0.0	-72.40	427.39	3.23	-69.17
CC[C@@H](C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025518993	0	55	0.0	-64.13	425.41	3.45	-60.68
C[NH+](C)CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519008	0	49	0.0	-70.45	387.30	2.02	-68.43
CC(C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025519012	1	53	0.0	-66.64	414.52	3.09	-63.55
C[N@H+](CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025519019	0	53	0.0	-64.47	421.70	3.64	-60.83
C[N@@H+](CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025519019	1	53	0.0	-67.91	416.70	3.42	-64.49
C[NH+]1CC(CC(=O)NC2(C3CCCN3C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025519024	0	53	0.0	-71.34	423.88	3.06	-68.28
C[C@@H](C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025519031	0	52	0.0	-64.69	409.42	2.70	-61.99
[N-]=[N+]=NCC(=O)NC1(C2CCCN2C(=O)CSC2=NC(=O)NN2)CC1	REAL300025519034	0	43	0.0	-23.89	369.40	-2.17	-26.06
C[C@@H](C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025519050	0	52	0.0	-64.69	409.42	2.70	-61.99
O=C(C[NH+]1CCC1)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519066	1	50	0.0	-68.30	402.74	2.72	-65.58
C[C@H](C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025519074	0	52	0.0	-67.81	409.29	2.70	-65.11
CC1C[NH+](CC(=O)NC2(C3CCCN3C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025519081	1	53	0.0	-67.73	422.32	3.42	-64.31
C[N@H+](CCO)CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519091	1	53	0.0	-71.49	415.38	-0.55	-72.04
C[N@@H+](CCO)CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519091	1	53	0.0	-69.78	415.19	-0.55	-70.33
CC[N@H+](C)CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519096	0	52	0.0	-69.67	405.03	2.68	-66.99
CC[N@@H+](C)CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519096	1	52	0.0	-69.74	405.03	2.69	-67.05
C[NH+](C)CC=CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519111	0	53	0.0	-76.81	423.24	3.23	-73.58
CC[N@@H+]1CCC1C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519116	1	53	0.0	-64.55	417.42	2.87	-61.68
CC[N@H+]1CCC1C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519116	1	53	0.0	-67.19	423.91	3.23	-63.96
CC(C[NH+](C)C)C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519159	0	55	0.0	-70.62	430.51	3.49	-67.13
CC1CC[N@@H+]1CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519169	1	53	0.0	-66.03	417.89	3.08	-62.95
CC1CC[N@H+]1CC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519169	1	53	0.0	-68.12	413.08	2.84	-65.28
C[N@@H+]1CCCC1C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519281	0	53	0.0	-65.58	410.99	3.53	-62.05
C[N@H+]1CCCC1C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519281	1	53	0.0	-65.68	412.21	3.30	-62.38
CCC(C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025519355	0	55	0.0	-69.97	412.74	2.87	-67.10
CCC[N@H+](C)CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519358	0	55	0.0	-69.38	434.32	3.96	-65.42
CCC[N@@H+](C)CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519358	1	55	0.0	-69.19	434.40	3.96	-65.23
CC[N@H+](C)CCC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519374	0	55	0.0	-70.78	432.31	3.41	-67.37
CC[N@@H+](C)CCC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519374	1	55	0.0	-74.29	427.39	3.21	-71.08
CC[C@@H](C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025519400	0	55	0.0	-66.10	421.19	3.19	-62.91
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519437	0	53	0.0	-66.51	405.40	2.76	-63.75
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519437	1	53	0.0	-70.02	409.31	2.82	-67.20
C[C@@H](C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025519482	0	52	0.0	-65.68	408.38	2.50	-63.18
C[N@H+](CCO)CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519492	1	53	0.0	-73.59	415.38	-0.61	-74.20
C[N@@H+](CCO)CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519492	1	53	0.0	-72.59	414.92	-0.61	-73.20
CC1C[NH+](CC(=O)N2CCCC2C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025519508	1	53	0.0	-69.50	422.24	3.34	-66.16
CC[N@H+](C)CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519524	0	52	0.0	-68.98	412.90	3.23	-65.75
CC[N@@H+](C)CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519524	1	52	0.0	-68.76	412.82	3.22	-65.54
CC(C[NH+](C)C)C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519551	0	55	0.0	-68.50	419.96	3.00	-65.50
C[C@H](C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025519555	0	52	0.0	-68.90	409.02	2.55	-66.35
CC[N@@H+]1CCC1C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519558	1	53	0.0	-67.25	418.50	3.24	-64.01
CC[N@H+]1CCC1C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519558	1	53	0.0	-67.62	418.21	3.29	-64.33
[N-]=[N+]=NCC(=O)N1CCCC1C1(NC(=O)CSC2=NC(=O)NN2)CC1	REAL300025519608	0	43	0.0	-24.01	369.40	-2.22	-26.23
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519617	0	53	0.0	-65.62	417.22	3.43	-62.19
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519617	1	53	0.0	-65.66	412.32	3.28	-62.38
C[N@H+](CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025519647	0	53	0.0	-69.10	416.38	3.36	-65.74
C[N@@H+](CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025519647	1	53	0.0	-70.10	416.70	3.37	-66.73
C[NH+]1CC(CC(=O)N2CCCC2C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025519671	0	53	0.0	-72.39	418.74	2.81	-69.58
C[NH+](C)CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519674	0	49	0.0	-69.46	395.17	2.55	-66.91
C[C@@H](C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025519677	0	52	0.0	-65.68	408.38	2.50	-63.18
CC1CC[N@@H+]1CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519684	1	53	0.0	-67.07	418.00	2.99	-64.08
CC1CC[N@H+]1CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519684	1	53	0.0	-68.63	426.49	3.77	-64.86
C[NH+](C)CC=CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519685	0	53	0.0	-71.53	427.68	3.38	-68.15
CC[NH+](CC)CC(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519691	0	55	0.0	-68.13	430.89	3.90	-64.23
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCCN2C(=O)C[NH+]2CCC2)CC1	REAL300025519692	1	50	0.0	-69.33	405.47	3.03	-66.30
CC(C(=O)N1CCCC1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025519710	1	53	0.0	-65.56	418.35	3.04	-62.52
NC(=[NH2+])SCC(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519741	0	47	0.0	-73.04	395.22	-1.02	-74.06
C[N@@H+]1CCC[C@H]1C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519769	0	53	0.0	-65.12	419.94	3.41	-61.71
C[N@H+]1CCC[C@H]1C(=O)NC1(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025519769	1	53	0.0	-66.49	415.17	3.23	-63.26
C[NH+](C)CC(=O)N1CCC(C2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025519845	0	53	0.0	-75.53	426.29	0.37	-75.16
[N-]=[N+]=NCC(=O)N1CCC(C2(O)CN(C(=O)CSC3=NC(=O)NN3)C2)CC1	REAL300025519850	0	47	0.0	-27.21	403.25	-4.04	-31.25
[N-]=[N+]=NCC(=O)N1CC(O)(C2CCN(C(=O)CSC3=NC(=O)NN3)CC2)C1	REAL300025519909	0	47	0.0	-27.04	403.27	-3.94	-30.98
C[NH+](C)CC(=O)N1CC(O)(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025519916	0	53	0.0	-77.80	426.31	0.46	-77.34
C[N@@H+]1CCCC1C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520096	0	49	0.0	-70.68	393.64	1.23	-69.45
C[N@H+]1CCCC1C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520096	1	49	0.0	-67.64	399.64	1.71	-65.93
CC1=[NH+]C=CN1CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520223	1	47	0.0	-68.46	400.72	2.32	-66.14
CC1=C[NH+]=CN1CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520277	1	47	0.0	-71.40	400.92	3.06	-68.34
CCC(C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025520285	0	51	0.0	-67.27	402.10	1.83	-65.44
CCC[N@H+](C)CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520295	0	51	0.0	-69.82	410.38	2.12	-67.70
CCC[N@@H+](C)CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520295	1	51	0.0	-66.77	413.78	2.16	-64.61
C[N@@H+]1CCC[C@@H]1C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520304	0	49	0.0	-72.67	390.00	1.09	-71.58
C[N@H+]1CCC[C@@H]1C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520304	1	49	0.0	-68.00	399.92	1.74	-66.26
CC[NH+](CC)CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520310	0	51	0.0	-69.07	409.50	2.02	-67.05
CC[N@H+](C)CCC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520380	0	51	0.0	-71.81	413.58	1.89	-69.92
CC[N@@H+](C)CCC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520380	1	51	0.0	-75.78	410.17	1.87	-73.91
CC[C@@H](C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025520386	0	51	0.0	-70.44	402.77	1.62	-68.82
C[NH+](C)CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520411	0	45	0.0	-72.05	372.53	0.62	-71.43
CN1C=C[N+](CC(=O)NC2(CF)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025520412	0	47	0.0	-65.85	405.82	4.25	-61.60
CC(C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025520419	1	49	0.0	-74.01	399.78	1.64	-72.37
C[N@H+](CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025520427	0	49	0.0	-67.81	402.75	2.09	-65.72
C[N@@H+](CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025520427	1	49	0.0	-71.32	399.48	2.06	-69.26
C[NH+]1CC(CC(=O)NC2(CF)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025520435	0	49	0.0	-73.81	401.41	1.48	-72.33
C[C@@H](C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025520444	0	48	0.0	-68.17	391.79	1.07	-67.10
[N-]=[N+]=NCC(=O)NC1(CF)CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025520450	0	39	0.0	-29.70	346.94	-3.76	-33.46
C[C@@H](C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025520472	0	48	0.0	-68.17	391.79	1.07	-67.10
C[N@@H+]1CCC(=CC(=O)NC2(CF)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025520500	0	50	0.0	-77.42	407.95	2.22	-75.20
C[N@H+]1CCC(=CC(=O)NC2(CF)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025520500	1	50	0.0	-77.76	409.46	2.15	-75.61
C[C@H](C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025520512	0	48	0.0	-73.07	389.73	0.99	-72.08
C[N@H+](CCO)CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520533	1	49	0.0	-71.82	399.24	-1.87	-73.69
C[N@@H+](CCO)CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520533	1	49	0.0	-71.05	401.32	-1.87	-72.92
CC[N@H+](C)CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520543	0	48	0.0	-69.60	388.88	1.37	-68.23
CC[N@@H+](C)CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520543	1	48	0.0	-66.46	392.28	1.41	-65.05
C[NH+](C)CC=CC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520563	0	49	0.0	-73.85	409.63	1.89	-71.96
O=C(C[NH+]1CC2CC2C1)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520592	0	50	0.0	-74.01	404.62	2.49	-71.52
CC(C[NH+](C)C)C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520653	0	51	0.0	-70.48	411.55	2.02	-68.46
C[N@@H+]1CCCC1C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520829	0	49	0.0	-69.73	390.89	1.43	-68.30
C[N@H+]1CCCC1C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520829	1	49	0.0	-67.23	389.51	1.07	-66.16
CCC(C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025520973	0	51	0.0	-72.15	402.88	1.68	-70.47
CCC[N@H+](C)CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520982	0	51	0.0	-69.34	410.34	1.98	-67.36
CCC[N@@H+](C)CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025520982	1	51	0.0	-69.32	410.34	1.97	-67.35
CC[N@H+](C)CCC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521014	0	51	0.0	-70.86	411.21	1.81	-69.05
CC[N@@H+](C)CCC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521014	1	51	0.0	-72.97	413.22	1.90	-71.07
CC[C@@H](C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025521091	0	51	0.0	-66.84	404.65	1.75	-65.09
CC1=[NH+]C=CN1CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521122	1	47	0.0	-71.37	402.97	2.26	-69.11
CC1=C[NH+]=CN1CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521138	1	47	0.0	-75.49	403.32	2.99	-72.50
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521173	0	49	0.0	-66.12	391.14	1.04	-65.08
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521173	1	49	0.0	-69.84	391.03	1.42	-68.42
C[C@@H](C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025521267	0	48	0.0	-70.15	388.00	0.97	-69.18
C[N@H+](CCO)CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521285	1	49	0.0	-69.90	399.19	-2.01	-71.91
C[N@@H+](CCO)CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521285	1	49	0.0	-68.04	400.42	-1.99	-70.03
CC1C[NH+](CC(=O)N2CCC(CF)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025521319	1	49	0.0	-75.45	404.90	1.75	-73.70
CC[N@H+](C)CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521347	0	48	0.0	-68.99	388.84	1.23	-67.76
CC[N@@H+](C)CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521347	1	48	0.0	-68.78	388.75	1.23	-67.55
C[N@@H+]1CC2CC1(C(=O)N1CCC(CF)(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025521398	0	50	0.0	-68.86	398.27	1.67	-67.19
C[N@H+]1CC2CC1(C(=O)N1CCC(CF)(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025521398	1	50	0.0	-68.38	398.91	1.57	-66.81
CC(C[NH+](C)C)C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521406	0	51	0.0	-75.41	412.90	1.81	-73.60
C[NH+](C)C1(C(=O)N2CCC(CF)(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025521411	0	49	0.0	-72.64	392.68	1.38	-71.26
C[C@H](C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025521420	0	48	0.0	-69.63	389.64	1.02	-68.61
CC[N@@H+]1CCC1C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521423	1	49	0.0	-68.81	406.28	1.64	-67.17
CC[N@H+]1CCC1C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521423	1	49	0.0	-68.82	397.22	1.34	-67.48
NC1=CC=[NH+]C=C1C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521433	0	45	0.0	-70.28	380.28	-1.40	-71.68
C[NH+](C)C(C)(C)C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521438	0	51	0.0	-79.67	393.74	1.27	-78.40
O=C(CSC1=NNC(=O)[N-]1)NC1(CF)CCN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025521491	0	50	0.0	-69.05	406.58	2.45	-66.60
C[N@@H+]1CCC(=CC(=O)N2CCC(CF)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025521513	0	50	0.0	-82.79	409.42	2.18	-80.61
C[N@H+]1CCC(=CC(=O)N2CCC(CF)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025521513	1	50	0.0	-74.34	410.91	2.22	-72.12
[N-]=[N+]=NCC(=O)N1CCC(CF)(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025521519	0	39	0.0	-30.39	346.98	-3.80	-34.19
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521534	0	49	0.0	-69.44	390.79	1.46	-67.98
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521534	1	49	0.0	-67.26	389.54	1.07	-66.19
CN1C=C[N+](CC(=O)N2CCC(CF)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025521594	0	47	0.0	-67.00	402.34	4.07	-62.93
C[N@H+](CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025521602	0	49	0.0	-69.88	403.85	2.09	-67.79
C[N@@H+](CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025521602	1	49	0.0	-72.42	402.95	2.07	-70.35
C[NH+]1CC(CC(=O)N2CCC(CF)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025521645	0	49	0.0	-69.93	405.96	1.52	-68.41
C[NH+](C)CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521650	0	45	0.0	-69.39	371.04	0.54	-68.85
C[C@@H](C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025521656	0	48	0.0	-70.15	388.00	0.97	-69.18
CC1CC[N@@H+]1CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521669	1	49	0.0	-73.92	404.88	1.74	-72.18
CC1CC[N@H+]1CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521669	1	49	0.0	-71.79	400.35	1.52	-70.27
C[NH+](C)CC=CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521670	0	49	0.0	-84.78	406.30	1.82	-82.96
CC[NH+](CC)CC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521683	0	51	0.0	-70.58	406.01	2.00	-68.58
O=C(CSC1=NNC(=O)[N-]1)NC1(CF)CCN(C(=O)C[NH+]2CCC2)C1	REAL300025521688	1	46	0.0	-72.72	379.82	1.13	-71.59
CC(C(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025521723	1	49	0.0	-68.85	389.12	1.18	-67.67
NC(=[NH2+])SCC(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521774	0	43	0.0	-72.73	382.01	-2.45	-75.18
C[N@@H+]1CCC[C@H]1C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521816	0	49	0.0	-69.57	398.33	1.65	-67.92
C[N@H+]1CCC[C@H]1C(=O)NC1(CF)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025521816	1	49	0.0	-67.96	392.10	1.20	-66.76
C[N@@H+]1CCCC1C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025521954	0	53	0.0	-74.35	414.62	2.51	-71.84
C[N@H+]1CCCC1C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025521954	1	53	0.0	-74.59	419.41	2.65	-71.94
CCC(C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025522057	0	55	0.0	-73.95	431.70	3.29	-70.66
CCC[N@H+](C)CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522062	0	55	0.0	-74.55	434.14	3.38	-71.17
CCC[N@@H+](C)CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522062	1	55	0.0	-74.63	433.77	3.35	-71.28
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522070	0	53	0.0	-76.68	419.29	2.67	-74.01
C[N@H+]1CCC[C@@H]1C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522070	1	53	0.0	-73.29	424.35	3.18	-70.11
CC[NH+](CC)CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522075	0	55	0.0	-74.03	435.19	3.48	-70.55
CC[N@H+](C)CCC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522133	0	55	0.0	-78.47	439.19	3.34	-75.13
CC[N@@H+](C)CCC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522133	1	55	0.0	-78.37	439.19	3.34	-75.03
CC[C@@H](C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025522136	0	55	0.0	-71.69	429.74	3.14	-68.55
C[NH+](C)CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522154	0	49	0.0	-76.18	399.09	2.13	-74.05
CC(C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025522158	1	53	0.0	-71.78	423.02	2.99	-68.79
C[N@H+](CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025522165	0	53	0.0	-72.64	428.36	3.54	-69.10
C[N@@H+](CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025522165	1	53	0.0	-73.28	428.48	3.54	-69.74
C[NH+]1CC(CC(=O)NCC2CC3CCC2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025522171	0	53	0.0	-78.23	430.54	2.96	-75.27
C[C@@H](C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025522178	0	52	0.0	-75.34	417.20	2.52	-72.82
[N-]=[N+]=NCC(=O)NCC1CC2CCC1N2C(=O)CSC1=NC(=O)NN1	REAL300025522181	0	43	0.0	-27.26	376.04	-2.26	-29.52
C[C@@H](C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025522200	0	52	0.0	-75.34	417.20	2.52	-72.82
O=C(C[NH+]1CCC1)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522218	1	50	0.0	-76.42	409.19	2.55	-73.87
C[C@H](C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025522229	0	52	0.0	-73.97	417.24	2.54	-71.43
CC1C[NH+](CC(=O)NCC2CC3CCC2N3C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025522236	1	53	0.0	-77.17	429.17	3.28	-73.89
C[N@H+](CCO)CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522247	1	53	0.0	-75.15	422.62	-0.63	-75.78
C[N@@H+](CCO)CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522247	1	53	0.0	-74.42	422.99	-0.58	-75.00
CC[N@H+](C)CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522254	0	52	0.0	-74.12	412.64	2.63	-71.49
CC[N@@H+](C)CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522254	1	52	0.0	-74.16	412.27	2.61	-71.55
C[NH+](C)CC=CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522272	0	53	0.0	-82.33	435.06	3.34	-78.99
CC[N@@H+]1CCC1C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522278	1	53	0.0	-73.50	418.62	2.78	-70.72
CC[N@H+]1CCC1C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522278	1	53	0.0	-74.34	423.58	2.80	-71.54
C[NH+](C)C(C)(C)C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522292	0	55	0.0	-82.94	426.33	3.30	-79.64
C[NH+](C)C1(C(=O)NCC2CC3CCC2N3C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025522315	0	53	0.0	-83.18	422.14	3.39	-79.79
CC(C[NH+](C)C)C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522337	0	55	0.0	-77.99	437.50	3.40	-74.59
CC1CC[N@@H+]1CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522348	1	53	0.0	-72.24	420.63	2.73	-69.51
CC1CC[N@H+]1CC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025522348	1	53	0.0	-74.45	430.37	3.28	-71.17
C[N@@H+]1CCCC1C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522463	0	53	0.0	-72.17	411.93	2.47	-69.70
C[N@H+]1CCCC1C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522463	1	53	0.0	-67.59	416.55	2.57	-65.02
CCC(C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025522537	0	55	0.0	-67.87	428.35	3.03	-64.84
CCC[N@H+](C)CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522541	0	55	0.0	-70.11	438.22	3.55	-66.56
CCC[N@@H+](C)CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522541	1	55	0.0	-69.97	438.29	3.59	-66.38
CC[N@H+](C)CCC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522558	0	55	0.0	-73.09	439.17	3.34	-69.75
CC[N@@H+](C)CCC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522558	1	55	0.0	-73.00	439.39	3.33	-69.67
CC[C@@H](C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025522599	0	55	0.0	-69.43	422.41	2.74	-66.69
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522645	0	53	0.0	-72.23	412.84	2.45	-69.78
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522645	1	53	0.0	-68.32	420.45	2.91	-65.41
C[C@@H](C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025522700	0	52	0.0	-71.47	411.36	2.25	-69.22
C[N@H+](CCO)CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522710	1	53	0.0	-70.27	427.07	-0.44	-70.71
C[N@@H+](CCO)CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522710	1	53	0.0	-70.04	426.91	-0.39	-70.43
CC1C[NH+](CC(=O)N2C3CCC2C(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025522726	1	53	0.0	-73.29	425.89	3.02	-70.27
CC[N@H+](C)CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522744	0	52	0.0	-69.53	416.78	2.84	-66.69
CC[N@@H+](C)CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522744	1	52	0.0	-69.79	417.21	2.79	-67.00
CC(C[NH+](C)C)C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522777	0	55	0.0	-63.53	433.01	3.20	-60.33
C[NH+](C)C1(C(=O)N2C3CCC2C(CNC(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025522780	0	53	0.0	-76.50	418.87	2.68	-73.82
C[C@H](C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025522784	0	52	0.0	-71.66	411.46	2.27	-69.39
CC[N@@H+]1CCC1C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522787	0	53	0.0	-70.73	417.19	2.51	-68.22
CC[N@H+]1CCC1C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522787	1	53	0.0	-68.72	422.05	2.67	-66.05
C[NH+](C)C(C)(C)C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522796	0	55	0.0	-71.72	416.87	2.49	-69.23
[N-]=[N+]=NCC(=O)N1C2CCC1C(CNC(=O)CSC1=NC(=O)NN1)C2	REAL300025522845	0	43	0.0	-27.45	376.26	-2.30	-29.75
C[N@@H+]1CCC[C@H]1C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522858	0	53	0.0	-68.23	421.75	2.99	-65.24
C[N@H+]1CCC[C@H]1C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522858	1	53	0.0	-72.61	412.61	2.38	-70.23
C[N@H+](CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025522895	0	53	0.0	-67.53	428.36	3.51	-64.02
C[N@@H+](CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025522895	1	53	0.0	-67.57	428.50	3.51	-64.06
C[NH+]1CC(CC(=O)N2C3CCC2C(CNC(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025522923	0	53	0.0	-71.52	430.40	2.94	-68.58
C[NH+](C)CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522926	0	49	0.0	-70.66	399.30	2.09	-68.57
C[C@@H](C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025522929	0	52	0.0	-71.47	411.36	2.25	-69.22
CC1CC[N@@H+]1CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522938	0	53	0.0	-71.82	425.40	3.05	-68.77
CC1CC[N@H+]1CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522938	1	53	0.0	-68.13	424.53	2.98	-65.15
C[NH+](C)CC=CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522939	0	53	0.0	-77.82	434.83	3.32	-74.50
CC[NH+](CC)CC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025522945	0	55	0.0	-71.12	430.64	3.22	-67.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2CCC1N2C(=O)C[NH+]1CCC1	REAL300025522946	1	50	0.0	-73.47	405.06	2.36	-71.11
CC(C(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025522969	0	53	0.0	-70.67	418.63	2.69	-67.98
NC(=[NH2+])SCC(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025523009	0	47	0.0	-79.67	407.02	-0.92	-80.59
C[N@@H+]1CCC[C@H]1C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025523041	0	53	0.0	-71.63	420.56	2.96	-68.67
C[N@H+]1CCC[C@H]1C(=O)NCC1CC2CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025523041	1	53	0.0	-72.93	413.99	2.58	-70.35
CC(NC(=O)C1CCC[N@@H+]1C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523156	0	53	0.0	-70.02	429.66	-0.63	-70.65
CC(NC(=O)C1CCC[N@H+]1C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523156	1	53	0.0	-64.37	429.07	-0.73	-65.10
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523239	0	53	0.0	-64.89	428.48	-0.62	-65.51
CC(NC(=O)[C@H]1CCC[N@H+]1C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523239	1	53	0.0	-65.83	423.11	-1.20	-67.03
CC(NC(=O)C[NH+](C)C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523295	0	49	0.0	-73.84	403.37	-1.70	-75.54
CC(NC(=O)C(C)[NH+]1CCC1)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523299	1	53	0.0	-65.43	433.47	-0.75	-66.18
CC(NC(=O)C[N@H+](C)C1CC1)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523304	0	53	0.0	-65.37	432.83	-0.29	-65.66
CC(NC(=O)C[N@@H+](C)C1CC1)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523304	1	53	0.0	-70.61	432.63	-0.29	-70.90
CC(NC(=O)CC1C[NH+](C)C1)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523309	0	53	0.0	-71.24	432.95	-0.91	-72.15
CC(NC(=O)[C@H](C)[NH+](C)C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523316	0	52	0.0	-65.88	421.56	-1.28	-67.16
CC(NC(=O)CN=[N+]=[N-])C1(O)CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025523319	0	43	0.0	-23.98	380.05	-6.15	-30.13
CC(NC(=O)[C@H](C)[NH+](C)C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523333	0	52	0.0	-65.88	421.56	-1.28	-67.16
CC(NC(=O)[C@@H](C)[NH+](C)C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523350	0	52	0.0	-72.35	421.50	-1.28	-73.63
CC(NC(=O)C[NH+]1CC(C)C1)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523356	1	53	0.0	-74.17	433.41	-0.53	-74.70
CC[N@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523368	0	52	0.0	-72.85	420.80	-1.09	-73.94
CC[N@@H+](C)CC(=O)NC(C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523368	1	52	0.0	-67.32	421.25	-0.97	-68.29
CC(NC(=O)C=CC[NH+](C)C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523381	0	53	0.0	-72.03	440.74	-0.38	-72.41
CC[N@@H+]1CCC1C(=O)NC(C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523385	1	53	0.0	-72.21	427.23	-0.85	-73.06
CC[N@H+]1CCC1C(=O)NC(C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523385	1	53	0.0	-66.42	435.12	-0.65	-67.07
CC(NC(=O)C[N@@H+]1CCC1C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523424	1	53	0.0	-66.38	427.62	-0.88	-67.26
CC(NC(=O)C[N@H+]1CCC1C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523424	1	53	0.0	-72.07	434.70	-0.59	-72.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C2CCC[N@@H+]2C)C1	REAL300025523523	0	53	0.0	-73.57	422.12	-1.25	-74.82
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C2CCC[N@H+]2C)C1	REAL300025523523	1	53	0.0	-75.45	420.47	-1.24	-76.69
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1	REAL300025523673	0	53	0.0	-72.79	425.18	-0.85	-73.64
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1	REAL300025523673	1	53	0.0	-72.13	421.91	-1.30	-73.43
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025523724	0	52	0.0	-72.08	420.29	-1.40	-73.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C[NH+]2CC(C)C2)C1	REAL300025523745	1	53	0.0	-74.09	434.61	-0.65	-74.74
CC[N@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523762	0	52	0.0	-73.69	421.05	-1.09	-74.78
CC[N@@H+](C)CC(=O)N1CCC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523762	1	52	0.0	-74.97	421.20	-1.05	-76.02
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C2([NH+](C)C)CC2)C1	REAL300025523788	0	53	0.0	-77.58	423.91	-1.18	-78.76
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)[C@@H](C)[NH+](C)C)C1	REAL300025523792	0	52	0.0	-72.94	419.23	-1.46	-74.40
CC[N@@H+]1CCC1C(=O)N1CCC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523794	1	53	0.0	-73.56	432.50	-0.85	-74.41
CC[N@H+]1CCC1C(=O)N1CCC(O)(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523794	1	53	0.0	-71.47	427.15	-1.03	-72.50
CC(NC(=O)CSC1=NC(=O)NN1)C1(O)CCN(C(=O)CN=[N+]=[N-])C1	REAL300025523839	0	43	0.0	-25.43	380.49	-6.10	-31.53
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1	REAL300025523850	0	53	0.0	-73.44	422.18	-1.21	-74.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	REAL300025523850	1	53	0.0	-71.85	425.36	-0.93	-72.78
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C[N@H+](C)C2CC2)C1	REAL300025523881	0	53	0.0	-71.79	430.95	-0.35	-72.14
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C[N@@H+](C)C2CC2)C1	REAL300025523881	1	53	0.0	-72.19	432.70	-0.32	-72.51
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)CC2C[NH+](C)C2)C1	REAL300025523903	0	53	0.0	-76.22	434.73	-0.89	-77.11
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C[NH+](C)C)C1	REAL300025523906	0	49	0.0	-74.50	403.32	-1.75	-76.25
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)[C@H](C)[NH+](C)C)C1	REAL300025523909	0	52	0.0	-72.08	420.29	-1.40	-73.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C[N@@H+]2CCC2C)C1	REAL300025523916	1	53	0.0	-71.73	428.93	-0.99	-72.72
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C[N@H+]2CCC2C)C1	REAL300025523916	1	53	0.0	-72.95	434.63	-0.66	-73.61
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C=CC[NH+](C)C)C1	REAL300025523917	0	53	0.0	-80.16	439.87	-0.52	-80.68
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C[NH+]2CCC2)C1	REAL300025523923	1	50	0.0	-74.14	413.62	-1.27	-75.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C(C)[NH+]2CCC2)C1	REAL300025523940	1	53	0.0	-71.36	421.27	-1.20	-72.56
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523991	0	53	0.0	-73.22	423.46	-1.12	-74.34
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523991	1	53	0.0	-69.94	429.93	-0.67	-70.61
C[N@@H+]1CCCC1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524194	0	50	0.0	-59.45	392.16	3.75	-55.70
C[N@H+]1CCCC1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524194	1	50	0.0	-58.68	384.92	3.84	-54.84
C[N@@H+]1CCOC(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524218	1	51	0.0	-59.72	396.28	3.12	-56.60
C[N@H+]1CCOC(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524218	1	51	0.0	-83.47	395.09	3.02	-80.45
CC1=[NH+]C=CN1CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524357	1	48	0.0	-55.67	398.21	4.58	-51.09
C[C@@H]1[C@H](C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025524376	0	53	0.0	-56.89	394.80	3.84	-53.05
C[C@@H]1[C@H](C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025524376	1	53	0.0	-67.75	410.99	4.37	-63.38
C[NH+](C)C1(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)CCC1	REAL300025524397	0	53	0.0	-68.67	398.00	3.97	-64.70
CC(C)[C@@H](C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025524399	0	55	0.0	-67.81	411.24	4.40	-63.41
C[N@H+](CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025524409	0	53	0.0	-56.99	414.94	4.95	-52.04
C[N@@H+](CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025524409	1	53	0.0	-58.89	415.04	4.95	-53.94
C[NH+]1CCC(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025524435	0	53	0.0	-81.67	412.67	4.55	-77.12
C[N@@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524441	0	53	0.0	-60.98	405.47	4.22	-56.76
C[N@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524441	1	53	0.0	-65.17	401.48	4.19	-60.98
CC1=C[NH+]=CN1CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524458	1	48	0.0	-62.25	398.56	5.30	-56.95
C[N@@H+]1CCC(CC(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524468	0	53	0.0	-60.11	415.88	4.60	-55.51
C[N@H+]1CCC(CC(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524468	1	53	0.0	-63.50	414.98	4.62	-58.88
CCC(C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025524471	0	52	0.0	-59.32	388.99	3.73	-55.59
C[NH+](C)CCCCC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524485	0	55	0.0	-63.85	434.46	5.13	-58.72
CC(C)C(C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025524489	0	55	0.0	-53.89	411.09	4.45	-49.44
CCC[N@H+](C)CCC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524490	0	55	0.0	-61.77	430.39	4.97	-56.80
CCC[N@@H+](C)CCC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524490	1	55	0.0	-61.23	430.40	4.97	-56.26
CCC[N@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524491	0	52	0.0	-59.23	408.06	4.38	-54.85
CCC[N@@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524491	1	52	0.0	-59.68	408.03	4.38	-55.30
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524506	0	50	0.0	-63.73	387.75	3.46	-60.27
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524506	1	50	0.0	-58.28	383.40	3.82	-54.46
CC[NH+](CC)CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524518	0	52	0.0	-58.99	405.16	4.29	-54.70
C[NH+](C)CC1(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025524572	0	53	0.0	-47.31	403.65	4.23	-43.08
C[NH+]1CCC(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025524596	0	53	0.0	-81.67	412.67	4.55	-77.12
CC(C)[C@H](C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025524611	0	55	0.0	-53.75	411.51	4.47	-49.28
CC[N@H+](C)CCC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524639	0	52	0.0	-61.15	408.89	4.23	-56.92
CC[N@@H+](C)CCC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524639	1	52	0.0	-60.62	408.90	4.22	-56.40
CC1CCC[N@@H+]1CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524650	0	53	0.0	-56.75	414.33	4.66	-52.09
CC1CCC[N@H+]1CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524650	1	53	0.0	-56.38	407.56	4.33	-52.05
CC1CC[N@H+](CC(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524651	0	53	0.0	-59.70	415.16	4.62	-55.08
CC1CC[N@@H+](CC(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524651	1	53	0.0	-59.44	415.00	4.72	-54.72
CC[C@@H](C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025524653	0	52	0.0	-55.42	396.12	3.78	-51.64
C[NH+](C)CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524690	0	46	0.0	-59.98	368.81	2.95	-57.03
CN1C=C[N+](CC(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300025524691	0	48	0.0	-55.93	400.08	6.48	-49.45
C[N@@H+]1CCCC(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524694	0	53	0.0	-56.88	403.79	4.56	-52.32
C[N@H+]1CCCC(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524694	1	53	0.0	-74.70	412.74	4.49	-70.21
CC(C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025524702	1	50	0.0	-54.87	396.14	3.78	-51.09
C[NH+](C)CC(C)(C)C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524705	0	55	0.0	-72.64	404.73	4.67	-67.97
C[N@H+](CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025524712	0	50	0.0	-56.70	398.08	4.37	-52.33
C[N@@H+](CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025524712	1	50	0.0	-57.86	398.10	4.37	-53.49
C[NH+]1CC(CC(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524723	0	50	0.0	-63.77	400.24	3.82	-59.95
C[C@@H](C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025524735	0	49	0.0	-60.24	381.00	3.13	-57.11
[N-]=[N+]=NCC(=O)N1CC2CC(C1)N(C(=O)CSC1=NC(=O)NN1)C2	REAL300025524742	0	40	0.0	-22.20	345.99	-1.45	-23.65
C[N@H+](CCO)CCC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524774	0	53	0.0	-59.49	419.25	1.02	-58.47
C[N@@H+](CCO)CCC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524774	1	53	0.0	-61.58	419.23	0.97	-60.61
C[C@@H](C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025524775	0	49	0.0	-60.24	381.00	3.13	-57.11
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524778	0	53	0.0	-63.65	401.20	4.25	-59.40
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524778	1	53	0.0	-62.11	405.88	4.34	-57.77
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CN(C(=O)C[NH+]1CCC1)C2	REAL300025524805	1	47	0.0	-59.11	378.95	3.37	-55.74
C[N@@H+]1CCC(=CC(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524815	0	51	0.0	-74.84	406.70	4.53	-70.31
C[N@H+]1CCC(=CC(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524815	1	51	0.0	-74.72	406.65	4.53	-70.19
C[NH+](C)CCOCC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524825	0	53	0.0	-64.54	424.97	4.07	-60.47
C[C@H](C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025524836	0	49	0.0	-61.87	381.96	3.08	-58.79
CC1C[NH+](CC(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524853	1	50	0.0	-60.47	399.58	4.08	-56.39
C[N@H+](CCO)CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524866	1	50	0.0	-61.78	396.89	0.39	-61.39
C[N@@H+](CCO)CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524866	1	50	0.0	-58.53	396.70	0.39	-58.14
CC(CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025524878	0	55	0.0	-58.20	426.22	4.98	-53.22
CC[N@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524880	0	49	0.0	-59.00	386.56	3.63	-55.37
CC[N@@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524880	1	49	0.0	-59.25	386.54	3.63	-55.62
CC[N@H+](CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025524890	0	53	0.0	-56.05	417.41	4.98	-51.07
CC[N@@H+](CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025524890	1	53	0.0	-56.72	415.16	4.94	-51.78
CC[NH+](CC)CCC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524896	0	55	0.0	-59.72	427.05	4.90	-54.82
CC1(C)C[NH+](CC(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025524904	1	53	0.0	-59.69	419.53	4.56	-55.13
C[NH+](C)CC=CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524911	0	50	0.0	-76.38	403.70	4.19	-72.19
COCC[N@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524920	1	53	0.0	-57.79	418.95	2.80	-54.99
COCC[N@@H+](C)CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524920	1	53	0.0	-61.89	419.14	2.79	-59.10
CC(CCC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025524929	0	55	0.0	-66.11	422.45	4.73	-61.38
CC[N@@H+]1CCC1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524933	1	50	0.0	-59.20	393.15	3.63	-55.57
CC[N@H+]1CCC1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524933	1	50	0.0	-58.87	392.39	3.62	-55.25
C=CCC(C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025524958	0	53	0.0	-59.42	404.92	4.10	-55.32
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CN(C(=O)C[NH+]1CC3CC3C1)C2	REAL300025524966	0	51	0.0	-59.65	404.16	4.84	-54.81
CCCC(C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025524972	0	55	0.0	-62.01	412.74	4.41	-57.60
C[NH+](C)C(C)(C)C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524974	0	52	0.0	-82.00	386.10	3.60	-78.40
C[N@@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524984	0	53	0.0	-60.98	405.47	4.22	-56.76
C[N@H+]1CCCCC1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025524984	1	53	0.0	-65.17	401.48	4.19	-60.98
C[NH+](C)C1(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025525021	0	50	0.0	-68.50	387.56	3.37	-65.13
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CN(C(=O)CC[NH+]1CCCC1)C2	REAL300025525022	0	53	0.0	-60.83	417.13	4.73	-56.10
C[N@@H+]1CC2CC1(C(=O)N1CC3CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025525032	0	51	0.0	-81.15	393.88	4.10	-77.05
C[N@H+]1CC2CC1(C(=O)N1CC3CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C3)C2	REAL300025525032	1	51	0.0	-51.81	386.15	3.68	-48.13
CC(C[NH+](C)C)C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525068	0	52	0.0	-59.97	402.08	3.90	-56.07
CC(C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300025525091	0	53	0.0	-55.62	417.94	4.45	-51.17
CC1CC[N@@H+]1CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525092	1	50	0.0	-58.21	394.69	3.76	-54.45
CC1CC[N@H+]1CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525092	1	50	0.0	-57.11	400.20	4.04	-53.07
C[NH+](C)CC(O)CC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525094	0	53	0.0	-64.18	421.71	2.01	-62.17
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025525124	0	53	0.0	-53.55	414.02	4.47	-49.08
CC(CC[NH+](C)C)C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525125	0	55	0.0	-66.68	424.49	4.51	-62.17
C[N@@H+]1CCCC1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525295	0	50	0.0	-57.35	390.59	3.74	-53.61
C[N@H+]1CCCC1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525295	1	50	0.0	-57.44	391.00	3.87	-53.57
C[N@@H+]1CCC(CC(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025525469	0	53	0.0	-62.28	415.84	4.60	-57.68
C[N@H+]1CCC(CC(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025525469	1	53	0.0	-65.47	414.99	4.64	-60.83
CCC(C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025525472	0	52	0.0	-55.50	396.81	3.99	-51.51
C[NH+](C)CCCCC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525481	0	55	0.0	-66.48	434.18	5.17	-61.31
CCC[N@H+](C)CCC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525486	0	55	0.0	-63.49	430.70	4.96	-58.53
CCC[N@@H+](C)CCC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525486	1	55	0.0	-63.25	430.41	5.00	-58.25
CCC[N@H+](C)CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525487	0	52	0.0	-60.68	408.14	4.44	-56.24
CCC[N@@H+](C)CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525487	1	52	0.0	-60.05	408.09	4.42	-55.63
C[NH+](C)CC1(C(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025525517	0	53	0.0	-48.12	413.16	4.47	-43.65
CC[N@H+](C)CCC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525522	0	52	0.0	-62.93	409.19	4.23	-58.70
CC[N@@H+](C)CCC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525522	1	52	0.0	-62.71	408.90	4.25	-58.46
C[NH+]1CCC(C(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025525538	0	53	0.0	-69.39	413.47	4.55	-64.84
CC1CCC[N@@H+]1CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525579	0	53	0.0	-57.88	414.92	4.66	-53.22
CC1CCC[N@H+]1CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525579	1	53	0.0	-58.50	414.51	4.85	-53.65
CC1CC[N@H+](CC(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025525594	0	53	0.0	-59.42	415.11	4.70	-54.72
CC1CC[N@@H+](CC(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025525594	1	53	0.0	-59.45	414.45	4.75	-54.70
CC[C@@H](C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025525596	0	52	0.0	-56.52	398.82	4.02	-52.50
CC1=[NH+]C=CN1CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525631	1	48	0.0	-58.99	398.34	4.64	-54.35
CC1=C[NH+]=CN1CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525646	1	48	0.0	-56.56	398.68	5.36	-51.20
C[C@@H]1[C@H](C(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025525647	0	53	0.0	-58.67	398.97	3.83	-54.84
C[C@@H]1[C@H](C(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025525647	1	53	0.0	-57.20	402.71	4.10	-53.10
C[N@H+](CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025525671	0	53	0.0	-59.66	415.13	5.01	-54.65
C[N@@H+](CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CCC1	REAL300025525671	1	53	0.0	-57.81	414.98	5.00	-52.81
C[NH+]1CCC(C(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC1	REAL300025525678	0	53	0.0	-69.39	413.47	4.55	-64.84
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525688	0	50	0.0	-65.21	387.96	3.45	-61.76
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525688	1	50	0.0	-57.65	391.18	3.86	-53.79
CC1C(C(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025525748	0	53	0.0	-66.67	403.97	3.94	-62.73
CC1C(C(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025525748	1	53	0.0	-70.30	404.70	3.92	-66.38
C[C@@H](C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025525782	0	49	0.0	-61.62	386.13	3.38	-58.24
O=C(CC[NH+]1CCCC1)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525800	0	53	0.0	-63.93	415.54	4.66	-59.27
C[N@H+](CCO)CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525805	1	50	0.0	-59.42	396.95	0.45	-58.97
C[N@@H+](CCO)CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525805	1	50	0.0	-62.01	396.78	0.46	-61.55
CC1C[NH+](CC(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025525847	1	50	0.0	-60.78	400.34	4.12	-56.66
CC[N@H+](C)CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525873	0	49	0.0	-60.20	386.60	3.68	-56.52
CC[N@@H+](C)CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525873	1	49	0.0	-59.87	386.65	3.70	-56.17
COCC[N@H+](C)CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525917	1	53	0.0	-63.04	419.03	2.86	-60.18
COCC[N@@H+](C)CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525917	1	53	0.0	-59.46	419.20	2.85	-56.61
CC(CCC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025525919	0	55	0.0	-61.12	426.17	4.78	-56.34
CC[N@H+](CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025525923	0	53	0.0	-58.02	417.70	5.00	-53.02
CC[N@@H+](CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025525923	1	53	0.0	-58.12	414.97	5.05	-53.07
CC(C[NH+](C)C)C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525942	0	52	0.0	-68.74	407.74	4.14	-64.60
C[C@H](C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025525954	0	49	0.0	-63.27	385.14	3.31	-59.96
CC[N@@H+]1CCC1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525957	1	50	0.0	-61.10	400.49	3.94	-57.16
CC[N@H+]1CCC1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525957	1	50	0.0	-61.02	400.67	4.01	-57.01
NC1=CC=[NH+]C=C1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525971	0	46	0.0	-62.91	377.30	0.94	-61.97
CCCC(C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025525975	0	55	0.0	-56.50	419.04	4.76	-51.74
CC(CC[NH+](C)C)C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025525985	0	55	0.0	-70.46	429.40	4.75	-65.71
O=C(C[NH+]1CC2CC2C1)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526042	0	51	0.0	-61.13	404.25	4.91	-56.22
C[N@@H+]1CCCCC1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526051	0	53	0.0	-66.52	401.49	4.23	-62.29
C[N@H+]1CCCCC1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526051	1	53	0.0	-61.94	409.36	4.52	-57.42
C[N@@H+]1CCC(=CC(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025526073	0	51	0.0	-67.06	406.99	4.53	-62.53
C[N@H+]1CCC(=CC(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025526073	1	51	0.0	-65.93	406.36	4.63	-61.30
[N-]=[N+]=NCC(=O)N1CC2CC1CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025526078	0	40	0.0	-23.65	345.78	-1.40	-25.05
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526091	0	50	0.0	-57.67	390.28	3.85	-53.82
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526091	1	50	0.0	-54.69	383.15	3.34	-51.35
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025526130	0	53	0.0	-68.96	418.56	4.73	-64.23
C[NH+](C)CCOCC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526147	0	53	0.0	-59.27	424.69	4.13	-55.14
O=C(C[NH+]1CCCCC1)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526172	0	53	0.0	-60.58	410.53	4.88	-55.70
C[N@@H+]1CCCC(C(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025526173	0	53	0.0	-67.17	405.13	4.57	-62.60
C[N@H+]1CCCC(C(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025526173	1	53	0.0	-46.65	398.76	4.43	-42.22
CN1C=C[N+](CC(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1	REAL300025526174	0	48	0.0	-60.58	400.15	6.54	-54.04
C[N@H+](CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025526183	0	50	0.0	-57.07	398.08	4.42	-52.65
C[N@@H+](CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C1CC1	REAL300025526183	1	50	0.0	-58.84	398.22	4.43	-54.41
CC(CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)C[NH+](C)C	REAL300025526191	0	55	0.0	-65.38	426.00	5.03	-60.35
C[NH+]1CC(CC(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025526232	0	50	0.0	-59.70	400.36	3.87	-55.83
C[NH+](C)CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526239	0	46	0.0	-60.76	368.81	3.02	-57.74
C[N@H+](CCO)CCC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526249	0	53	0.0	-64.70	419.55	1.00	-63.70
C[N@@H+](CCO)CCC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526249	1	53	0.0	-63.02	419.24	1.00	-62.02
C[C@@H](C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025526250	0	49	0.0	-61.62	386.13	3.38	-58.24
CC(C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CC(C)C1	REAL300025526260	0	53	0.0	-58.49	417.30	4.54	-53.95
CC1CC[N@@H+]1CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526261	1	50	0.0	-59.20	394.85	3.84	-55.36
CC1CC[N@H+]1CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526261	1	50	0.0	-57.98	400.12	4.12	-53.86
C[NH+](C)CC=CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526262	0	50	0.0	-68.79	404.03	4.19	-64.60
CC1(C)C[NH+](CC(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025526265	1	53	0.0	-61.01	419.47	4.60	-56.41
CC[NH+](CC)CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526281	0	52	0.0	-59.53	404.55	4.37	-55.16
O=C(C[NH+]1CCC1)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526286	1	47	0.0	-61.25	379.39	3.50	-57.75
CC[NH+](CC)CCC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526302	0	55	0.0	-61.87	422.41	4.66	-57.21
CC(C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+]1CCC1	REAL300025526324	1	50	0.0	-63.46	396.04	3.72	-59.74
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526343	0	53	0.0	-66.09	401.38	4.26	-61.83
C[N@H+]1CCCC[C@@H]1C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526343	1	53	0.0	-63.48	408.81	4.41	-59.07
C[NH+](C)CC(O)CC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526350	0	53	0.0	-66.45	421.42	2.09	-64.36
C=CCC(C(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025526362	0	53	0.0	-56.17	411.55	4.52	-51.65
NC(=[NH2+])SCC(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526382	0	44	0.0	-61.31	377.02	-0.02	-61.33
CCC1C[NH+](CC(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300025526442	1	53	0.0	-60.61	421.67	4.74	-55.87
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526446	0	50	0.0	-70.08	395.03	3.92	-66.16
C[N@H+]1CCC[C@H]1C(=O)N1CC2CC(C1)N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025526446	1	50	0.0	-62.70	387.43	3.50	-59.20
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CN(C(=O)C[NH+]1CCCCC1)C2	REAL300025526453	0	53	0.0	-58.57	410.52	4.82	-53.75
CC1C(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@@H+]1C	REAL300025526457	0	53	0.0	-54.21	404.36	4.33	-49.88
CC1C(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)CC[N@H+]1C	REAL300025526457	1	53	0.0	-55.38	393.67	3.70	-51.68
C[NH+](C)CC(=O)NC1(C2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025526533	0	53	0.0	-69.59	409.96	0.08	-69.51
[N-]=[N+]=NCC(=O)NC1(C2(O)CCN(C(=O)CSC3=NC(=O)NN3)CC2)CC1	REAL300025526538	0	47	0.0	-24.49	386.93	-4.32	-28.81
[N-]=[N+]=NCC(=O)N1CCC(O)(C2(NC(=O)CSC3=NC(=O)NN3)CC2)CC1	REAL300025526595	0	47	0.0	-24.99	386.88	-4.42	-29.41
C[NH+](C)CC(=O)N1CCC(O)(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025526602	0	53	0.0	-75.84	409.92	-0.02	-75.86
C[NH+](C)CC(=O)NCC1CC(F)(F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025526721	0	45	0.0	-74.19	384.59	0.99	-73.20
C[C@@H](C(=O)NCC1CC(F)(F)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025526727	0	48	0.0	-72.30	401.81	1.47	-70.83
[N-]=[N+]=NCC(=O)NCC1CC(F)(F)CN1C(=O)CSC1=NC(=O)NN1	REAL300025526730	0	39	0.0	-25.90	361.71	-3.38	-29.28
C[C@@H](C(=O)NCC1CC(F)(F)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025526740	0	48	0.0	-72.30	401.81	1.47	-70.83
O=C(C[NH+]1CCC1)NCC1CC(F)(F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025526748	1	46	0.0	-74.48	394.64	1.43	-73.05
C[C@H](C(=O)NCC1CC(F)(F)CN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025526753	0	48	0.0	-72.88	402.63	1.47	-71.41
CC[N@H+](C)CC(=O)NCC1CC(F)(F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025526765	0	48	0.0	-73.20	402.04	1.69	-71.51
CC[N@@H+](C)CC(=O)NCC1CC(F)(F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025526765	1	48	0.0	-73.66	402.27	1.67	-71.99
C[C@@H](C(=O)N1CC(F)(F)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025526916	0	48	0.0	-72.21	398.92	1.27	-70.94
CC[N@H+](C)CC(=O)N1CC(F)(F)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025526934	0	48	0.0	-74.10	402.28	1.62	-72.48
CC[N@@H+](C)CC(=O)N1CC(F)(F)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025526934	1	48	0.0	-74.12	402.29	1.61	-72.51
C[C@H](C(=O)N1CC(F)(F)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025526943	0	48	0.0	-72.38	400.49	1.32	-71.06
[N-]=[N+]=NCC(=O)N1CC(F)(F)CC1CNC(=O)CSC1=NC(=O)NN1	REAL300025526966	0	39	0.0	-25.52	361.31	-3.43	-28.95
C[NH+](C)CC(=O)N1CC(F)(F)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025526992	0	45	0.0	-74.80	384.34	0.97	-73.83
C[C@@H](C(=O)N1CC(F)(F)CC1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025526995	0	48	0.0	-72.21	398.92	1.27	-70.94
C[N@@H+]1CCCC1C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527134	0	50	0.0	-74.97	420.86	-2.44	-77.41
C[N@H+]1CCCC1C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527134	1	50	0.0	-74.20	421.02	-2.37	-76.57
CCC(C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025527224	0	52	0.0	-77.01	423.91	-2.31	-79.32
CCC[N@H+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527229	0	52	0.0	-78.38	434.38	-1.98	-80.36
CCC[N@@H+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527229	1	52	0.0	-78.42	434.38	-1.98	-80.40
C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527236	0	50	0.0	-78.71	414.07	-2.90	-81.61
C[N@H+]1CCC[C@@H]1C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527236	1	50	0.0	-73.73	420.37	-2.45	-76.18
CC[NH+](CC)CC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527241	0	52	0.0	-76.62	426.36	-2.31	-78.93
CC[N@H+](C)CCC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527294	0	52	0.0	-79.00	435.25	-2.19	-81.19
CC[N@@H+](C)CCC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527294	1	52	0.0	-79.01	435.25	-2.19	-81.20
CC[C@@H](C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025527297	0	52	0.0	-74.80	425.55	-2.37	-77.17
C[NH+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527314	0	46	0.0	-78.76	395.14	-3.39	-82.15
CC(C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025527318	1	50	0.0	-74.60	425.68	-2.40	-77.00
C[N@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025527324	0	50	0.0	-75.74	424.42	-1.99	-77.73
C[N@@H+](CC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025527324	1	50	0.0	-75.72	424.43	-1.99	-77.71
C[NH+]1CC(CC(=O)NCC2(C(N)=O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025527329	0	50	0.0	-79.14	426.59	-2.57	-81.71
C[C@@H](C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025527336	0	49	0.0	-75.57	413.47	-2.99	-78.56
[N-]=[N+]=NCC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025527339	0	40	0.0	-28.47	372.11	-7.79	-36.26
C[C@@H](C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025527356	0	49	0.0	-75.57	413.47	-2.99	-78.56
C[C@H](C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025527376	0	49	0.0	-69.53	412.93	-2.92	-72.45
CC1C[NH+](CC(=O)NCC2(C(N)=O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025527382	1	50	0.0	-72.66	424.45	-2.14	-74.80
CC[N@H+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527397	0	49	0.0	-72.45	410.92	-2.64	-75.09
CC[N@@H+](C)CC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527397	1	49	0.0	-77.94	412.89	-2.73	-80.67
C[NH+](C)CC=CC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527412	0	50	0.0	-81.65	431.11	-2.19	-83.84
CC[N@@H+]1CCC1C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527416	1	50	0.0	-78.61	417.78	-2.67	-81.28
CC[N@H+]1CCC1C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527416	1	50	0.0	-71.92	424.82	-2.28	-74.20
C[NH+](C)C(C)(C)C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527428	0	52	0.0	-76.71	422.61	-2.24	-78.95
C[NH+](C)C1(C(=O)NCC2(C(N)=O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025527447	0	50	0.0	-81.36	406.25	-0.53	-81.89
CC(C[NH+](C)C)C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527464	0	52	0.0	-78.96	433.55	-2.12	-81.08
CC1CC[N@@H+]1CC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527471	1	50	0.0	-70.83	421.29	-2.52	-73.35
CC1CC[N@H+]1CC(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527471	1	50	0.0	-71.93	424.82	-2.18	-74.11
C[N@@H+]1CCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527574	0	50	0.0	-73.33	416.95	-2.42	-75.75
C[N@H+]1CCCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527574	1	50	0.0	-76.54	412.34	-2.82	-79.36
CCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1)[NH+](C)C	REAL300025527640	0	52	0.0	-78.16	426.16	-2.27	-80.43
CCC[N@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527644	0	52	0.0	-76.93	432.41	-1.89	-78.82
CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527644	1	52	0.0	-78.18	433.37	-2.04	-80.22
CC[N@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527659	0	52	0.0	-81.98	435.25	-2.19	-84.17
CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527659	1	52	0.0	-82.01	435.25	-2.19	-84.20
CC[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1)[NH+](C)C	REAL300025527698	0	52	0.0	-74.81	424.34	-2.37	-77.18
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527736	0	50	0.0	-70.53	414.09	-2.96	-73.49
C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527736	1	50	0.0	-76.88	416.44	-2.52	-79.40
C[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1)[NH+](C)C	REAL300025527787	0	49	0.0	-77.16	412.72	-2.98	-80.14
CC1C[NH+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)(C(N)=O)C2)C1	REAL300025527808	1	50	0.0	-79.75	426.62	-2.31	-82.06
CC[N@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527826	0	49	0.0	-76.69	410.93	-2.65	-79.34
CC[N@@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527826	1	49	0.0	-69.59	412.10	-2.65	-72.24
CC(C[NH+](C)C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527851	0	52	0.0	-81.61	430.90	-2.36	-83.97
C[NH+](C)C1(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)(C(N)=O)C2)CC1	REAL300025527853	0	50	0.0	-84.35	417.70	-2.45	-86.80
C[C@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1)[NH+](C)C	REAL300025527857	0	49	0.0	-78.72	413.39	-3.03	-81.75
CC[N@@H+]1CCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527859	1	50	0.0	-75.90	417.14	-2.73	-78.63
CC[N@H+]1CCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527859	1	50	0.0	-76.26	418.55	-2.80	-79.06
C[NH+](C)C(C)(C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527866	0	52	0.0	-85.25	417.58	-2.37	-87.62
[N-]=[N+]=NCC(=O)N1CC(CNC(=O)CSC2=NC(=O)NN2)(C(N)=O)C1	REAL300025527909	0	40	0.0	-34.12	371.10	-7.85	-41.97
C[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527920	0	50	0.0	-73.99	416.60	-2.39	-76.38
C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527920	1	50	0.0	-75.93	410.50	-2.75	-78.68
C[N@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1)C1CC1	REAL300025527951	0	50	0.0	-74.95	423.42	-2.02	-76.97
C[N@@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1)C1CC1	REAL300025527951	1	50	0.0	-75.79	423.56	-2.03	-77.82
C[NH+]1CC(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)(C(N)=O)C2)C1	REAL300025527973	0	50	0.0	-81.23	425.42	-2.63	-83.86
C[NH+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527976	0	46	0.0	-79.64	395.15	-3.41	-83.05
C[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1)[NH+](C)C	REAL300025527979	0	49	0.0	-77.16	412.72	-2.98	-80.14
CC1CC[N@@H+]1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527986	1	50	0.0	-68.69	421.01	-2.61	-71.30
CC1CC[N@H+]1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527986	1	50	0.0	-75.94	425.14	-2.19	-78.13
C[NH+](C)CC=CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527987	0	50	0.0	-85.28	430.87	-2.21	-87.49
CC[NH+](CC)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300025527993	0	52	0.0	-76.45	429.46	-2.10	-78.55
NC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[NH+]2CCC2)C1	REAL300025527994	1	47	0.0	-80.04	405.42	-2.99	-83.03
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1)[NH+]1CCC1	REAL300025528011	1	50	0.0	-67.84	425.00	-2.44	-70.28
C[N@@H+]1CCC[C@H]1C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025528067	0	50	0.0	-75.39	421.38	-2.36	-77.75
C[N@H+]1CCC[C@H]1C(=O)NCC1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025528067	1	50	0.0	-77.82	413.83	-2.83	-80.65
C[N@@H+]1CCCC1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528190	0	53	0.0	-70.41	409.66	3.22	-67.19
C[N@H+]1CCCC1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528190	1	53	0.0	-65.38	417.15	3.07	-62.31
CCC(C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025528293	0	55	0.0	-66.50	423.56	3.15	-63.35
CCC[N@H+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528298	0	55	0.0	-68.30	430.44	3.38	-64.92
CCC[N@@H+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528298	1	55	0.0	-68.25	430.40	3.41	-64.84
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528306	0	53	0.0	-67.15	410.89	2.57	-64.58
C[N@H+]1CCC[C@@H]1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528306	1	53	0.0	-69.12	420.30	2.81	-66.31
CC[NH+](CC)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528311	0	55	0.0	-69.95	430.85	3.19	-66.76
CC[N@H+](C)CCC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528369	0	55	0.0	-68.05	431.11	3.97	-64.08
CC[N@@H+](C)CCC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528369	1	55	0.0	-68.21	431.12	3.97	-64.24
CC[C@@H](C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025528372	0	55	0.0	-69.20	419.92	3.75	-65.45
C[NH+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528390	0	49	0.0	-72.25	394.75	1.82	-70.43
CC(C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+]1CCC1	REAL300025528394	1	53	0.0	-69.84	421.58	2.80	-67.04
C[N@H+](CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)C1CC1	REAL300025528401	0	53	0.0	-66.10	420.80	3.41	-62.69
C[N@@H+](CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)C1CC1	REAL300025528401	1	53	0.0	-69.85	423.23	3.16	-66.69
C[NH+]1CC(CC(=O)NC2CCC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025528407	0	53	0.0	-73.68	425.18	2.58	-71.10
C[C@@H](C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025528414	0	52	0.0	-66.79	409.04	2.39	-64.40
[N-]=[N+]=NCC(=O)NC1CCC2CN(C(=O)CSC3=NC(=O)NN3)CC21	REAL300025528417	0	43	0.0	-22.69	367.98	-1.64	-24.33
C[C@@H](C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025528436	0	52	0.0	-66.79	409.04	2.39	-64.40
C[C@H](C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21)[NH+](C)C	REAL300025528465	0	52	0.0	-66.77	409.34	2.39	-64.38
CC1C[NH+](CC(=O)NC2CCC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)C1	REAL300025528472	1	53	0.0	-68.17	422.17	3.05	-65.12
C[N@H+](CCO)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528483	1	53	0.0	-68.62	419.26	-0.56	-69.18
C[N@@H+](CCO)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528483	1	53	0.0	-72.88	421.69	-0.82	-73.70
CC[N@H+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528490	0	52	0.0	-67.87	408.85	2.66	-65.21
CC[N@@H+](C)CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528490	1	52	0.0	-67.89	408.94	2.64	-65.25
C[NH+](C)CC=CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528508	0	53	0.0	-75.88	429.79	2.97	-72.91
CC[N@@H+]1CCC1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528514	1	53	0.0	-69.82	418.64	2.48	-67.34
CC[N@H+]1CCC1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528514	1	53	0.0	-66.70	422.74	3.03	-63.67
C[NH+](C)C(C)(C)C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528528	0	55	0.0	-74.68	421.00	2.93	-71.75
C[NH+](C)C1(C(=O)NC2CCC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)CC1	REAL300025528551	0	53	0.0	-68.14	417.74	2.64	-65.50
CC(C[NH+](C)C)C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528573	0	55	0.0	-69.34	429.36	3.27	-66.07
CC1CC[N@@H+]1CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528584	1	53	0.0	-70.25	419.64	2.58	-67.67
CC1CC[N@H+]1CC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025528584	1	53	0.0	-70.76	425.44	2.85	-67.91
C[N@@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025528699	0	53	0.0	-74.40	412.25	2.22	-72.18
C[N@H+]1CCCC1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025528699	1	53	0.0	-72.42	412.76	2.22	-70.20
CCC(C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025528773	0	55	0.0	-70.41	417.44	3.52	-66.89
CCC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025528777	0	55	0.0	-74.75	433.56	3.18	-71.57
CCC[N@@H+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025528777	1	55	0.0	-74.65	433.06	3.11	-71.54
CC[N@H+](C)CCC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025528794	0	55	0.0	-76.16	431.12	3.96	-72.20
CC[N@@H+](C)CCC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025528794	1	55	0.0	-76.32	431.12	3.96	-72.36
CC[C@@H](C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025528835	0	55	0.0	-70.71	422.02	2.59	-68.12
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025528881	0	53	0.0	-72.44	412.77	2.22	-70.22
C[N@H+]1CCC[C@@H]1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025528881	1	53	0.0	-71.40	415.54	2.58	-68.82
C[C@@H](C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025528936	0	52	0.0	-72.70	411.00	2.08	-70.62
C[N@H+](CCO)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025528946	1	53	0.0	-75.07	421.91	-0.87	-75.94
C[N@@H+](CCO)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025528946	1	53	0.0	-75.34	422.17	-0.78	-76.12
CC1C[NH+](CC(=O)N2CC3CCC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025528962	1	53	0.0	-75.33	423.96	2.86	-72.47
CC[N@H+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025528980	0	52	0.0	-74.41	412.06	2.44	-71.97
CC[N@@H+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025528980	1	52	0.0	-74.38	412.06	2.44	-71.94
CC(C[NH+](C)C)C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025529013	0	55	0.0	-69.82	426.93	3.06	-66.76
C[NH+](C)C1(C(=O)N2CC3CCC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)CC1	REAL300025529016	0	53	0.0	-76.49	416.31	2.04	-74.45
C[C@H](C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025529020	0	52	0.0	-73.58	410.50	2.07	-71.51
CC[N@@H+]1CCC1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025529023	1	53	0.0	-73.79	422.65	2.90	-70.89
CC[N@H+]1CCC1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025529023	1	53	0.0	-73.54	422.56	2.95	-70.59
C[NH+](C)C(C)(C)C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025529032	0	55	0.0	-76.76	409.93	2.52	-74.24
[N-]=[N+]=NCC(=O)N1CC2CCC(NC(=O)CSC3=NC(=O)NN3)C2C1	REAL300025529081	0	43	0.0	-24.13	368.35	-2.46	-26.59
C[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025529094	0	53	0.0	-71.39	417.54	2.62	-68.77
C[N@H+]1CCC[C@H]1C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025529094	1	53	0.0	-72.60	412.31	2.22	-70.38
C[N@H+](CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CC1	REAL300025529131	0	53	0.0	-71.09	420.45	4.13	-66.96
C[N@@H+](CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)C1CC1	REAL300025529131	1	53	0.0	-71.47	420.81	3.38	-68.09
C[NH+]1CC(CC(=O)N2CC3CCC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)C1	REAL300025529159	0	53	0.0	-74.82	422.83	2.80	-72.02
C[NH+](C)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025529162	0	49	0.0	-74.39	391.39	1.96	-72.43
C[C@@H](C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+](C)C	REAL300025529165	0	52	0.0	-72.70	411.00	2.08	-70.62
CC1CC[N@@H+]1CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025529174	1	53	0.0	-71.40	416.81	3.43	-67.97
CC1CC[N@H+]1CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025529174	1	53	0.0	-72.28	421.07	3.73	-68.55
C[NH+](C)CC=CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025529175	0	53	0.0	-79.17	427.28	3.93	-75.24
CC[NH+](CC)CC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300025529181	0	55	0.0	-71.56	422.41	3.80	-67.76
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CN(C(=O)C[NH+]3CCC3)CC21	REAL300025529182	1	50	0.0	-75.18	403.93	2.13	-73.05
CC(C(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1)[NH+]1CCC1	REAL300025529205	1	53	0.0	-72.33	417.49	2.43	-69.90
NC(=[NH2+])SCC(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025529245	0	47	0.0	-73.45	403.28	-1.30	-74.75
C[N@@H+]1CCC[C@H]1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025529277	0	53	0.0	-68.08	420.26	2.80	-65.28
C[N@H+]1CCC[C@H]1C(=O)NC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC21	REAL300025529277	1	53	0.0	-67.09	410.97	2.54	-64.55
C[NH+](C)CC(=O)NCC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025529397	0	54	0.0	-66.97	413.73	3.25	-63.72
C[C@@H](C(=O)NCC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025529402	0	57	0.0	-63.31	431.78	3.67	-59.64
CC(C)(CNC(=O)CN=[N+]=[N-])C1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025529405	0	48	0.0	-22.11	390.70	-1.15	-23.26
C[C@@H](C(=O)NCC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025529415	0	57	0.0	-63.31	431.78	3.67	-59.64
C[C@H](C(=O)NCC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025529428	0	57	0.0	-66.44	431.72	3.66	-62.78
CC[N@H+](C)CC(=O)NCC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025529440	0	57	0.0	-66.68	431.01	3.91	-62.77
CC[N@@H+](C)CC(=O)NCC(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025529440	1	57	0.0	-66.44	431.01	3.92	-62.52
C[C@@H](C(=O)N1CCCC1C(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025529570	0	57	0.0	-69.94	429.25	3.69	-66.25
CC[N@H+](C)CC(=O)N1CCCC1C(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025529588	0	57	0.0	-64.18	431.10	3.85	-60.33
CC[N@@H+](C)CC(=O)N1CCCC1C(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025529588	1	57	0.0	-64.39	430.50	3.81	-60.58
C[C@H](C(=O)N1CCCC1C(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025529597	0	57	0.0	-64.45	429.91	3.52	-60.93
CC(C)(CNC(=O)CSC1=NC(=O)NN1)C1CCCN1C(=O)CN=[N+]=[N-]	REAL300025529618	0	48	0.0	-21.35	390.71	-1.18	-22.53
C[NH+](C)CC(=O)N1CCCC1C(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025529640	0	54	0.0	-65.04	412.95	3.14	-61.90
C[C@@H](C(=O)N1CCCC1C(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025529643	0	57	0.0	-69.94	429.25	3.69	-66.25
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCCN1C(=O)C[NH+]1CCC1	REAL300025529649	1	55	0.0	-71.97	422.70	3.82	-68.15
CCC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529687	0	52	0.0	-80.40	402.03	3.52	-76.88
CC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529688	0	49	0.0	-80.13	380.85	2.67	-77.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC([NH+]2CCN(C(=O)C3CC3)CC2)CC1	REAL300025529689	1	53	0.0	-79.99	412.02	4.23	-75.76
COCC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529690	1	53	0.0	-84.28	414.75	2.90	-81.38
CCCC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529691	0	55	0.0	-80.37	423.53	4.28	-76.09
CC(C)C(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529692	1	55	0.0	-80.90	421.43	4.03	-76.87
NC(=O)C(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529693	1	50	0.0	-76.50	394.76	-1.24	-77.74
C=CCC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529694	0	53	0.0	-81.21	414.94	4.06	-77.15
O=C(CO)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529695	1	50	0.0	-85.66	392.50	0.62	-85.04
CC(O)C(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529696	1	53	0.0	-82.36	408.41	1.13	-81.23
C[C@@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529697	1	53	0.0	-82.48	408.33	1.11	-81.37
C[C@H](O)C(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529698	1	53	0.0	-85.69	409.71	1.15	-84.54
COCC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529699	1	53	0.0	-83.84	411.44	2.64	-81.20
CCCC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529700	1	55	0.0	-79.83	420.22	4.02	-75.81
CC(C)C(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529701	1	55	0.0	-80.22	417.94	3.75	-76.47
CCC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529702	1	52	0.0	-80.00	398.72	3.26	-76.74
CC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529703	1	49	0.0	-79.49	380.74	2.67	-76.82
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](C2CCN(C(=O)C3CC3)CC2)CC1	REAL300025529704	1	53	0.0	-79.21	412.02	4.25	-74.96
NC(=O)C(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529705	1	50	0.0	-76.11	394.83	-1.30	-77.41
O=C(CO)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529706	1	50	0.0	-85.19	389.19	0.36	-84.83
CC(O)C(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529707	1	53	0.0	-84.70	409.30	1.13	-83.57
CC(=O)C(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529708	1	51	0.0	-77.72	402.93	2.65	-75.07
CC=CC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529709	1	53	0.0	-79.14	414.55	4.08	-75.06
C[C@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529710	1	53	0.0	-81.32	408.38	1.13	-80.19
C=CCC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529711	1	53	0.0	-80.06	414.91	4.04	-76.02
N#CCC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529712	1	50	0.0	-91.52	398.18	2.94	-88.58
C[C@@H](O)C(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529713	1	53	0.0	-81.10	408.39	1.12	-79.98
C=CC(=O)N1CCC([NH+]2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529714	1	50	0.0	-79.03	392.80	3.21	-75.82
CC=CC(=O)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025529715	0	53	0.0	-79.69	414.57	4.10	-75.59
C[NH+](C)CC(=O)NCC1(C(C)(C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025529740	0	57	0.0	-53.51	430.33	3.73	-49.78
CC(C)(C)C1(CNC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025529745	0	51	0.0	-22.45	407.29	-0.67	-23.12
CC(C)(C)C1(CNC(=O)CSC2=NC(=O)NN2)CCN(C(=O)CN=[N+]=[N-])C1	REAL300025529804	0	51	0.0	-23.23	407.81	-0.60	-23.83
C[NH+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(C)(C)C)C1	REAL300025529811	0	57	0.0	-63.91	428.52	3.58	-60.33
COCCC1(NC(=O)C[NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025529897	0	52	0.0	-75.86	419.49	0.55	-75.31
COCCC1(NC(=O)CN=[N+]=[N-])CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025529903	0	46	0.0	-22.88	397.72	-3.90	-26.78
COCCC1(NC(=O)CSC2=NC(=O)NN2)CCN(C(=O)CN=[N+]=[N-])C1	REAL300025530077	0	46	0.0	-28.71	397.68	-3.91	-32.62
COCCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+](C)C)C1	REAL300025530099	0	52	0.0	-70.97	420.97	0.54	-70.43
COCCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C[NH+]2CCC2)C1	REAL300025530108	1	53	0.0	-71.28	429.45	1.11	-70.17
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300025530286	0	52	0.0	-74.87	404.45	3.33	-71.54
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300025530286	1	52	0.0	-50.00	392.11	3.87	-46.13
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL300025530310	1	53	0.0	-63.99	399.82	3.40	-60.59
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL300025530310	1	53	0.0	-74.46	409.71	2.91	-71.55
CC1=[NH+]C=CN1CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530449	1	50	0.0	-71.15	416.28	4.43	-66.72
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025530467	0	55	0.0	-82.20	420.07	3.75	-78.45
C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025530467	1	55	0.0	-77.72	419.39	3.93	-73.79
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL300025530487	0	55	0.0	-58.72	397.06	4.50	-54.22
CC(C)[C@@H](C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025530489	0	57	0.0	-64.58	412.80	4.98	-59.60
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL300025530498	0	55	0.0	-45.97	413.35	5.22	-40.75
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL300025530498	1	55	0.0	-68.61	430.37	4.86	-63.75
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300025530522	0	55	0.0	-82.75	425.35	4.20	-78.55
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300025530528	0	55	0.0	-47.17	411.43	4.87	-42.30
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300025530528	1	55	0.0	-42.82	403.21	4.63	-38.19
CC1=C[NH+]=CN1CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530545	1	50	0.0	-40.19	398.14	5.38	-34.81
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@H+](C)C1	REAL300025530555	0	55	0.0	-59.52	420.60	4.95	-54.57
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC[N@@H+](C)C1	REAL300025530555	1	55	0.0	-73.02	431.42	4.49	-68.53
CCC(C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025530558	0	54	0.0	-49.99	406.65	4.42	-45.57
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+](C)C	REAL300025530572	0	57	0.0	-80.38	451.09	4.96	-75.42
CC(C)C(C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025530575	0	57	0.0	-56.58	415.81	4.80	-51.78
CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530576	0	57	0.0	-78.50	447.31	4.79	-73.71
CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530576	1	57	0.0	-78.33	447.32	4.79	-73.54
CCC[N@H+](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530577	0	54	0.0	-73.95	424.94	4.20	-69.75
CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530577	1	54	0.0	-70.94	423.39	4.30	-66.64
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300025530592	0	52	0.0	-49.89	396.84	4.18	-45.71
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300025530592	1	52	0.0	-70.84	399.58	3.26	-67.58
CC[NH+](CC)CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530604	0	54	0.0	-47.52	409.71	5.02	-42.50
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL300025530658	0	55	0.0	-63.60	419.56	4.59	-59.01
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](C)CC1	REAL300025530680	0	55	0.0	-82.75	425.35	4.20	-78.55
CC(C)[C@H](C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025530695	0	57	0.0	-57.22	404.15	5.43	-51.79
CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530722	0	54	0.0	-77.67	425.81	4.06	-73.61
CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530722	1	54	0.0	-77.58	425.82	4.04	-73.54
CC1CCC[N@@H+]1CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530732	0	55	0.0	-71.19	430.92	4.53	-66.66
CC1CCC[N@H+]1CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530732	1	55	0.0	-67.61	429.26	4.55	-63.06
CC1CC[N@H+](CC(=O)N(C)C[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025530733	0	55	0.0	-73.15	434.06	4.55	-68.60
CC1CC[N@@H+](CC(=O)N(C)C[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025530733	1	55	0.0	-50.73	419.15	5.00	-45.73
CC[C@@H](C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025530735	0	54	0.0	-66.05	410.39	3.71	-62.34
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300025530771	0	48	0.0	-74.45	385.72	2.79	-71.66
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300025530772	0	50	0.0	-67.60	415.61	6.42	-61.18
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300025530775	0	55	0.0	-52.85	408.62	4.93	-47.92
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300025530775	1	55	0.0	-64.86	409.93	6.11	-58.75
CC(C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025530782	1	52	0.0	-72.44	402.57	3.29	-69.15
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300025530785	0	57	0.0	-52.34	398.03	5.10	-47.24
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300025530792	0	52	0.0	-71.80	416.75	4.23	-67.57
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300025530792	1	52	0.0	-70.85	415.26	4.13	-66.72
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300025530803	0	52	0.0	-46.36	399.80	3.92	-42.44
C[C@@H](C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025530815	0	51	0.0	-67.08	398.86	3.16	-63.92
CN(C[C@H]1CCCN1C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300025530822	0	42	0.0	-21.07	361.25	-1.53	-22.60
C[C@@H](C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025530853	0	51	0.0	-67.08	398.86	3.16	-63.92
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025530856	0	55	0.0	-70.32	425.56	4.29	-66.03
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300025530856	1	55	0.0	-57.29	397.17	4.36	-52.93
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300025530883	1	49	0.0	-46.67	377.11	3.53	-43.14
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300025530892	0	53	0.0	-79.91	422.67	4.35	-75.56
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300025530892	1	53	0.0	-79.95	422.66	4.33	-75.62
C[C@H](C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025530910	0	51	0.0	-49.14	387.91	3.69	-45.45
CC1C[NH+](CC(=O)N(C)C[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025530926	1	52	0.0	-48.44	399.57	4.22	-44.22
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CCO	REAL300025530939	1	52	0.0	-71.05	412.25	0.32	-70.73
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CCO	REAL300025530939	1	52	0.0	-74.81	413.76	0.23	-74.58
CC(CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025530951	0	57	0.0	-58.73	424.35	5.16	-53.57
CC[N@H+](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530953	0	51	0.0	-73.82	403.45	3.45	-70.37
CC[N@@H+](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530953	1	51	0.0	-70.32	402.00	3.54	-66.78
CC[N@H+](CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025530963	0	55	0.0	-48.92	423.57	5.35	-43.57
CC[N@@H+](CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025530963	1	55	0.0	-72.97	427.42	4.36	-68.61
CC[NH+](CC)CCC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025530969	0	57	0.0	-76.61	442.88	4.80	-71.81
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300025530977	1	55	0.0	-74.60	436.29	4.32	-70.28
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300025530984	0	52	0.0	-81.75	422.69	4.00	-77.75
CC(CCC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025531001	0	57	0.0	-73.20	437.41	4.65	-68.55
CC[N@@H+]1CCC1C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025531005	1	52	0.0	-68.12	409.26	3.53	-64.59
CC[N@H+]1CCC1C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025531005	1	52	0.0	-72.40	409.06	3.53	-68.87
C=CCC(C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025531026	0	55	0.0	-49.90	417.31	4.86	-45.04
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC2CC2C1	REAL300025531034	0	53	0.0	-74.43	420.55	4.60	-69.83
CCCC(C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025531039	0	57	0.0	-50.08	426.96	5.16	-44.92
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)[NH+](C)C	REAL300025531041	0	54	0.0	-61.39	383.63	4.18	-57.21
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL300025531051	0	55	0.0	-47.17	411.43	4.87	-42.30
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC[N@H+]1C	REAL300025531051	1	55	0.0	-42.82	403.21	4.63	-38.19
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300025531087	0	52	0.0	-68.86	406.20	3.51	-65.35
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCC1	REAL300025531088	0	55	0.0	-77.26	432.99	4.49	-72.77
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C	REAL300025531098	0	53	0.0	-68.35	410.07	4.05	-64.30
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C	REAL300025531098	1	53	0.0	-50.89	398.43	3.98	-46.91
CC(C[NH+](C)C)C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025531133	0	54	0.0	-65.30	420.43	3.97	-61.33
CC(C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025531153	0	55	0.0	-73.97	429.51	4.24	-69.73
CC1CC[N@@H+]1CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025531154	1	52	0.0	-70.10	415.64	3.98	-66.12
CC1CC[N@H+]1CC(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025531154	1	52	0.0	-68.80	416.08	3.95	-64.85
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025531185	0	55	0.0	-73.37	433.91	4.58	-68.79
CC(CC[NH+](C)C)C(=O)N(C)C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025531186	0	57	0.0	-71.62	442.18	4.59	-67.03
CN(C[C@H]1CCCN1C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531355	0	52	0.0	-67.73	403.33	3.39	-64.34
CN(C[C@H]1CCCN1C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531355	1	52	0.0	-66.74	407.34	3.81	-62.93
CN(C[C@H]1CCCN1C(=O)CC1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531529	0	55	0.0	-78.07	432.50	4.39	-73.68
CN(C[C@H]1CCCN1C(=O)CC1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531529	1	55	0.0	-72.80	431.40	4.51	-68.29
CCC(C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025531532	0	54	0.0	-69.33	412.72	3.67	-65.66
CN(C[C@H]1CCCN1C(=O)CCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531541	0	57	0.0	-80.07	451.27	4.93	-75.14
CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531544	0	57	0.0	-72.52	445.87	4.87	-67.65
CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531544	1	57	0.0	-72.62	445.87	4.88	-67.74
CCC[N@H+](C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531545	0	54	0.0	-73.65	425.14	4.19	-69.46
CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531545	1	54	0.0	-69.65	424.27	4.32	-65.33
CN(C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531575	0	55	0.0	-62.14	419.16	4.92	-57.22
CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531580	0	54	0.0	-77.26	426.01	4.02	-73.24
CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531580	1	54	0.0	-77.27	426.00	4.03	-73.24
CN(C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531595	0	55	0.0	-58.14	412.62	4.73	-53.41
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531633	0	55	0.0	-70.37	424.40	4.19	-66.18
CC1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531633	1	55	0.0	-70.82	429.38	4.40	-66.42
CC1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025531648	0	55	0.0	-68.68	430.45	4.54	-64.14
CC1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025531648	1	55	0.0	-72.96	430.32	4.50	-68.46
CC[C@@H](C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025531650	0	54	0.0	-48.45	388.53	3.81	-44.64
CC1=[NH+]C=CN1CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531684	1	50	0.0	-70.25	415.52	4.33	-65.92
CC1=C[NH+]=CN1CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531699	1	50	0.0	-73.14	414.25	5.08	-68.06
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025531700	0	55	0.0	-56.79	398.44	4.25	-52.54
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025531700	1	55	0.0	-70.23	424.58	4.43	-65.80
CN(C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531723	0	55	0.0	-71.68	431.15	4.74	-66.94
CN(C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531723	1	55	0.0	-71.18	432.02	4.76	-66.42
CN(C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531729	0	55	0.0	-58.14	412.62	4.73	-53.41
CN(C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531739	0	52	0.0	-71.60	410.41	3.71	-67.89
CN(C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531739	1	52	0.0	-72.31	404.50	3.29	-69.02
CC1C(C(=O)N2CCC[C@@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025531799	0	55	0.0	-71.28	426.04	4.44	-66.84
CC1C(C(=O)N2CCC[C@@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025531799	1	55	0.0	-74.15	420.77	3.85	-70.30
C[C@@H](C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025531833	0	51	0.0	-58.39	380.13	3.49	-54.90
CN(C[C@H]1CCCN1C(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531851	0	55	0.0	-76.99	433.10	4.49	-72.50
CN(C[C@H]1CCCN1C(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531856	1	52	0.0	-70.02	413.16	0.35	-69.67
CN(C[C@H]1CCCN1C(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531856	1	52	0.0	-74.53	413.94	0.26	-74.27
CC1C[NH+](CC(=O)N2CCC[C@@H]2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025531895	1	52	0.0	-74.28	415.81	3.85	-70.43
CC[N@H+](C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531920	0	51	0.0	-73.54	403.65	3.45	-70.09
CC[N@@H+](C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531920	1	51	0.0	-74.15	403.79	3.49	-70.66
CC(CCC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025531965	0	57	0.0	-75.77	442.99	4.55	-71.22
CC[N@H+](CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025531969	0	55	0.0	-70.28	434.31	4.83	-65.45
CC[N@@H+](CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025531969	1	55	0.0	-46.69	412.89	5.29	-41.40
CC(C[NH+](C)C)C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531988	0	54	0.0	-67.25	419.68	3.94	-63.31
C[C@H](C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025532000	0	51	0.0	-72.19	401.11	3.12	-69.07
CC[N@@H+]1CCC1C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532003	1	52	0.0	-74.65	418.12	3.69	-70.96
CC[N@H+]1CCC1C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532003	1	52	0.0	-66.96	408.92	3.50	-63.46
CN(C[C@H]1CCCN1C(=O)C1=C[NH+]=CC=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532013	0	48	0.0	-51.98	381.83	1.33	-50.65
CCCC(C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025532017	0	57	0.0	-49.53	412.59	4.64	-44.89
CC(CC[NH+](C)C)C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532027	0	57	0.0	-77.70	441.75	4.43	-73.27
CN(C[C@H]1CCCN1C(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532083	0	53	0.0	-74.34	421.14	4.71	-69.63
CN(C[C@H]1CCCN1C(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532090	0	55	0.0	-69.91	426.93	4.32	-65.59
CN(C[C@H]1CCCN1C(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532090	1	55	0.0	-67.96	414.13	4.00	-63.96
CN(C[C@H]1CCCN1C(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532109	0	53	0.0	-51.28	406.48	4.97	-46.31
CN(C[C@H]1CCCN1C(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532109	1	53	0.0	-73.88	421.98	4.43	-69.45
CN(C[C@H]1CCCN1C(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300025532114	0	42	0.0	-27.68	362.88	-1.62	-29.30
CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532127	0	52	0.0	-67.60	404.45	3.37	-64.23
CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532127	1	52	0.0	-72.02	409.80	3.63	-68.39
CN(C[C@H]1CCCN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532163	0	55	0.0	-75.46	435.01	4.49	-70.97
CN(C[C@H]1CCCN1C(=O)C[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532197	0	55	0.0	-74.25	428.03	4.71	-69.54
CN(C[C@H]1CCCN1C(=O)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532198	0	55	0.0	-47.16	408.72	4.62	-42.54
CN(C[C@H]1CCCN1C(=O)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532198	1	55	0.0	-75.80	425.43	4.05	-71.75
CN(C[C@H]1CCCN1C(=O)C[N+]1=CN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532199	0	50	0.0	-66.77	415.63	6.43	-60.34
CN(C[C@H]1CCCN1C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532208	0	52	0.0	-71.92	415.31	4.23	-67.69
CN(C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532208	1	52	0.0	-70.40	415.18	4.18	-66.22
CC(CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025532216	0	57	0.0	-78.58	442.87	4.85	-73.73
CN(C[C@H]1CCCN1C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532256	0	52	0.0	-76.77	416.98	3.65	-73.12
CN(C[C@H]1CCCN1C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532263	0	48	0.0	-74.31	385.79	2.80	-71.51
C[C@@H](C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025532271	0	51	0.0	-58.39	380.13	3.49	-54.90
CC(C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025532281	0	55	0.0	-66.64	431.68	4.41	-62.23
CC1CC[N@@H+]1CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532282	1	52	0.0	-71.84	411.69	3.58	-68.26
CC1CC[N@H+]1CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532282	1	52	0.0	-71.42	409.93	3.45	-67.97
CN(C[C@H]1CCCN1C(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532283	0	52	0.0	-81.85	422.46	4.02	-77.83
CN(C[C@H]1CCCN1C(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532286	1	55	0.0	-74.27	436.66	4.41	-69.86
CC[NH+](CC)CC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532299	0	54	0.0	-48.49	404.78	4.78	-43.71
CN(C[C@H]1CCCN1C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532304	1	49	0.0	-69.78	395.19	3.34	-66.44
CC[NH+](CC)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532318	0	57	0.0	-71.34	438.14	4.55	-66.79
CC(C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025532339	0	52	0.0	-66.99	410.76	3.73	-63.26
CN(C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532357	0	55	0.0	-70.14	426.40	4.37	-65.77
CN(C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532357	1	55	0.0	-67.96	414.12	4.01	-63.95
C=CCC(C(=O)N1CCC[C@@H]1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025532373	0	55	0.0	-43.43	405.41	4.55	-38.88
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(N)=[NH2+]	REAL300025532393	0	46	0.0	-79.03	393.51	-0.25	-79.28
CCC1C[NH+](CC(=O)N(C)C[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025532448	1	55	0.0	-75.56	438.17	4.59	-70.97
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025532452	0	52	0.0	-66.74	403.26	3.40	-63.34
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300025532452	1	52	0.0	-64.98	395.52	4.11	-60.87
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300025532459	0	55	0.0	-48.20	409.99	4.99	-43.21
CC1C(C(=O)N(C)C[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025532463	0	55	0.0	-78.49	421.07	4.01	-74.48
CC1C(C(=O)N(C)C[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025532463	1	55	0.0	-73.84	413.04	3.96	-69.88
C[N@@H+]1CCCC1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025532663	0	50	0.0	-70.25	413.70	-0.05	-70.30
C[N@H+]1CCCC1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025532663	1	50	0.0	-72.58	413.74	-0.05	-72.63
CC1=[NH+]C=CN1CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025532814	1	48	0.0	-69.07	423.20	0.94	-68.13
C[C@@H]1[C@H](C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025532832	0	53	0.0	-76.61	430.25	0.37	-76.24
C[C@@H]1[C@H](C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025532832	1	53	0.0	-72.85	435.78	0.90	-71.95
C[NH+](C)C1(C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025532849	0	53	0.0	-75.66	424.59	0.94	-74.72
C[N@H+](CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025532859	0	53	0.0	-69.85	439.99	1.31	-68.54
C[N@@H+](CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025532859	1	53	0.0	-71.00	439.86	1.37	-69.63
C[NH+]1CCC(C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025532880	0	53	0.0	-75.19	438.36	0.99	-74.20
C[N@@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025532886	0	53	0.0	-69.23	426.41	0.74	-68.49
C[N@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025532886	1	53	0.0	-70.80	426.41	0.82	-69.98
CC1=C[NH+]=CN1CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025532903	1	48	0.0	-72.97	422.45	1.70	-71.27
C[N@@H+]1CCC(CC(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025532912	0	53	0.0	-74.84	440.31	0.92	-73.92
C[N@H+]1CCC(CC(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025532912	1	53	0.0	-75.05	439.87	1.02	-74.03
CCC(C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025532915	0	52	0.0	-69.03	424.15	0.38	-68.65
CCC[N@H+](C)CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025532931	0	52	0.0	-71.93	433.00	0.74	-71.19
CCC[N@@H+](C)CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025532931	1	52	0.0	-72.70	432.97	0.80	-71.90
C[N@@H+]1CCC[C@@H]1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025532945	0	50	0.0	-71.02	413.74	-0.05	-71.07
C[N@H+]1CCC[C@@H]1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025532945	1	50	0.0	-69.46	420.08	0.38	-69.08
CC[NH+](CC)CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025532957	0	52	0.0	-70.16	425.34	0.48	-69.68
C[NH+](C)CC1(C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025533009	0	53	0.0	-74.50	445.42	1.08	-73.42
C[NH+]1CCC(C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025533030	0	53	0.0	-75.19	438.36	0.99	-74.20
CC[N@H+](C)CCC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533067	0	52	0.0	-74.41	433.84	0.62	-73.79
CC[N@@H+](C)CCC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533067	1	52	0.0	-73.31	433.85	0.62	-72.69
CC1CCC[N@@H+]1CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533075	0	53	0.0	-69.40	432.42	0.80	-68.60
CC1CCC[N@H+]1CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533075	1	53	0.0	-70.00	438.87	1.18	-68.82
CC1CC[N@H+](CC(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533076	0	53	0.0	-71.94	439.58	1.17	-70.77
CC1CC[N@@H+](CC(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533076	1	53	0.0	-71.98	439.09	1.16	-70.82
CC[C@@H](C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025533078	0	52	0.0	-70.37	424.16	0.32	-70.05
C[NH+](C)CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533109	0	46	0.0	-72.27	393.75	-0.61	-72.88
CN1C=C[N+](CC(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025533110	0	48	0.0	-70.65	424.97	2.91	-67.74
C[N@@H+]1CCCC(C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533113	0	53	0.0	-73.45	438.33	1.03	-72.42
C[N@H+]1CCCC(C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533113	1	53	0.0	-73.89	438.30	1.02	-72.87
CC(C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025533120	1	50	0.0	-70.50	423.74	0.33	-70.17
C[N@H+](CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025533128	0	50	0.0	-70.31	423.14	0.80	-69.51
C[N@@H+](CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025533128	1	50	0.0	-70.38	423.14	0.80	-69.58
C[NH+]1CC(CC(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533138	0	50	0.0	-73.45	425.20	0.22	-73.23
C[C@@H](C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025533149	0	49	0.0	-71.62	411.64	-0.19	-71.81
[N-]=[N+]=NCC(=O)NCCOC1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025533156	0	40	0.0	-25.85	370.74	-5.08	-30.93
C[C@@H](C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025533187	0	49	0.0	-71.62	411.64	-0.19	-71.81
C[N@@H+]1CCCC[C@@H]1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533190	0	53	0.0	-69.95	426.38	0.82	-69.13
C[N@H+]1CCCC[C@@H]1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533190	1	53	0.0	-68.27	435.69	0.99	-67.28
O=C(C[NH+]1CCC1)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533215	1	47	0.0	-72.78	403.84	-0.18	-72.96
C[N@@H+]1CCC(=CC(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533222	0	51	0.0	-76.96	432.56	0.95	-76.01
C[N@H+]1CCC(=CC(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533222	1	51	0.0	-76.41	432.59	0.86	-75.55
C[C@H](C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025533239	0	49	0.0	-70.75	411.87	-0.19	-70.94
CC1C[NH+](CC(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533253	1	50	0.0	-72.84	425.01	0.49	-72.35
C[N@H+](CCO)CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533266	1	50	0.0	-72.57	421.85	-3.24	-75.81
C[N@@H+](CCO)CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533266	1	50	0.0	-71.92	421.63	-3.24	-75.16
CC[N@H+](C)CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533278	0	49	0.0	-72.26	411.47	0.06	-72.20
CC[N@@H+](C)CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533278	1	49	0.0	-72.30	411.47	0.06	-72.24
CC[N@H+](CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025533288	0	53	0.0	-69.92	440.09	1.38	-68.54
CC[N@@H+](CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025533288	1	53	0.0	-69.73	440.11	1.42	-68.31
C[NH+](C)CC=CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533307	0	50	0.0	-76.34	429.72	0.61	-75.73
CC[N@@H+]1CCC1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533324	1	50	0.0	-70.07	418.54	0.04	-70.03
CC[N@H+]1CCC1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533324	1	50	0.0	-71.52	425.37	0.34	-71.18
C=CCC(C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025533343	0	53	0.0	-69.02	437.42	0.87	-68.15
O=C(C[NH+]1CC2CC2C1)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533350	0	51	0.0	-72.61	429.09	1.27	-71.34
C[NH+](C)C(C)(C)C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533355	0	52	0.0	-74.36	420.99	0.58	-73.78
C[N@@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533365	0	53	0.0	-69.23	426.41	0.74	-68.49
C[N@H+]1CCCCC1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533365	1	53	0.0	-70.80	426.41	0.82	-69.98
C[NH+](C)C1(C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025533397	0	50	0.0	-74.58	417.86	0.22	-74.36
O=C(CC[NH+]1CCCC1)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533398	0	53	0.0	-73.91	442.07	1.13	-72.78
C[N@@H+]1CC2CC1(C(=O)NCCOC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025533408	0	51	0.0	-73.00	425.82	0.54	-72.46
C[N@H+]1CC2CC1(C(=O)NCCOC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025533408	1	51	0.0	-75.48	425.34	0.50	-74.98
CC(C[NH+](C)C)C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533442	0	52	0.0	-67.45	431.95	0.77	-66.68
CC(C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025533461	1	53	0.0	-70.35	442.94	1.09	-69.26
CC1CC[N@@H+]1CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533462	1	50	0.0	-70.55	419.50	0.22	-70.33
CC1CC[N@H+]1CC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533462	1	50	0.0	-71.51	425.07	0.39	-71.12
C[NH+](C)[C@H]1C[C@H](C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533490	0	53	0.0	-74.54	443.28	1.04	-73.50
C[N@@H+]1CCCC1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533650	0	50	0.0	-71.80	419.05	0.27	-71.53
C[N@H+]1CCCC1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533650	1	50	0.0	-71.14	417.26	0.33	-70.81
C[N@@H+]1CCC(CC(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533817	0	53	0.0	-77.33	440.50	0.95	-76.38
C[N@H+]1CCC(CC(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533817	1	53	0.0	-77.82	440.03	0.99	-76.83
CCC(C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025533820	0	52	0.0	-71.38	424.13	0.26	-71.12
CCC[N@H+](C)CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533832	0	52	0.0	-74.15	432.97	0.78	-73.37
CCC[N@@H+](C)CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533832	1	52	0.0	-74.21	432.97	0.71	-73.50
C[NH+](C)CC1(C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025533868	0	53	0.0	-77.02	433.49	0.89	-76.13
CC[N@H+](C)CCC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533873	0	52	0.0	-75.32	433.85	0.52	-74.80
CC[N@@H+](C)CCC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533873	1	52	0.0	-75.41	433.87	0.54	-74.87
C[NH+]1CCC(C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025533895	0	53	0.0	-79.83	435.73	0.83	-79.00
C[NH+](C)C1(C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)CCC1	REAL300025533927	0	53	0.0	-74.35	423.83	0.61	-73.74
CC1CCC[N@@H+]1CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533949	0	53	0.0	-70.71	432.40	0.74	-69.97
CC1CCC[N@H+]1CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025533949	1	53	0.0	-70.58	432.41	0.67	-69.91
CC1CC[N@H+](CC(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533966	0	53	0.0	-73.07	439.96	1.02	-72.05
CC1CC[N@@H+](CC(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025533966	1	53	0.0	-72.02	439.10	1.00	-71.02
CC[C@@H](C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025533968	0	52	0.0	-71.56	424.10	0.31	-71.25
CC1=[NH+]C=CN1CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534003	1	48	0.0	-70.96	423.14	0.91	-70.05
CC1=C[NH+]=CN1CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534021	1	48	0.0	-74.58	423.50	1.64	-72.94
C[C@@H]1[C@H](C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025534022	0	53	0.0	-77.83	430.91	0.70	-77.13
C[C@@H]1[C@H](C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025534022	1	53	0.0	-73.53	435.19	0.91	-72.62
C[N@H+](CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025534049	0	53	0.0	-71.83	439.84	1.36	-70.47
C[N@@H+](CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CCC1	REAL300025534049	1	53	0.0	-72.31	439.97	1.30	-71.01
C[NH+]1CCC(C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025534054	0	53	0.0	-79.83	435.73	0.83	-79.00
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534066	0	50	0.0	-72.26	412.97	-0.21	-72.47
C[N@H+]1CCC[C@@H]1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534066	1	50	0.0	-71.14	415.07	0.25	-70.89
C[N@@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534106	0	53	0.0	-71.68	422.64	0.50	-71.18
C[N@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534106	1	53	0.0	-70.32	435.40	0.87	-69.45
CC1C(C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025534134	0	53	0.0	-75.38	431.69	0.47	-74.91
CC1C(C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025534134	1	53	0.0	-76.51	431.10	0.59	-75.92
C[C@@H](C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025534171	0	49	0.0	-73.55	411.14	-0.25	-73.80
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)CC[NH+]2CCCC2)C1	REAL300025534188	0	53	0.0	-74.79	442.10	1.04	-73.75
C[N@H+](CCO)CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534193	1	50	0.0	-75.14	421.82	-3.19	-78.33
C[N@@H+](CCO)CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534193	1	50	0.0	-74.45	421.61	-3.19	-77.64
CC1C[NH+](CC(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025534231	1	50	0.0	-74.51	425.03	0.46	-74.05
CC[N@H+](C)CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534260	0	49	0.0	-73.82	411.47	0.05	-73.77
CC[N@@H+](C)CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534260	1	49	0.0	-73.82	411.47	-0.03	-73.85
CC[N@H+](CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025534313	0	53	0.0	-69.51	442.34	1.33	-68.18
CC[N@@H+](CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025534313	1	53	0.0	-71.15	435.10	1.28	-69.87
C[N@@H+]1CC2CC1(C(=O)N1CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025534325	0	51	0.0	-76.68	417.90	0.53	-76.15
C[N@H+]1CC2CC1(C(=O)N1CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300025534325	1	51	0.0	-78.38	420.09	0.40	-77.98
CC(C[NH+](C)C)C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534334	0	52	0.0	-75.61	429.89	0.37	-75.24
C[NH+](C)C1(C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025534340	0	50	0.0	-75.40	419.22	0.29	-75.11
C[C@H](C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025534349	0	49	0.0	-72.45	411.95	-0.31	-72.76
CC[N@@H+]1CCC1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534352	1	50	0.0	-71.02	417.94	0.08	-70.94
CC[N@H+]1CCC1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534352	1	50	0.0	-73.76	425.34	0.41	-73.35
NC1=CC=[NH+]C=C1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534362	0	46	0.0	-75.98	399.79	-2.74	-78.72
C[NH+](C)C(C)(C)C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534368	0	52	0.0	-75.10	416.82	0.31	-74.79
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)C[NH+]2CC3CC3C2)C1	REAL300025534429	0	51	0.0	-74.07	429.46	1.25	-72.82
C[N@@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534435	0	53	0.0	-71.68	422.64	0.50	-71.18
C[N@H+]1CCCCC1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534435	1	53	0.0	-70.32	435.40	0.87	-69.45
C[N@@H+]1CCC(=CC(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025534456	0	51	0.0	-79.46	432.33	0.91	-78.55
C[N@H+]1CCC(=CC(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025534456	1	51	0.0	-79.14	432.50	0.82	-78.32
[N-]=[N+]=NCC(=O)N1CC(OCCNC(=O)CSC2=NC(=O)NN2)C1	REAL300025534463	0	40	0.0	-26.59	370.72	-5.03	-31.62
CCC1C[NH+](CC(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025534477	1	53	0.0	-74.09	446.41	1.23	-72.86
C[N@@H+]1CCC[C@H]1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534482	0	50	0.0	-71.31	418.16	0.26	-71.05
C[N@H+]1CCC[C@H]1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534482	1	50	0.0	-74.23	412.69	-0.13	-74.36
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025534515	0	53	0.0	-77.66	443.28	1.03	-76.63
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)C[NH+]2CCCCC2)C1	REAL300025534553	0	53	0.0	-73.58	435.47	1.17	-72.41
C[N@@H+]1CCCC(C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025534554	0	53	0.0	-68.20	429.42	0.97	-67.23
C[N@H+]1CCCC(C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025534554	1	53	0.0	-74.01	429.07	0.80	-73.21
CN1C=C[N+](CC(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300025534555	0	48	0.0	-70.99	424.98	2.88	-68.11
C[N@H+](CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025534565	0	50	0.0	-70.28	423.03	0.78	-69.50
C[N@@H+](CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025534565	1	50	0.0	-71.80	423.16	0.78	-71.02
C[NH+]1CC(CC(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025534614	0	50	0.0	-74.65	425.04	0.20	-74.45
C[NH+](C)CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534620	0	46	0.0	-73.65	393.75	-0.63	-74.28
C[C@@H](C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025534628	0	49	0.0	-73.55	411.14	-0.25	-73.80
CC(C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025534642	0	53	0.0	-72.08	440.13	0.83	-71.25
CC1CC[N@@H+]1CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534643	1	50	0.0	-71.96	419.44	0.20	-71.76
CC1CC[N@H+]1CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534643	1	50	0.0	-73.09	425.08	0.41	-72.68
C[NH+](C)CC=CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534645	0	50	0.0	-78.22	430.86	0.55	-77.67
CC1(C)C[NH+](CC(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025534649	1	53	0.0	-74.60	444.34	0.92	-73.68
CC[NH+](CC)CC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534661	0	52	0.0	-71.25	425.34	0.46	-70.79
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)C[NH+]2CCC2)C1	REAL300025534666	1	47	0.0	-73.15	403.75	-0.22	-73.37
CC(C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025534705	1	50	0.0	-71.05	415.73	0.03	-71.02
C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534726	0	53	0.0	-71.06	422.16	0.50	-70.56
C[N@H+]1CCCC[C@@H]1C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534726	1	53	0.0	-70.89	435.16	0.90	-69.99
C=CCC(C(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025534745	0	53	0.0	-72.42	439.08	0.98	-71.44
NC(=[NH2+])SCC(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534766	0	44	0.0	-73.46	401.67	-3.66	-77.12
CCC1C[NH+](CC(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025534815	1	53	0.0	-73.61	446.40	1.25	-72.36
C[N@@H+]1CCC[C@H]1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534819	0	50	0.0	-69.43	419.42	0.36	-69.07
C[N@H+]1CCC[C@H]1C(=O)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534819	1	50	0.0	-72.46	413.67	-0.04	-72.50
O=C(C[NH+]1CCCCC1)NCCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534825	0	53	0.0	-72.25	435.84	1.28	-70.97
CC1C(C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@@H+]1C	REAL300025534829	0	53	0.0	-72.50	434.90	0.55	-71.95
CC1C(C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC[N@H+]1C	REAL300025534829	1	53	0.0	-70.57	434.97	0.51	-70.06
C[N@@H+]1CCCC1C(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534961	0	53	0.0	-71.99	429.84	0.72	-71.27
C[N@H+]1CCCC1C(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025534961	1	53	0.0	-68.30	429.84	0.72	-67.58
C[N@@H+]1CCC[C@@H]1C(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535054	0	53	0.0	-72.33	428.95	0.72	-71.61
C[N@H+]1CCC[C@@H]1C(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535054	1	53	0.0	-66.28	436.12	1.25	-65.03
C[NH+](C)CC(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535129	0	49	0.0	-73.87	409.91	0.16	-73.71
CC(C(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025535133	1	53	0.0	-71.57	439.92	1.09	-70.48
C[N@H+](CC(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025535138	0	53	0.0	-66.83	439.29	1.58	-65.25
C[N@@H+](CC(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025535138	1	53	0.0	-66.87	439.29	1.58	-65.29
C[NH+]1CC(CC(=O)NCCOC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025535143	0	53	0.0	-75.35	441.35	0.98	-74.37
C[C@@H](C(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025535150	0	52	0.0	-67.78	427.79	0.58	-67.20
[N-]=[N+]=NCC(=O)NCCOC1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025535153	0	43	0.0	-25.52	386.88	-4.24	-29.76
C[C@@H](C(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025535170	0	52	0.0	-67.78	427.79	0.58	-67.20
O=C(C[NH+]1CCC1)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535182	1	50	0.0	-73.67	420.01	0.58	-73.09
C[C@H](C(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025535190	0	52	0.0	-71.68	428.05	0.58	-71.10
CC1C[NH+](CC(=O)NCCOC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025535196	1	53	0.0	-69.16	441.16	1.26	-67.90
CC[N@H+](C)CC(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535211	0	52	0.0	-68.66	427.62	0.83	-67.83
CC[N@@H+](C)CC(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535211	1	52	0.0	-68.62	427.62	0.84	-67.78
C[NH+](C)CC=CC(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535226	0	53	0.0	-78.74	447.14	1.41	-77.33
CC[N@@H+]1CCC1C(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535230	1	53	0.0	-66.79	434.66	0.90	-65.89
CC[N@H+]1CCC1C(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535230	1	53	0.0	-67.86	441.49	1.19	-66.67
C[NH+](C)C1(C(=O)NCCOC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025535259	0	53	0.0	-77.17	432.34	1.87	-75.30
CC1CC[N@@H+]1CC(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535282	1	53	0.0	-66.00	434.82	0.96	-65.04
CC1CC[N@H+]1CC(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535282	1	53	0.0	-67.96	441.17	1.25	-66.71
C[N@@H+]1CCCC1C(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535382	0	53	0.0	-71.46	431.31	0.86	-70.60
C[N@H+]1CCCC1C(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535382	1	53	0.0	-71.78	431.87	0.99	-70.79
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535532	0	53	0.0	-72.99	428.49	0.59	-72.40
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535532	1	53	0.0	-71.75	432.12	0.97	-70.78
C[C@@H](C(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025535583	0	52	0.0	-73.41	425.68	0.44	-72.97
CC1C[NH+](CC(=O)N2CCC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025535604	1	53	0.0	-74.82	438.97	1.23	-73.59
CC[N@H+](C)CC(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535621	0	52	0.0	-74.51	427.56	0.80	-73.71
CC[N@@H+](C)CC(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535621	1	52	0.0	-73.96	427.60	0.78	-73.18
C[NH+](C)C1(C(=O)N2CCC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025535647	0	53	0.0	-76.52	430.24	0.80	-75.72
C[C@H](C(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025535651	0	52	0.0	-73.59	425.76	0.43	-73.16
CC[N@@H+]1CCC1C(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535653	1	53	0.0	-74.06	441.47	1.07	-72.99
CC[N@H+]1CCC1C(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535653	1	53	0.0	-73.74	441.52	1.12	-72.62
[N-]=[N+]=NCC(=O)N1CCC(OCCNC(=O)CSC2=NC(=O)NN2)C1	REAL300025535698	0	43	0.0	-25.57	386.86	-4.29	-29.86
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535709	0	53	0.0	-70.54	432.39	0.93	-69.61
C[N@H+]1CCC[C@H]1C(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535709	1	53	0.0	-74.85	427.59	0.59	-74.26
C[N@H+](CC(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025535740	0	53	0.0	-71.31	439.10	1.53	-69.78
C[N@@H+](CC(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025535740	1	53	0.0	-72.34	439.24	1.54	-70.80
C[NH+]1CC(CC(=O)N2CCC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025535762	0	53	0.0	-75.90	441.13	0.96	-74.94
C[NH+](C)CC(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535765	0	49	0.0	-74.70	409.84	0.13	-74.57
C[C@@H](C(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025535768	0	52	0.0	-73.41	425.68	0.44	-72.97
CC1CC[N@@H+]1CC(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535775	1	53	0.0	-73.83	440.20	1.17	-72.66
CC1CC[N@H+]1CC(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535775	1	53	0.0	-72.98	441.20	1.21	-71.77
C[NH+](C)CC=CC(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535776	0	53	0.0	-79.30	445.13	1.29	-78.01
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CCN(C(=O)C[NH+]2CCC2)C1	REAL300025535782	1	50	0.0	-75.32	420.15	0.60	-74.72
CC(C(=O)N1CCC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025535799	1	53	0.0	-73.99	429.63	0.74	-73.25
C[N@@H+]1CCC[C@H]1C(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535853	0	53	0.0	-70.92	436.12	1.25	-69.67
C[N@H+]1CCC[C@H]1C(=O)NCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025535853	1	53	0.0	-68.30	429.93	0.72	-67.58
C[NH+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025535972	0	52	0.0	-75.04	396.49	2.58	-72.46
C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025535977	0	55	0.0	-72.91	414.16	2.98	-69.93
[N-]=[N+]=NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NC(=O)NN1	REAL300025535980	0	46	0.0	-22.97	373.62	-1.81	-24.78
C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025535990	0	55	0.0	-72.91	414.16	2.98	-69.93
O=C(C[NH+]1CCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025535998	1	53	0.0	-74.59	406.82	3.05	-71.54
C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025536003	0	55	0.0	-72.19	412.94	3.08	-69.11
CC[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025536015	0	55	0.0	-74.20	414.22	3.24	-70.96
CC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300025536015	1	55	0.0	-74.17	414.22	3.24	-70.93
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025536161	0	55	0.0	-71.65	409.91	2.80	-68.85
CC[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025536180	0	55	0.0	-73.04	414.82	3.15	-69.89
CC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025536180	1	55	0.0	-73.13	414.46	3.18	-69.95
C[C@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025536193	0	55	0.0	-71.00	407.57	2.71	-68.29
[N-]=[N+]=NCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CSC1=NC(=O)NN1)C2	REAL300025536218	0	46	0.0	-24.62	373.74	-1.88	-26.50
C[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025536249	0	52	0.0	-71.91	396.54	2.51	-69.40
C[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)C2)[NH+](C)C	REAL300025536252	0	55	0.0	-71.65	409.91	2.80	-68.85
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC1	REAL300025536259	1	53	0.0	-73.52	407.42	2.97	-70.55
C[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536397	0	55	0.0	-72.95	430.54	2.79	-70.16
C[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536397	1	55	0.0	-73.51	431.13	2.91	-70.60
CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025536497	0	57	0.0	-73.49	435.06	2.86	-70.63
CCC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536502	0	57	0.0	-76.89	444.01	3.24	-73.65
CCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536502	1	57	0.0	-76.95	444.07	3.25	-73.70
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536510	0	55	0.0	-75.77	424.59	2.42	-73.35
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536510	1	55	0.0	-73.51	430.98	2.93	-70.58
CC[NH+](CC)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536515	0	57	0.0	-74.96	440.88	3.20	-71.76
CC[N@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536571	0	57	0.0	-77.87	444.89	3.06	-74.81
CC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536571	1	57	0.0	-77.87	444.89	3.05	-74.82
CC[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025536574	0	57	0.0	-73.80	435.44	2.84	-70.96
C[NH+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536592	0	51	0.0	-77.09	404.78	1.84	-75.25
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+]1CCC1	REAL300025536596	1	55	0.0	-74.07	433.00	2.90	-71.17
C[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CC1	REAL300025536602	0	55	0.0	-73.83	434.06	3.24	-70.59
C[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CC1	REAL300025536602	1	55	0.0	-74.47	434.18	3.25	-71.22
C[NH+]1CC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025536608	0	55	0.0	-76.83	436.25	2.67	-74.16
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025536615	0	54	0.0	-75.29	422.89	2.23	-73.06
CC1(C)C(CNC(=O)CN=[N+]=[N-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300025536618	0	45	0.0	-25.34	381.76	-2.56	-27.90
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025536636	0	54	0.0	-75.29	422.89	2.23	-73.06
CC1(C)C(CNC(=O)C[NH+]2CCC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025536654	1	52	0.0	-76.92	414.92	2.27	-74.65
C[C@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025536665	0	54	0.0	-75.06	422.78	2.29	-72.77
CC1C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025536671	1	55	0.0	-77.39	434.90	3.00	-74.39
CC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536688	0	54	0.0	-76.49	422.51	2.50	-73.99
CC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536688	1	54	0.0	-76.49	422.53	2.51	-73.98
C[NH+](C)CC=CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536704	0	55	0.0	-79.98	440.81	3.05	-76.93
CC[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536710	1	55	0.0	-74.46	429.41	2.60	-71.86
CC[N@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536710	1	55	0.0	-75.74	436.39	2.86	-72.88
C[NH+](C)C(C)(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536723	0	57	0.0	-81.02	432.28	3.01	-78.01
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)CC1	REAL300025536745	0	55	0.0	-81.49	428.00	3.06	-78.43
CC(C[NH+](C)C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536767	0	57	0.0	-77.42	443.22	3.12	-74.30
CC1CC[N@@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536776	1	55	0.0	-74.57	430.64	2.65	-71.92
CC1CC[N@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536776	1	55	0.0	-75.64	436.16	2.92	-72.72
C[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536885	0	55	0.0	-72.13	423.42	2.30	-69.83
C[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536885	1	55	0.0	-71.01	423.37	2.29	-68.72
CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025536956	0	57	0.0	-71.57	433.76	2.81	-68.76
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536959	0	57	0.0	-72.81	444.01	3.20	-69.61
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536959	1	57	0.0	-72.67	444.09	3.20	-69.47
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536975	0	57	0.0	-74.71	444.94	3.02	-71.69
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025536975	1	57	0.0	-74.75	444.88	3.03	-71.72
CC[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025537000	0	57	0.0	-69.15	432.26	2.68	-66.47
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537037	0	55	0.0	-71.01	423.40	2.28	-68.73
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537037	1	55	0.0	-69.87	428.31	2.67	-67.20
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025537081	0	54	0.0	-70.85	421.29	2.18	-68.67
CC1C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025537105	1	55	0.0	-73.22	434.72	2.98	-70.24
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537121	0	54	0.0	-72.37	422.57	2.45	-69.92
CC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537121	1	54	0.0	-72.38	422.59	2.46	-69.92
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537146	0	57	0.0	-67.64	438.28	2.88	-64.76
C[C@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025537150	0	54	0.0	-71.77	420.96	2.12	-69.65
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537153	0	55	0.0	-72.44	436.08	2.72	-69.72
CC[N@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537153	1	55	0.0	-72.17	436.10	2.81	-69.36
CC1(C)C(CNC(=O)CSC2=NC(=O)NN2)CCN1C(=O)CN=[N+]=[N-]	REAL300025537200	0	45	0.0	-25.56	381.82	-2.61	-28.17
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537209	0	55	0.0	-69.20	428.16	2.60	-66.60
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537209	1	55	0.0	-70.86	423.12	2.33	-68.53
C[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CC1	REAL300025537239	0	55	0.0	-69.73	434.05	3.20	-66.53
C[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)C1CC1	REAL300025537239	1	55	0.0	-69.60	434.05	3.20	-66.40
C[NH+]1CC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C1	REAL300025537263	0	55	0.0	-74.32	436.29	2.64	-71.68
C[NH+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537266	0	51	0.0	-73.11	404.85	1.79	-71.32
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+](C)C	REAL300025537269	0	54	0.0	-70.85	421.29	2.18	-68.67
CC1CC[N@@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537274	0	55	0.0	-70.56	430.64	2.60	-67.96
CC1CC[N@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537274	1	55	0.0	-71.45	436.14	2.87	-68.58
C[NH+](C)CC=CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537275	0	55	0.0	-77.39	439.83	2.99	-74.40
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537281	0	57	0.0	-70.73	440.58	3.12	-67.61
CC1(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C[NH+]1CCC1	REAL300025537282	1	52	0.0	-72.97	414.74	2.25	-70.72
CC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C)[NH+]1CCC1	REAL300025537299	0	55	0.0	-73.08	425.37	2.46	-70.62
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537358	0	55	0.0	-73.40	430.90	2.88	-70.52
C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025537358	1	55	0.0	-75.62	424.65	2.41	-73.21
C[N@@H+]1CCCC1C(=O)NCC=C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025537514	0	53	0.0	-72.12	417.69	2.66	-69.46
C[N@H+]1CCCC1C(=O)NCC=C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025537514	1	53	0.0	-72.46	417.72	2.63	-69.83
CCC(C(=O)NCC=C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025537617	0	55	0.0	-68.63	427.85	3.12	-65.51
CCC[N@H+](C)CC(=O)NCC=C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025537622	0	55	0.0	-72.18	436.91	3.52	-68.66
CCC[N@@H+](C)CC(=O)NCC=C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025537622	1	55	0.0	-72.34	436.91	3.53	-68.81
C[N@@H+]1CCC[C@@H]1C(=O)NCC=C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025537630	0	53	0.0	-72.33	417.68	2.66	-69.67
C[N@H+]1CCC[C@@H]1C(=O)NCC=C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025537630	1	53	0.0	-68.52	424.15	3.11	-65.41
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CCC[N@H+](C)CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538101	0	55	0.0	-71.19	436.90	3.43	-67.76
CCC[N@@H+](C)CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538101	1	55	0.0	-71.32	436.90	3.43	-67.89
CC[N@H+](C)CCC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538118	0	55	0.0	-72.94	437.78	3.28	-69.66
CC[N@@H+](C)CCC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538118	1	55	0.0	-72.92	437.78	3.28	-69.64
CC[C@@H](C(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025538159	0	55	0.0	-67.88	423.20	2.88	-65.00
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538205	0	53	0.0	-69.57	416.17	2.53	-67.04
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C[C@@H](C(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025538260	0	52	0.0	-69.51	413.10	2.37	-67.14
C[N@H+](CCO)CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538270	1	53	0.0	-71.81	425.75	-0.55	-72.36
C[N@@H+](CCO)CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538270	1	53	0.0	-71.23	425.74	-0.53	-71.76
CC1C[NH+](CC(=O)N2CCC(=CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025538286	1	53	0.0	-71.24	428.96	3.11	-68.13
CC[N@H+](C)CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538304	0	52	0.0	-70.86	415.40	2.68	-68.18
CC[N@@H+](C)CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538304	1	52	0.0	-70.86	415.40	2.69	-68.17
CC(C[NH+](C)C)C(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538337	0	55	0.0	-75.79	435.71	3.15	-72.64
C[NH+](C)C1(C(=O)N2CCC(=CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300025538340	0	53	0.0	-70.83	417.18	2.26	-68.57
C[C@H](C(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025538344	0	52	0.0	-69.02	412.96	2.38	-66.64
CC[N@@H+]1CCC1C(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538347	0	53	0.0	-69.38	418.08	2.57	-66.81
CC[N@H+]1CCC1C(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538347	1	53	0.0	-70.07	428.59	3.00	-67.07
C[NH+](C)C(C)(C)C(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538356	0	55	0.0	-71.27	418.80	2.52	-68.75
[N-]=[N+]=NCC(=O)N1CCC(=CCNC(=O)CSC2=NC(=O)NN2)CC1	REAL300025538405	0	43	0.0	-24.22	374.64	-2.38	-26.60
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538418	0	53	0.0	-68.14	419.70	2.87	-65.27
C[N@H+]1CCC[C@H]1C(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538418	1	53	0.0	-69.60	416.00	2.58	-67.02
C[N@H+](CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025538455	0	53	0.0	-68.17	426.95	3.43	-64.74
C[N@@H+](CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)C1CC1	REAL300025538455	1	53	0.0	-68.78	427.08	3.43	-65.35
C[NH+]1CC(CC(=O)N2CCC(=CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300025538483	0	53	0.0	-72.84	428.96	2.89	-69.95
C[NH+](C)CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538486	0	49	0.0	-71.65	397.67	2.02	-69.63
C[C@@H](C(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+](C)C	REAL300025538489	0	52	0.0	-69.51	413.10	2.37	-67.14
CC1CC[N@@H+]1CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538498	0	53	0.0	-69.85	429.00	3.10	-66.75
CC1CC[N@H+]1CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538498	1	53	0.0	-68.98	424.01	2.91	-66.07
C[NH+](C)CC=CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538499	0	53	0.0	-76.07	433.83	3.29	-72.78
CC[NH+](CC)CC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538505	0	55	0.0	-69.16	433.33	3.36	-65.80
O=C(CSC1=NNC(=O)[N-]1)NCC=C1CCN(C(=O)C[NH+]2CCC2)CC1	REAL300025538506	1	50	0.0	-71.39	407.77	2.43	-68.96
CC(C(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1)[NH+]1CCC1	REAL300025538529	0	53	0.0	-68.40	423.02	2.84	-65.56
NC(=[NH2+])SCC(=O)NCC=C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538569	0	47	0.0	-74.24	405.60	-0.94	-75.18
C[N@@H+]1CCC[C@H]1C(=O)NCC=C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538601	0	53	0.0	-69.39	423.59	3.16	-66.23
C[N@H+]1CCC[C@H]1C(=O)NCC=C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025538601	1	53	0.0	-71.87	417.45	2.67	-69.20
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C1CCC[N@@H+]1C	REAL300025538747	0	53	0.0	-68.70	413.08	2.65	-66.05
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C1CCC[N@H+]1C	REAL300025538747	1	53	0.0	-67.09	420.42	2.99	-64.10
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300025538840	0	53	0.0	-68.24	421.01	2.31	-65.93
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)[C@H]1CCC[N@H+]1C	REAL300025538840	1	53	0.0	-68.84	416.32	1.94	-66.90
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C[NH+](C)C	REAL300025538915	0	49	0.0	-70.94	396.28	1.48	-69.46
CC(C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+]1CCC1	REAL300025538919	1	53	0.0	-69.36	423.05	2.38	-66.98
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C[N@H+](C)C1CC1	REAL300025538924	0	53	0.0	-67.95	427.21	2.76	-65.19
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C[N@@H+](C)C1CC1	REAL300025538924	1	53	0.0	-67.05	425.87	3.19	-63.86
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)CC1C[NH+](C)C1	REAL300025538929	0	53	0.0	-72.16	428.05	2.67	-69.49
C[C@@H](C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300025538936	0	52	0.0	-68.50	412.13	1.81	-66.69
CN(CC1CN(C(=O)CSC2=NC(=O)NN2)CCO1)C(=O)CN=[N+]=[N-]	REAL300025538939	0	43	0.0	-24.29	373.25	-2.91	-27.20
C[C@@H](C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300025538956	0	52	0.0	-68.50	412.13	1.81	-66.69
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C[NH+]1CCC1	REAL300025538968	1	50	0.0	-70.28	406.41	2.22	-68.06
C[C@H](C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)[NH+](C)C	REAL300025538976	0	52	0.0	-69.11	412.35	2.25	-66.86
CC1C[NH+](CC(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C1	REAL300025538982	1	53	0.0	-70.57	426.66	2.96	-67.61
CC[N@H+](C)CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025538997	0	52	0.0	-69.67	414.35	2.45	-67.22
CC[N@@H+](C)CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025538997	1	52	0.0	-70.06	414.31	2.11	-67.95
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C=CC[NH+](C)C	REAL300025539012	0	53	0.0	-75.69	431.71	3.06	-72.63
CC[N@@H+]1CCC1C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025539016	1	53	0.0	-70.47	427.81	2.21	-68.26
CC[N@H+]1CCC1C(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025539016	1	53	0.0	-67.79	420.10	2.40	-65.39
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C1([NH+](C)C)CC1	REAL300025539045	0	53	0.0	-74.53	417.70	2.20	-72.33
CC1CC[N@@H+]1CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025539068	1	53	0.0	-69.01	427.65	2.98	-66.03
CC1CC[N@H+]1CC(=O)N(C)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025539068	1	53	0.0	-68.66	427.61	3.00	-65.66
CN(CC1CN(C(=O)C2CCC[N@@H+]2C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539168	0	53	0.0	-72.04	414.38	2.40	-69.64
CN(CC1CN(C(=O)C2CCC[N@H+]2C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539168	1	53	0.0	-72.14	414.99	2.41	-69.73
CN(CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539318	0	53	0.0	-69.90	416.52	2.24	-67.66
CN(CC1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539318	1	53	0.0	-72.16	414.61	2.01	-70.15
C[C@@H](C(=O)N1CCOC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025539369	0	52	0.0	-70.13	412.41	1.85	-68.28
CC1C[NH+](CC(=O)N2CCOC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025539390	1	53	0.0	-73.93	427.87	2.89	-71.04
CC[N@H+](C)CC(=O)N1CCOC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025539407	0	52	0.0	-71.93	414.31	2.08	-69.85
CC[N@@H+](C)CC(=O)N1CCOC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025539407	1	52	0.0	-72.13	414.31	2.07	-70.06
CN(CC1CN(C(=O)C2([NH+](C)C)CC2)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539433	0	53	0.0	-73.20	419.29	2.51	-70.69
C[C@H](C(=O)N1CCOC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025539437	0	52	0.0	-72.16	411.99	2.10	-70.06
CC[N@@H+]1CCC1C(=O)N1CCOC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025539439	1	53	0.0	-72.08	427.14	2.32	-69.76
CC[N@H+]1CCC1C(=O)N1CCOC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025539439	1	53	0.0	-72.49	426.79	2.83	-69.66
CN(CC1CN(C(=O)CN=[N+]=[N-])CCO1)C(=O)CSC1=NC(=O)NN1	REAL300025539484	0	43	0.0	-25.01	374.76	-3.07	-28.08
CN(CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539495	0	53	0.0	-72.83	416.30	1.84	-70.99
CN(CC1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539495	1	53	0.0	-70.88	421.94	2.71	-68.17
CN(CC1CN(C(=O)C[N@H+](C)C2CC2)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539526	0	53	0.0	-69.73	425.66	2.87	-66.86
CN(CC1CN(C(=O)C[N@@H+](C)C2CC2)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539526	1	53	0.0	-70.87	425.87	3.19	-67.68
CN(CC1CN(C(=O)CC2C[NH+](C)C2)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539548	0	53	0.0	-75.36	427.35	2.25	-73.11
CN(CC1CN(C(=O)C[NH+](C)C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539551	0	49	0.0	-72.81	396.58	1.41	-71.40
C[C@@H](C(=O)N1CCOC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025539554	0	52	0.0	-70.13	412.41	1.85	-68.28
CC1CC[N@@H+]1CC(=O)N1CCOC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025539561	1	53	0.0	-71.45	421.83	2.68	-68.77
CC1CC[N@H+]1CC(=O)N1CCOC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025539561	1	53	0.0	-71.56	422.13	2.69	-68.87
CN(CC1CN(C(=O)C=CC[NH+](C)C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539562	0	53	0.0	-78.48	432.71	3.06	-75.42
CN(CC1CN(C(=O)C[NH+]2CCC2)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539568	1	50	0.0	-74.04	406.90	2.26	-71.78
CC(C(=O)N1CCOC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025539585	1	53	0.0	-71.27	417.11	2.37	-68.90
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025539639	0	53	0.0	-68.73	415.81	1.95	-66.78
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300025539639	1	53	0.0	-66.72	418.69	2.70	-64.02
C[NH+](C)CC(=O)NCC1C(C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025539758	0	52	0.0	-66.83	411.84	3.90	-62.93
C[C@@H](C(=O)NCC1C(C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025539763	0	55	0.0	-65.01	437.82	4.06	-60.95
[N-]=[N+]=NCC(=O)NCC1C(C2CC2)CCN1C(=O)CSC1=NC(=O)NN1	REAL300025539766	0	46	0.0	-25.02	393.11	-0.96	-25.98
C[C@@H](C(=O)NCC1C(C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025539776	0	55	0.0	-65.01	437.82	4.06	-60.95
O=C(C[NH+]1CCC1)NCC1C(C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025539784	1	53	0.0	-66.23	421.94	4.31	-61.92
C[C@H](C(=O)NCC1C(C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025539789	0	55	0.0	-63.17	429.83	4.26	-58.91
CC[N@H+](C)CC(=O)NCC1C(C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025539801	0	55	0.0	-66.70	428.56	4.42	-62.28
CC[N@@H+](C)CC(=O)NCC1C(C2CC2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025539801	1	55	0.0	-66.14	429.58	4.57	-61.57
C[C@@H](C(=O)N1CCC(C2CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025539939	0	55	0.0	-67.95	427.98	3.83	-64.12
CC[N@H+](C)CC(=O)N1CCC(C2CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025539957	0	55	0.0	-70.50	428.03	4.34	-66.16
CC[N@@H+](C)CC(=O)N1CCC(C2CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025539957	1	55	0.0	-69.40	433.69	4.00	-65.40
C[C@H](C(=O)N1CCC(C2CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025539966	0	55	0.0	-68.28	424.50	3.98	-64.30
[N-]=[N+]=NCC(=O)N1CCC(C2CC2)C1CNC(=O)CSC1=NC(=O)NN1	REAL300025539988	0	46	0.0	-24.93	393.10	-1.02	-25.95
C[NH+](C)CC(=O)N1CCC(C2CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025540013	0	52	0.0	-70.43	410.90	3.78	-66.65
C[C@@H](C(=O)N1CCC(C2CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025540016	0	55	0.0	-67.95	427.98	3.83	-64.12
O=C(CSC1=NNC(=O)[N-]1)NCC1C(C2CC2)CCN1C(=O)C[NH+]1CCC1	REAL300025540022	1	53	0.0	-70.14	430.28	3.98	-66.16
CC1CC(CNC(=O)C2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540224	0	52	0.0	-71.00	411.06	1.96	-69.04
CC1CC(CNC(=O)C2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540224	1	52	0.0	-67.40	418.78	2.51	-64.89
CC1CC(CNC(=O)C2C[N@H+](C)CCO2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540248	1	53	0.0	-79.10	429.80	1.89	-77.21
CC1CC(CNC(=O)C2C[N@@H+](C)CCO2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540248	1	53	0.0	-75.70	422.74	1.71	-73.99
CC1=[NH+]C=CN1CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540387	1	50	0.0	-66.76	421.69	3.08	-63.68
CC1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540405	0	55	0.0	-71.08	429.95	2.65	-68.43
CC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540405	1	55	0.0	-71.92	435.60	2.65	-69.27
CC1CC(CNC(=O)C2([NH+](C)C)CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540425	0	55	0.0	-65.83	426.20	3.06	-62.77
CC(C)[C@@H](C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025540427	0	57	0.0	-66.50	438.40	2.94	-63.56
CC1CC(CNC(=O)C[N@H+](C)C2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540436	0	55	0.0	-68.24	438.49	3.45	-64.79
CC1CC(CNC(=O)C[N@@H+](C)C2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540436	1	55	0.0	-67.68	438.36	3.45	-64.23
CC1CC(CNC(=O)C2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540460	0	55	0.0	-70.91	436.82	3.12	-67.79
CC1CC(CNC(=O)C2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540466	0	55	0.0	-65.93	434.25	3.06	-62.87
CC1CC(CNC(=O)C2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540466	1	55	0.0	-66.12	433.20	2.97	-63.15
CC1=C[NH+]=CN1CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540483	1	50	0.0	-70.17	420.97	3.75	-66.42
CC1CC(CNC(=O)CC2CC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540493	0	55	0.0	-70.81	438.60	3.06	-67.75
CC1CC(CNC(=O)CC2CC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540493	1	55	0.0	-70.90	439.12	3.08	-67.82
CCC(C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025540496	0	54	0.0	-68.91	423.49	2.35	-66.56
CC1CC(CNC(=O)CCCC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540510	0	57	0.0	-71.57	457.61	3.61	-67.96
CC(C)C(C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025540513	0	57	0.0	-66.71	437.00	2.96	-63.75
CCC[N@H+](C)CCC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540514	0	57	0.0	-71.46	454.38	3.38	-68.08
CCC[N@@H+](C)CCC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540514	1	57	0.0	-71.62	454.37	3.37	-68.25
CCC[N@H+](C)CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540515	0	54	0.0	-69.75	431.49	2.88	-66.87
CCC[N@@H+](C)CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540515	1	54	0.0	-69.85	431.49	2.87	-66.98
CC1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540530	0	52	0.0	-67.32	416.45	2.44	-64.88
CC1CC(CNC(=O)[C@H]2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540530	1	52	0.0	-67.75	412.32	2.00	-65.75
CC[NH+](CC)CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540542	0	54	0.0	-68.23	428.35	2.83	-65.40
CC1CC(CNC(=O)C2(C[NH+](C)C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540596	0	55	0.0	-68.86	441.78	3.28	-65.58
CC1CC(CNC(=O)C2CC[NH+](C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540618	0	55	0.0	-70.91	436.82	3.12	-67.79
CC(C)[C@H](C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025540633	0	57	0.0	-68.71	441.31	3.73	-64.98
CC[N@H+](C)CCC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540660	0	54	0.0	-70.83	432.87	2.64	-68.19
CC[N@@H+](C)CCC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540660	1	54	0.0	-71.02	432.87	2.63	-68.39
CC1CC(CNC(=O)C[N@@H+]2CCCC2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540670	0	55	0.0	-66.91	437.73	3.25	-63.66
CC1CC(CNC(=O)C[N@H+]2CCCC2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540670	1	55	0.0	-67.09	438.44	3.06	-64.03
CC1CC[N@H+](CC(=O)NCC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025540671	0	55	0.0	-68.95	438.72	3.05	-65.90
CC1CC[N@@H+](CC(=O)NCC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025540671	1	55	0.0	-68.96	437.92	3.16	-65.80
CC[C@@H](C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025540673	0	54	0.0	-67.07	423.43	2.41	-64.66
CC1CC(CNC(=O)C[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540709	0	48	0.0	-70.13	392.25	1.46	-68.67
CC1CC(CNC(=O)C[N+]2=CN(C)C=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540710	0	50	0.0	-68.71	424.01	4.93	-63.78
CC1CC(CNC(=O)C2CCC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540713	0	55	0.0	-65.76	429.43	3.23	-62.53
CC1CC(CNC(=O)C2CCC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540713	1	55	0.0	-70.01	436.83	3.07	-66.94
CC(C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025540720	1	52	0.0	-67.43	420.45	2.52	-64.91
CC1CC(CNC(=O)C(C)(C)C[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540723	0	57	0.0	-68.26	440.31	3.10	-65.16
CC1CC(CNC(=O)C[N@H+](C)C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540730	0	52	0.0	-67.84	422.18	2.81	-65.03
CC1CC(CNC(=O)C[N@@H+](C)C2CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540730	1	52	0.0	-67.67	422.04	2.81	-64.86
CC1CC(CNC(=O)CC2C[NH+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540741	0	52	0.0	-69.85	423.69	2.29	-67.56
C[C@@H](C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025540753	0	51	0.0	-67.98	410.88	1.80	-66.18
CC1CC(CNC(=O)CN=[N+]=[N-])CN1C(=O)CSC1=NC(=O)NN1	REAL300025540760	0	42	0.0	-24.17	369.21	-2.95	-27.12
C[C@@H](C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025540791	0	51	0.0	-67.98	410.88	1.80	-66.18
CC1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540794	0	55	0.0	-68.09	434.74	3.00	-65.09
CC1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540794	1	55	0.0	-67.25	425.33	2.86	-64.39
CC1CC(CNC(=O)C[NH+]2CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540821	1	49	0.0	-70.24	402.87	1.85	-68.39
CC1CC(CNC(=O)C=C2CC[N@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540830	0	53	0.0	-72.97	430.44	3.05	-69.92
CC1CC(CNC(=O)C=C2CC[N@@H+](C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540830	1	53	0.0	-73.28	430.41	2.97	-70.31
C[C@H](C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025540848	0	51	0.0	-67.65	410.42	1.86	-65.79
CC1C[NH+](CC(=O)NCC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025540864	1	52	0.0	-70.61	422.50	2.46	-68.15
CC1CC(CNC(=O)C[N@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540877	1	52	0.0	-70.56	420.34	-1.10	-71.66
CC1CC(CNC(=O)C[N@@H+](C)CCO)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540877	1	52	0.0	-69.63	420.12	-1.12	-70.75
CC(CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300025540889	0	57	0.0	-71.46	449.36	3.45	-68.01
CC[N@H+](C)CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540891	0	51	0.0	-69.34	409.99	2.14	-67.20
CC[N@@H+](C)CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540891	1	51	0.0	-69.46	409.99	2.13	-67.33
CC[N@H+](CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025540901	0	55	0.0	-66.88	441.37	3.44	-63.44
CC[N@@H+](CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025540901	1	55	0.0	-66.55	437.57	3.16	-63.39
CC[NH+](CC)CCC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540907	0	57	0.0	-69.90	445.85	3.10	-66.80
CC1CC(CNC(=O)C[NH+]2CC(C)(C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540915	1	55	0.0	-69.61	442.85	3.08	-66.53
CC1CC(CNC(=O)C=CC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540922	0	52	0.0	-72.94	430.00	2.66	-70.28
CC(CCC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025540939	0	57	0.0	-70.93	445.89	3.18	-67.75
CC[N@@H+]1CCC1C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540943	1	52	0.0	-67.50	415.86	2.02	-65.48
CC[N@H+]1CCC1C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025540943	1	52	0.0	-68.70	424.19	2.41	-66.29
C=CCC(C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025540964	0	55	0.0	-69.19	439.39	3.08	-66.11
CC1CC(CNC(=O)C[NH+]2CC3CC3C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540972	0	53	0.0	-69.36	426.79	3.31	-66.05
CCCC(C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025540977	0	57	0.0	-69.95	446.89	3.32	-66.63
CC1CC(CNC(=O)C(C)(C)[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540979	0	54	0.0	-72.57	420.47	2.52	-70.05
CC1CC(CNC(=O)C2CCCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540989	0	55	0.0	-65.93	434.25	3.06	-62.87
CC1CC(CNC(=O)C2CCCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540989	1	55	0.0	-66.12	433.20	2.97	-63.15
CC1CC(CNC(=O)C2([NH+](C)C)CC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025541025	0	52	0.0	-70.34	414.95	2.81	-67.53
CC1CC(CNC(=O)CC[NH+]2CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025541026	0	55	0.0	-70.81	440.37	3.08	-67.73
CC1CC(CNC(=O)C23CC(C2)C[N@@H+]3C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025541036	0	53	0.0	-69.66	423.34	2.52	-67.14
CC1CC(CNC(=O)C23CC(C2)C[N@H+]3C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025541036	1	53	0.0	-68.83	423.30	2.68	-66.15
CC(C[NH+](C)C)C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025541071	0	54	0.0	-65.33	430.45	2.81	-62.52
CC(C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CC(C)C1	REAL300025541091	1	55	0.0	-67.22	441.45	3.15	-64.07
CC1CC[N@@H+]1CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025541092	1	52	0.0	-67.49	418.06	2.28	-65.21
CC1CC[N@H+]1CC(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025541092	1	52	0.0	-68.55	424.10	2.48	-66.07
CC1CC(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025541123	0	55	0.0	-68.54	441.93	3.20	-65.34
CC(CC[NH+](C)C)C(=O)NCC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025541124	0	57	0.0	-70.93	452.81	3.30	-67.63
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@@H+]1C	REAL300025541293	0	52	0.0	-69.19	411.18	1.92	-67.27
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@H+]1C	REAL300025541293	1	52	0.0	-67.92	411.45	1.86	-66.06
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC[N@H+](C)C1	REAL300025541467	0	55	0.0	-71.49	438.58	2.99	-68.50
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1CC[N@@H+](C)C1	REAL300025541467	1	55	0.0	-71.69	439.27	2.95	-68.74
CCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025541470	0	54	0.0	-67.69	421.94	2.40	-65.29
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CCCC[NH+](C)C	REAL300025541479	0	57	0.0	-72.05	457.83	3.52	-68.53
CCC[N@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541482	0	57	0.0	-71.99	454.37	3.35	-68.64
CCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541482	1	57	0.0	-71.82	453.85	3.38	-68.44
CCC[N@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541483	0	54	0.0	-68.72	430.46	2.72	-66.00
CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541483	1	54	0.0	-69.96	432.02	2.78	-67.18
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1(C[NH+](C)C)CC1	REAL300025541513	0	55	0.0	-70.91	436.92	3.02	-67.89
CC[N@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541518	0	54	0.0	-71.18	432.34	2.64	-68.54
CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541518	1	54	0.0	-71.18	432.34	2.64	-68.54
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[NH+](C)CC1	REAL300025541533	0	55	0.0	-71.47	435.42	2.86	-68.61
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+]1CCCC1C	REAL300025541571	0	55	0.0	-66.58	431.15	2.73	-63.85
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+]1CCCC1C	REAL300025541571	1	55	0.0	-66.59	431.49	2.74	-63.85
CC1CC[N@H+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025541586	0	55	0.0	-67.76	436.27	3.09	-64.67
CC1CC[N@@H+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025541586	1	55	0.0	-67.56	436.51	3.02	-64.54
CC[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025541588	0	54	0.0	-67.65	421.35	2.37	-65.28
CC1=[NH+]C=CN1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541622	1	50	0.0	-66.96	422.23	2.98	-63.98
CC1=C[NH+]=CN1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541637	1	50	0.0	-69.87	422.55	3.71	-66.16
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300025541638	0	55	0.0	-72.09	427.30	2.32	-69.77
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300025541638	1	55	0.0	-72.05	434.88	2.56	-69.49
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)C1CCC1	REAL300025541661	0	55	0.0	-68.01	438.35	3.38	-64.63
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)C1CCC1	REAL300025541661	1	55	0.0	-67.81	439.01	3.34	-64.47
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[NH+](C)CC1	REAL300025541667	0	55	0.0	-71.47	435.42	2.86	-68.61
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCC[N@@H+]1C	REAL300025541677	0	52	0.0	-67.05	415.92	2.31	-64.74
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCC[N@H+]1C	REAL300025541677	1	52	0.0	-69.14	411.01	1.86	-67.28
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[N@H+](C)C1C	REAL300025541737	0	55	0.0	-70.02	429.34	2.31	-67.71
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CC[N@@H+](C)C1C	REAL300025541737	1	55	0.0	-69.53	433.51	2.57	-66.96
C[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025541771	0	51	0.0	-66.74	407.07	1.70	-65.04
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC[NH+]1CCCC1	REAL300025541789	0	55	0.0	-71.16	439.20	2.99	-68.17
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)CCO	REAL300025541794	1	52	0.0	-69.36	419.32	-1.25	-70.61
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)CCO	REAL300025541794	1	52	0.0	-68.64	419.10	-1.27	-69.91
CC1C[NH+](CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2C)C1	REAL300025541833	1	52	0.0	-70.02	422.83	2.53	-67.49
CC[N@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541858	0	51	0.0	-69.53	410.23	2.02	-67.51
CC[N@@H+](C)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541858	1	51	0.0	-69.52	410.52	2.04	-67.48
CC(CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025541903	0	57	0.0	-72.57	446.12	3.11	-69.46
CC[N@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300025541907	0	55	0.0	-66.14	440.85	3.43	-62.71
CC[N@@H+](CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)C1CC1	REAL300025541907	1	55	0.0	-66.02	437.58	3.11	-62.91
CC(C[NH+](C)C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541926	0	54	0.0	-68.24	432.87	2.41	-65.83
C[C@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025541938	0	51	0.0	-68.54	408.92	1.77	-66.77
CC[N@@H+]1CCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541941	0	52	0.0	-69.06	423.81	2.37	-66.69
CC[N@H+]1CCC1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541941	1	52	0.0	-67.43	415.79	1.98	-65.45
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=C[NH+]=CC=C1N	REAL300025541951	0	48	0.0	-68.33	399.89	-0.65	-68.98
CCCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025541955	0	57	0.0	-68.33	443.39	3.10	-65.23
CC(CC[NH+](C)C)C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025541965	0	57	0.0	-71.14	451.40	3.07	-68.07
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CC2CC2C1	REAL300025542021	0	53	0.0	-69.47	426.79	3.24	-66.23
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCCC[N@@H+]1C	REAL300025542028	0	55	0.0	-67.53	420.99	2.50	-65.03
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCCC[N@H+]1C	REAL300025542028	1	55	0.0	-66.95	433.12	2.99	-63.96
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=C1CC[N@H+](C)C1	REAL300025542047	0	53	0.0	-72.35	428.18	2.92	-69.43
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=C1CC[N@@H+](C)C1	REAL300025542047	1	53	0.0	-72.48	428.45	2.88	-69.60
CC1CC(CNC(=O)CSC2=NC(=O)NN2)CN1C(=O)CN=[N+]=[N-]	REAL300025542052	0	42	0.0	-25.69	369.44	-3.06	-28.75
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025542065	0	52	0.0	-68.02	411.36	1.87	-66.15
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@@H]1CCC[N@H+]1C	REAL300025542065	1	52	0.0	-65.96	412.76	2.18	-63.78
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300025542101	0	55	0.0	-70.59	440.64	3.10	-67.49
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCCCC1	REAL300025542135	0	55	0.0	-69.02	434.49	3.22	-65.80
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@H+](C)C1	REAL300025542136	0	55	0.0	-74.40	430.04	2.60	-71.80
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1CCC[N@@H+](C)C1	REAL300025542136	1	55	0.0	-64.40	427.23	3.08	-61.32
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N+]1=CN(C)C=C1	REAL300025542137	0	50	0.0	-68.19	423.49	4.91	-63.28
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@H+](C)C1CC1	REAL300025542146	0	52	0.0	-67.42	421.65	2.82	-64.60
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[N@@H+](C)C1CC1	REAL300025542146	1	52	0.0	-67.11	422.04	2.77	-64.34
CC(CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)C[NH+](C)C	REAL300025542154	0	57	0.0	-74.17	449.61	3.37	-70.80
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1C[NH+](C)C1	REAL300025542194	0	52	0.0	-70.74	423.91	2.21	-68.53
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+](C)C	REAL300025542201	0	48	0.0	-70.32	392.47	1.34	-68.98
C[C@@H](C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025542209	0	51	0.0	-66.74	407.07	1.70	-65.04
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CC(C)C1	REAL300025542219	0	55	0.0	-67.24	435.75	2.84	-64.40
CC1CC[N@@H+]1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025542220	0	52	0.0	-67.82	418.05	2.23	-65.59
CC1CC[N@H+]1CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025542220	1	52	0.0	-68.46	423.73	2.47	-65.99
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C=CC[NH+](C)C	REAL300025542221	0	52	0.0	-73.56	427.48	2.56	-71.00
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CC(C)(C)C1	REAL300025542224	1	55	0.0	-69.86	443.20	3.04	-66.82
CC[NH+](CC)CC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025542237	0	54	0.0	-68.00	424.06	2.42	-65.58
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C[NH+]1CCC1	REAL300025542242	1	49	0.0	-69.86	402.85	1.90	-67.96
CC[NH+](CC)CCC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300025542256	0	57	0.0	-70.28	450.42	3.29	-66.99
CC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+]1CCC1	REAL300025542277	0	52	0.0	-65.87	419.38	2.25	-63.62
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCCC[N@@H+]1C	REAL300025542295	0	55	0.0	-66.92	433.21	2.96	-63.96
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)[C@H]1CCCC[N@H+]1C	REAL300025542295	1	55	0.0	-68.53	424.60	2.70	-65.83
C=CCC(C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1C)[NH+](C)C	REAL300025542311	0	55	0.0	-67.16	434.72	2.80	-64.36
CC1CC(CNC(=O)CSC(N)=[NH2+])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025542331	0	46	0.0	-70.52	400.17	-1.58	-72.10
CCC1C[NH+](CC(=O)NCC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025542386	1	55	0.0	-70.87	445.41	3.26	-67.61
CC1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025542390	0	52	0.0	-69.69	412.56	2.03	-67.66
CC1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025542390	1	52	0.0	-66.77	418.20	2.48	-64.29
CC1CC(CNC(=O)C[NH+]2CCCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025542397	0	55	0.0	-69.08	434.35	3.35	-65.73
CC1CC(CNC(=O)C2CC[N@H+](C)C2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025542401	0	55	0.0	-68.44	434.48	2.92	-65.52
CC1CC(CNC(=O)C2CC[N@@H+](C)C2C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025542401	1	55	0.0	-69.36	430.20	2.59	-66.77
C[N@@H+]1CCCC1C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542608	0	48	0.0	-66.45	384.35	0.66	-65.79
C[N@H+]1CCCC1C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542608	1	48	0.0	-68.03	389.76	-0.28	-68.31
C[N@@H+]1CCOC(C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025542632	1	49	0.0	-76.15	399.94	-0.57	-76.72
C[N@H+]1CCOC(C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025542632	1	49	0.0	-69.27	400.00	-0.56	-69.83
CC1=[NH+]C=CN1CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542768	1	46	0.0	-66.78	399.16	0.78	-66.00
C[C@@H]1[C@H](C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)CC[N@@H+]1C	REAL300025542784	0	51	0.0	-73.29	406.38	0.15	-73.14
C[C@@H]1[C@H](C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)CC[N@H+]1C	REAL300025542784	1	51	0.0	-72.59	411.79	0.68	-71.91
C[N@H+](CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)C1CCC1	REAL300025542807	0	51	0.0	-65.89	410.91	2.19	-63.70
C[N@@H+](CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)C1CCC1	REAL300025542807	1	51	0.0	-66.10	410.61	2.09	-64.01
C[NH+]1CCC(C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)CC1	REAL300025542830	0	51	0.0	-71.76	405.78	1.73	-70.03
CC1=C[NH+]=CN1CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542845	1	46	0.0	-63.78	394.58	2.55	-61.23
C[N@@H+]1CCC(CC(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025542852	0	51	0.0	-70.69	410.89	1.69	-69.00
C[N@H+]1CCC(CC(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025542852	1	51	0.0	-68.17	411.11	1.80	-66.37
CCC(C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)[NH+](C)C	REAL300025542855	0	50	0.0	-65.57	394.58	1.15	-64.42
C[NH+](C)CCCCC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542866	0	53	0.0	-70.72	429.74	2.23	-68.49
CCC[N@H+](C)CCC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542869	0	53	0.0	-70.20	425.96	2.06	-68.14
CCC[N@@H+](C)CCC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542869	1	53	0.0	-70.13	425.96	2.07	-68.06
CCC[N@H+](C)CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542870	0	50	0.0	-67.45	404.05	1.61	-65.84
CCC[N@@H+](C)CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542870	1	50	0.0	-67.19	404.05	1.61	-65.58
C[N@@H+]1CCC[C@@H]1C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542882	0	48	0.0	-66.46	384.35	0.65	-65.81
C[N@H+]1CCC[C@@H]1C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542882	1	48	0.0	-67.01	394.79	0.21	-66.80
CC[NH+](CC)CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542890	0	50	0.0	-66.23	400.27	1.46	-64.77
C[NH+](C)CC1(C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)CC1	REAL300025542935	0	51	0.0	-70.47	420.33	1.01	-69.46
C[NH+]1CCC(C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)CC1	REAL300025542949	0	51	0.0	-71.76	405.78	1.73	-70.03
CC[N@H+](C)CCC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542974	0	50	0.0	-72.41	409.83	0.37	-72.04
CC[N@@H+](C)CCC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542974	1	50	0.0	-69.48	404.46	1.31	-68.17
CC1CCC[N@@H+]1CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542982	0	51	0.0	-65.13	409.60	1.88	-63.25
CC1CCC[N@H+]1CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025542982	1	51	0.0	-64.60	403.04	1.47	-63.13
CC1CC[N@H+](CC(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025542983	0	51	0.0	-67.10	410.48	1.84	-65.26
CC1CC[N@@H+](CC(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025542983	1	51	0.0	-67.10	410.05	1.95	-65.15
CC[C@@H](C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)[NH+](C)C	REAL300025542985	0	50	0.0	-68.06	400.38	0.17	-67.89
C[NH+](C)CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543013	0	44	0.0	-70.99	369.73	-0.83	-71.82
CN1C=C[N+](CC(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)=C1	REAL300025543014	0	46	0.0	-66.17	395.61	3.61	-62.56
C[N@@H+]1CCCC(C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025543017	0	51	0.0	-61.79	403.18	2.03	-59.76
C[N@H+]1CCCC(C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025543017	1	51	0.0	-68.90	408.99	1.72	-67.18
CC(C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)[NH+]1CCC1	REAL300025543023	1	48	0.0	-65.66	393.32	1.00	-64.66
C[N@H+](CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)C1CC1	REAL300025543032	0	48	0.0	-65.23	393.63	1.50	-63.73
C[N@@H+](CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)C1CC1	REAL300025543032	1	48	0.0	-65.25	393.63	1.50	-63.75
C[NH+]1CC(CC(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025543041	0	48	0.0	-69.40	395.82	0.93	-68.47
C[C@@H](C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)[NH+](C)C	REAL300025543053	0	47	0.0	-64.29	382.69	0.62	-63.67
[N-]=[N+]=NCC(=O)NC1C2OCCN(C(=O)CSC3=NC(=O)NN3)C12	REAL300025543060	0	38	0.0	-24.34	341.32	-4.29	-28.63
C[C@@H](C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)[NH+](C)C	REAL300025543086	0	47	0.0	-64.29	382.69	0.62	-63.67
C[N@@H+]1CCCC[C@@H]1C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543089	0	51	0.0	-67.60	402.38	0.59	-67.01
C[N@H+]1CCCC[C@@H]1C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543089	1	51	0.0	-66.23	404.36	1.70	-64.53
C[N@@H+]1CCC(=CC(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025543120	0	49	0.0	-74.63	408.52	0.72	-73.91
C[N@H+]1CCC(=CC(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025543120	1	49	0.0	-72.25	402.26	1.68	-70.57
C[C@H](C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)[NH+](C)C	REAL300025543135	0	47	0.0	-66.25	382.36	0.51	-65.74
CC1C[NH+](CC(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025543150	1	48	0.0	-67.96	394.90	1.37	-66.59
C[N@H+](CCO)CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543162	1	48	0.0	-69.03	392.91	-2.36	-71.39
C[N@@H+](CCO)CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543162	1	48	0.0	-71.22	397.56	-3.40	-74.62
CC(CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)C[NH+](C)C	REAL300025543172	0	53	0.0	-70.21	421.56	2.10	-68.11
CC[N@H+](C)CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543174	0	47	0.0	-67.10	382.55	0.87	-66.23
CC[N@@H+](C)CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543174	1	47	0.0	-66.83	382.55	0.88	-65.95
CC[N@H+](CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)C1CC1	REAL300025543183	0	51	0.0	-64.52	413.59	2.16	-62.36
CC[N@@H+](CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)C1CC1	REAL300025543183	1	51	0.0	-65.10	410.74	2.08	-63.02
CC[NH+](CC)CCC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543188	0	53	0.0	-71.51	427.68	1.09	-70.42
C[NH+](C)CC=CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543201	0	48	0.0	-72.22	401.60	1.36	-70.86
CC(CCC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)[NH+](C)C	REAL300025543214	0	53	0.0	-70.33	417.50	1.80	-68.53
CC[N@@H+]1CCC1C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543218	1	48	0.0	-66.40	389.37	0.86	-65.54
CC[N@H+]1CCC1C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543218	1	48	0.0	-67.02	396.03	1.07	-65.95
C=CCC(C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)[NH+](C)C	REAL300025543236	0	51	0.0	-66.56	411.52	1.75	-64.81
O=C(C[NH+]1CC2CC2C1)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543243	0	49	0.0	-68.25	400.15	2.09	-66.16
CCCC(C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)[NH+](C)C	REAL300025543247	0	53	0.0	-67.06	419.64	2.01	-65.05
C[N@@H+]1CCCCC1C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543257	0	51	0.0	-69.19	402.38	0.59	-68.60
C[N@H+]1CCCCC1C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543257	1	51	0.0	-68.01	411.67	0.77	-67.24
O=C(CC[NH+]1CCCC1)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543289	0	51	0.0	-71.91	418.06	0.90	-71.01
CC(C[NH+](C)C)C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543323	0	50	0.0	-69.24	400.29	1.28	-67.96
CC(C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12)[NH+]1CC(C)C1	REAL300025543342	1	51	0.0	-65.27	413.12	1.77	-63.50
CC1CC[N@@H+]1CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543343	1	48	0.0	-68.40	395.43	-0.02	-68.42
CC1CC[N@H+]1CC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543343	1	48	0.0	-64.89	391.20	1.09	-63.80
C[NH+](C)[C@H]1C[C@H](C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)C1	REAL300025543370	0	51	0.0	-68.81	413.91	1.82	-66.99
CC(CC[NH+](C)C)C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025543371	0	53	0.0	-69.78	421.65	1.90	-67.88
C[N@@H+]1CCCC1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543536	0	48	0.0	-72.31	392.60	-0.08	-72.39
C[N@H+]1CCCC1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543536	1	48	0.0	-71.94	388.19	-0.39	-72.33
C[N@@H+]1CCC(CC(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025543710	0	51	0.0	-75.41	410.72	1.68	-73.73
C[N@H+]1CCC(CC(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025543710	1	51	0.0	-75.15	411.03	1.67	-73.48
CCC(C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025543713	0	50	0.0	-62.65	391.19	0.93	-61.72
C[NH+](C)CCCCC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543722	0	53	0.0	-69.52	430.19	2.29	-67.23
CCC[N@H+](C)CCC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543725	0	53	0.0	-77.87	431.30	1.08	-76.79
CCC[N@@H+](C)CCC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543725	1	53	0.0	-77.76	431.30	1.09	-76.67
CCC[N@H+](C)CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543726	0	50	0.0	-64.32	404.02	1.52	-62.80
CCC[N@@H+](C)CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543726	1	50	0.0	-75.39	408.93	0.46	-74.93
C[NH+](C)CC1(C(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC1	REAL300025543756	0	51	0.0	-71.28	412.33	1.59	-69.69
CC[N@H+](C)CCC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543761	0	50	0.0	-77.08	409.80	0.33	-76.75
CC[N@@H+](C)CCC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543761	1	50	0.0	-75.69	404.46	1.29	-74.40
C[NH+]1CCC(C(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC1	REAL300025543776	0	51	0.0	-67.56	404.93	1.50	-66.06
CC1CCC[N@@H+]1CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543814	0	51	0.0	-72.22	415.11	0.86	-71.36
CC1CCC[N@H+]1CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543814	1	51	0.0	-72.57	414.90	0.86	-71.71
CC1CC[N@H+](CC(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025543829	0	51	0.0	-73.83	415.98	0.74	-73.09
CC1CC[N@@H+](CC(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025543829	1	51	0.0	-74.24	410.51	1.77	-72.47
CC[C@@H](C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025543831	0	50	0.0	-70.70	395.37	-0.07	-70.77
CC1=[NH+]C=CN1CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543865	1	46	0.0	-60.31	394.26	1.73	-58.58
CC1=C[NH+]=CN1CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543880	1	46	0.0	-74.86	398.42	1.36	-73.50
C[C@@H]1[C@H](C(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC[N@@H+]1C	REAL300025543881	0	51	0.0	-75.58	399.42	1.32	-74.26
C[C@@H]1[C@H](C(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC[N@H+]1C	REAL300025543881	1	51	0.0	-75.74	405.75	1.24	-74.50
C[N@H+](CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CCC1	REAL300025543904	0	51	0.0	-61.59	411.04	2.08	-59.51
C[N@@H+](CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CCC1	REAL300025543904	1	51	0.0	-63.31	410.95	2.09	-61.22
C[NH+]1CCC(C(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC1	REAL300025543910	0	51	0.0	-67.56	404.93	1.50	-66.06
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543920	0	48	0.0	-75.29	388.15	-0.40	-75.69
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025543920	1	48	0.0	-61.21	387.26	0.97	-60.24
CC1C(C(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC[N@@H+]1C	REAL300025543980	0	51	0.0	-70.76	400.18	1.37	-69.39
CC1C(C(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)CC[N@H+]1C	REAL300025543980	1	51	0.0	-61.22	402.60	1.18	-60.04
C[C@@H](C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025544014	0	47	0.0	-64.53	379.11	0.42	-64.11
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)CC[NH+]3CCCC3)C12	REAL300025544032	0	51	0.0	-75.10	412.68	1.80	-73.30
C[N@H+](CCO)CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544037	1	48	0.0	-66.62	392.90	-2.47	-69.09
C[N@@H+](CCO)CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544037	1	48	0.0	-63.84	392.88	-2.44	-66.28
CC1C[NH+](CC(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025544076	1	48	0.0	-75.25	394.45	1.16	-74.09
CC[N@H+](C)CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544101	0	47	0.0	-75.03	387.43	-0.25	-75.28
CC[N@@H+](C)CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544101	1	47	0.0	-64.22	382.55	0.76	-63.46
CC(CCC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025544146	0	53	0.0	-65.80	422.05	1.90	-63.90
CC[N@H+](CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025544150	0	51	0.0	-60.46	413.44	2.15	-58.31
CC[N@@H+](CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025544150	1	51	0.0	-71.85	410.36	2.04	-69.81
CC(C[NH+](C)C)C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544169	0	50	0.0	-67.72	398.83	1.09	-66.63
C[C@H](C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025544181	0	47	0.0	-73.84	385.88	-0.55	-74.39
CC[N@@H+]1CCC1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544184	1	48	0.0	-72.53	392.71	-0.27	-72.80
CC[N@H+]1CCC1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544184	1	48	0.0	-72.10	387.13	0.62	-71.48
NC1=CC=[NH+]C=C1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544194	0	44	0.0	-63.38	376.11	-1.97	-65.35
CCCC(C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025544198	0	53	0.0	-64.71	413.57	1.76	-62.95
CC(CC[NH+](C)C)C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544208	0	53	0.0	-68.54	420.46	1.71	-66.83
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)C[NH+]3CC4CC4C3)C12	REAL300025544264	0	49	0.0	-75.20	404.24	0.90	-74.30
C[N@@H+]1CCCCC1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544271	0	51	0.0	-56.18	403.72	1.63	-54.55
C[N@H+]1CCCCC1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544271	1	51	0.0	-69.72	404.77	1.57	-68.15
C[N@@H+]1CCC(=CC(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025544290	0	49	0.0	-77.24	406.73	0.65	-76.59
C[N@H+]1CCC(=CC(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025544290	1	49	0.0	-78.82	406.64	0.67	-78.15
[N-]=[N+]=NCC(=O)N1CCOC2C(NC(=O)CSC3=NC(=O)NN3)C21	REAL300025544295	1	38	0.0	-25.45	341.79	-4.29	-29.74
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544308	0	48	0.0	-72.51	395.75	0.04	-72.47
C[N@H+]1CCC[C@H]1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544308	1	48	0.0	-68.34	383.30	0.62	-67.72
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025544344	0	51	0.0	-60.98	413.98	1.84	-59.14
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)C[NH+]3CCCCC3)C12	REAL300025544378	0	51	0.0	-74.89	411.77	0.95	-73.94
C[N@@H+]1CCCC(C(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025544379	0	51	0.0	-78.51	406.61	1.40	-77.11
C[N@H+]1CCCC(C(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025544379	1	51	0.0	-68.25	398.35	1.55	-66.70
CN1C=C[N+](CC(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)=C1	REAL300025544380	0	46	0.0	-61.00	396.06	3.63	-57.37
C[N@H+](CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025544389	0	48	0.0	-71.83	393.63	1.42	-70.41
C[N@@H+](CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C1CC1	REAL300025544389	1	48	0.0	-72.55	399.09	0.50	-72.05
CC(CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)C[NH+](C)C	REAL300025544397	0	53	0.0	-65.59	422.02	2.15	-63.44
C[NH+]1CC(CC(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025544437	0	48	0.0	-75.31	401.14	-0.04	-75.35
C[NH+](C)CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544444	0	44	0.0	-65.12	364.80	0.09	-65.03
C[C@@H](C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025544452	0	47	0.0	-64.53	379.11	0.42	-64.11
CC(C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+]1CC(C)C1	REAL300025544462	1	51	0.0	-63.22	408.08	1.54	-61.68
CC1CC[N@@H+]1CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544463	1	48	0.0	-62.35	390.61	0.93	-61.42
CC1CC[N@H+]1CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544463	1	48	0.0	-73.13	395.68	1.09	-72.04
C[NH+](C)CC=CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544464	0	48	0.0	-69.72	401.35	1.38	-68.34
CC1(C)C[NH+](CC(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)C1	REAL300025544467	1	51	0.0	-64.23	415.21	1.69	-62.54
CC[NH+](CC)CC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544480	0	50	0.0	-63.20	396.04	1.19	-62.01
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)C[NH+]3CCC3)C12	REAL300025544485	1	45	0.0	-64.40	374.91	0.54	-63.86
CC[NH+](CC)CCC(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544499	0	53	0.0	-66.07	418.41	1.81	-64.26
CC(C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+]1CCC1	REAL300025544520	1	48	0.0	-64.38	392.49	1.05	-63.33
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544538	0	51	0.0	-72.45	396.72	1.31	-71.14
C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21	REAL300025544538	1	51	0.0	-64.44	405.06	1.69	-62.75
C=CCC(C(=O)N1CCOC2C(NC(=O)CSC3=NNC(=O)[N-]3)C21)[NH+](C)C	REAL300025544554	0	51	0.0	-61.87	404.90	1.46	-60.41
NC(=[NH2+])SCC(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025544574	0	42	0.0	-69.12	372.30	-2.95	-72.07
C[N@@H+]1CCC[C@H]1C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025544624	0	48	0.0	-67.07	395.39	0.10	-66.97
C[N@H+]1CCC[C@H]1C(=O)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025544624	1	48	0.0	-66.98	383.55	0.66	-66.32
O=C(C[NH+]1CCCCC1)NC1C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C12	REAL300025544631	0	51	0.0	-67.24	406.10	1.98	-65.26
CC1C(C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)CC[N@@H+]1C	REAL300025544634	0	51	0.0	-68.69	410.98	0.40	-68.29
CC1C(C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)CC[N@H+]1C	REAL300025544634	1	51	0.0	-65.90	402.67	1.41	-64.49
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2(C1)CCOCC2	REAL300025544703	0	53	0.0	-74.90	407.50	1.21	-73.69
[N-]=[N+]=NCC(=O)NC1CN(C(=O)CSC2=NC(=O)NN2)C2(C1)CCOCC2	REAL300025544708	0	47	0.0	-25.17	384.49	-3.19	-28.36
[N-]=[N+]=NCC(=O)N1CC(NC(=O)CSC2=NC(=O)NN2)CC12CCOCC2	REAL300025544763	0	47	0.0	-23.68	379.92	-3.12	-26.80
C[NH+](C)CC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC12CCOCC2	REAL300025544769	0	53	0.0	-70.43	406.96	1.06	-69.37
C[N@@H+]1CCCC1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025544937	0	52	0.0	-64.13	411.13	3.02	-61.11
C[N@H+]1CCCC1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025544937	1	52	0.0	-64.63	405.35	2.55	-62.08
C[N@@H+]1CCOC(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025544961	1	53	0.0	-61.14	415.79	2.38	-58.76
C[N@H+]1CCOC(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025544961	1	53	0.0	-79.18	415.79	2.37	-76.81
CC1=[NH+]C=CN1CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545100	1	50	0.0	-66.54	413.95	3.59	-62.95
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025545118	0	55	0.0	-70.02	421.62	2.97	-67.05
C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025545118	1	55	0.0	-66.72	427.70	3.60	-63.12
C[NH+](C)C1(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025545138	0	55	0.0	-54.70	405.31	4.31	-50.39
CC(C)[C@@H](C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025545140	0	57	0.0	-51.42	421.13	4.54	-46.88
C[N@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025545149	0	55	0.0	-66.31	431.53	4.04	-62.27
C[N@@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025545149	1	55	0.0	-65.30	431.67	4.08	-61.22
C[NH+]1CCC(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025545173	0	55	0.0	-75.67	430.15	3.77	-71.90
C[N@@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545179	0	55	0.0	-61.98	427.42	3.65	-58.33
C[N@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545179	1	55	0.0	-68.28	427.34	3.61	-64.67
CC1=C[NH+]=CN1CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545196	1	50	0.0	-65.91	415.30	4.43	-61.48
C[N@@H+]1CCC(CC(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025545206	0	55	0.0	-72.34	432.34	3.62	-68.72
C[N@H+]1CCC(CC(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025545206	1	55	0.0	-73.89	431.95	3.69	-70.20
CCC(C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025545209	0	54	0.0	-63.08	415.81	3.08	-60.00
C[NH+](C)CCCCC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545223	0	57	0.0	-73.41	450.87	4.12	-69.29
CC(C)C(C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025545226	0	57	0.0	-51.36	421.88	4.55	-46.81
CCC[N@H+](C)CCC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545227	0	57	0.0	-70.71	447.28	4.07	-66.64
CCC[N@@H+](C)CCC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545227	1	57	0.0	-71.00	447.28	4.06	-66.94
CCC[N@H+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545228	0	54	0.0	-68.04	424.66	3.48	-64.56
CCC[N@@H+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545228	1	54	0.0	-67.92	424.84	3.49	-64.43
C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545243	0	52	0.0	-71.94	405.35	2.42	-69.52
C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545243	1	52	0.0	-66.79	411.84	3.04	-63.75
CC[NH+](CC)CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545255	0	54	0.0	-66.64	416.59	3.01	-63.63
C[NH+](C)CC1(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025545309	0	55	0.0	-50.99	419.20	4.42	-46.57
C[NH+]1CCC(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025545331	0	55	0.0	-75.67	430.15	3.77	-71.90
CC(C)[C@H](C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025545346	0	57	0.0	-69.93	430.47	3.52	-66.41
CC[N@H+](C)CCC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545373	0	54	0.0	-70.41	425.65	3.23	-67.18
CC[N@@H+](C)CCC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545373	1	54	0.0	-70.55	425.65	3.23	-67.32
CC1CCC[N@@H+]1CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545383	0	55	0.0	-64.38	424.22	3.40	-60.98
CC1CCC[N@H+]1CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545383	1	55	0.0	-64.86	424.18	3.44	-61.42
CC1CC[N@H+](CC(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025545384	0	55	0.0	-66.75	431.66	3.82	-62.93
CC1CC[N@@H+](CC(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025545384	1	55	0.0	-67.29	431.59	3.76	-63.53
CC[C@@H](C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025545386	0	54	0.0	-63.57	415.91	3.06	-60.51
C[NH+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545422	0	48	0.0	-68.36	385.69	2.11	-66.25
CN1C=C[N+](CC(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025545423	0	50	0.0	-65.05	416.92	5.62	-59.43
C[N@@H+]1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025545426	0	55	0.0	-64.46	423.92	3.92	-60.54
C[N@H+]1CCCC(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025545426	1	55	0.0	-68.96	430.09	3.71	-65.25
CC(C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025545433	1	52	0.0	-65.62	413.40	3.12	-62.50
C[NH+](C)CC(C)(C)C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545436	0	57	0.0	-70.37	435.76	3.74	-66.63
C[N@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025545443	0	52	0.0	-65.27	415.02	3.50	-61.77
C[N@@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025545443	1	52	0.0	-65.10	415.14	3.51	-61.59
C[NH+]1CC(CC(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025545454	0	52	0.0	-69.19	416.65	2.74	-66.45
C[C@@H](C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025545466	0	51	0.0	-65.48	403.16	2.39	-63.09
C[C@@]1(CNC(=O)CN=[N+]=[N-])CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025545473	0	42	0.0	-24.81	362.52	-2.39	-27.20
C[C@@H](C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025545504	0	51	0.0	-65.48	403.16	2.39	-63.09
C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545507	0	55	0.0	-68.40	417.91	3.45	-64.95
C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545507	1	55	0.0	-67.98	427.47	3.57	-64.41
C[N@@H+]1CCC(=CC(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025545543	0	53	0.0	-73.18	423.43	3.64	-69.54
C[N@H+]1CCC(=CC(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025545543	1	53	0.0	-73.14	423.51	3.68	-69.46
C[C@H](C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025545561	0	51	0.0	-69.57	403.15	2.37	-67.20
CC1C[NH+](CC(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025545577	1	52	0.0	-68.44	416.48	3.07	-65.37
C[N@H+](CCO)CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545590	1	52	0.0	-67.56	413.51	-0.51	-68.07
C[N@@H+](CCO)CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545590	1	52	0.0	-69.01	413.65	-0.48	-69.49
CC(CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025545602	0	57	0.0	-70.91	442.87	4.11	-66.80
CC[N@H+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545604	0	51	0.0	-67.87	403.24	2.66	-65.21
CC[N@@H+](C)CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545604	1	51	0.0	-67.70	403.24	2.66	-65.04
CC[N@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025545614	0	55	0.0	-65.90	434.46	4.06	-61.84
CC[N@@H+](CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025545614	1	55	0.0	-65.92	427.14	4.00	-61.92
CC[NH+](CC)CCC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545620	0	57	0.0	-70.28	442.99	3.89	-66.39
C[NH+](C)CC=CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545635	0	52	0.0	-71.82	422.78	3.33	-68.49
CC(CCC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025545652	0	57	0.0	-70.70	442.36	3.78	-66.92
CC[N@@H+]1CCC1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545656	1	52	0.0	-67.31	417.15	3.07	-64.24
CC[N@H+]1CCC1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545656	1	52	0.0	-65.15	409.74	2.66	-62.49
C=CCC(C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025545677	0	55	0.0	-69.56	433.21	3.76	-65.80
C[C@@]1(CNC(=O)C[NH+]2CC3CC3C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545685	0	53	0.0	-67.74	420.53	3.82	-63.92
CCCC(C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025545690	0	57	0.0	-65.01	440.07	4.02	-60.99
C[NH+](C)C(C)(C)C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545692	0	54	0.0	-59.77	405.39	3.55	-56.22
C[N@@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545702	0	55	0.0	-61.98	427.42	3.65	-58.33
C[N@H+]1CCCCC1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545702	1	55	0.0	-68.28	427.34	3.61	-64.67
C[NH+](C)C1(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025545738	0	52	0.0	-56.86	401.71	3.92	-52.94
C[C@@]1(CNC(=O)CC[NH+]2CCCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545739	0	55	0.0	-69.60	433.76	3.79	-65.81
C[N@@H+]1CC2CC1(C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025545749	0	53	0.0	-74.76	417.86	3.19	-71.57
C[N@H+]1CC2CC1(C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025545749	1	53	0.0	-54.25	399.85	3.75	-50.50
CC(C[NH+](C)C)C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545784	0	54	0.0	-70.65	423.96	3.35	-67.30
CC(C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025545804	1	55	0.0	-66.14	434.32	3.74	-62.40
CC1CC[N@@H+]1CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545805	1	52	0.0	-66.03	411.37	2.92	-63.11
CC1CC[N@H+]1CC(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545805	1	52	0.0	-66.09	416.88	3.09	-63.00
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025545836	0	55	0.0	-73.57	435.05	3.79	-69.78
CC(CC[NH+](C)C)C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545837	0	57	0.0	-71.46	445.60	3.98	-67.48
C[N@@H+]1CCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546006	0	52	0.0	-65.59	403.71	2.27	-63.32
C[N@H+]1CCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546006	1	52	0.0	-65.30	408.11	2.83	-62.47
C[N@@H+]1CCC(CC(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025546180	0	55	0.0	-69.28	432.29	3.65	-65.63
C[N@H+]1CCC(CC(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025546180	1	55	0.0	-71.46	432.27	3.69	-67.77
CCC(C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025546183	0	54	0.0	-63.69	409.54	3.42	-60.27
C[NH+](C)CCCCC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546192	0	57	0.0	-71.33	450.79	4.17	-67.16
CCC[N@H+](C)CCC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546195	0	57	0.0	-71.07	447.09	4.00	-67.07
CCC[N@@H+](C)CCC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546195	1	57	0.0	-71.96	447.20	4.04	-67.92
CCC[N@H+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546196	0	54	0.0	-68.42	424.74	3.36	-65.06
CCC[N@@H+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546196	1	54	0.0	-68.61	424.87	3.41	-65.20
C[NH+](C)CC1(C(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025546226	0	55	0.0	-73.67	428.80	4.07	-69.60
CC[N@H+](C)CCC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546231	0	54	0.0	-70.45	425.50	3.27	-67.18
CC[N@@H+](C)CCC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546231	1	54	0.0	-71.19	425.73	3.30	-67.89
C[NH+]1CCC(C(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025546246	0	55	0.0	-72.25	426.01	3.44	-68.81
CC1CCC[N@@H+]1CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546284	0	55	0.0	-65.54	430.69	3.81	-61.73
CC1CCC[N@H+]1CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546284	1	55	0.0	-66.89	430.76	3.81	-63.08
CC1CC[N@H+](CC(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025546299	0	55	0.0	-68.85	430.90	3.78	-65.07
CC1CC[N@@H+](CC(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025546299	1	55	0.0	-67.80	430.98	3.75	-64.05
CC[C@@H](C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025546301	0	54	0.0	-66.18	411.94	2.67	-63.51
CC1=[NH+]C=CN1CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546335	1	50	0.0	-64.02	414.90	3.65	-60.37
CC1=C[NH+]=CN1CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546350	1	50	0.0	-69.57	415.27	4.38	-65.19
C[C@@H]1[C@H](C(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025546351	0	55	0.0	-75.09	421.23	2.88	-72.21
C[C@@H]1[C@H](C(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025546351	1	55	0.0	-74.34	427.88	3.27	-71.07
C[N@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025546374	0	55	0.0	-66.73	431.96	4.01	-62.72
C[N@@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025546374	1	55	0.0	-67.88	431.69	3.99	-63.89
C[NH+]1CCC(C(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025546380	0	55	0.0	-72.25	426.01	3.44	-68.81
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546390	0	52	0.0	-66.39	403.56	2.46	-63.93
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546390	1	52	0.0	-65.12	407.22	2.90	-62.22
CC1C(C(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025546450	0	55	0.0	-70.29	422.35	3.00	-67.29
CC1C(C(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025546450	1	55	0.0	-67.24	423.93	3.03	-64.21
C[C@@H](C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025546484	0	51	0.0	-68.17	401.84	2.32	-65.85
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)CC[NH+]1CCCC1	REAL300025546502	0	55	0.0	-69.81	432.79	3.71	-66.10
C[N@H+](CCO)CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546507	1	52	0.0	-69.91	413.57	-0.56	-70.47
C[N@@H+](CCO)CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546507	1	52	0.0	-68.61	413.34	-0.78	-69.39
CC1C[NH+](CC(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025546546	1	52	0.0	-69.49	417.01	3.12	-66.37
CC[N@H+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546571	0	51	0.0	-68.12	403.12	2.67	-65.45
CC[N@@H+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546571	1	51	0.0	-69.03	403.41	2.71	-66.32
CC(CCC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025546616	0	57	0.0	-75.53	438.78	3.74	-71.79
CC[N@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025546620	0	55	0.0	-66.41	426.63	3.61	-62.80
CC[N@@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025546620	1	55	0.0	-65.83	427.89	3.76	-62.07
CC(C[NH+](C)C)C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546639	0	54	0.0	-67.58	417.14	3.50	-64.08
C[C@H](C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025546651	0	51	0.0	-63.96	398.66	2.81	-61.15
CC[N@@H+]1CCC1C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546654	0	52	0.0	-69.34	416.76	2.94	-66.40
CC[N@H+]1CCC1C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546654	1	52	0.0	-67.72	407.83	2.63	-65.09
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=C[NH+]=CC=C1N	REAL300025546664	0	48	0.0	-69.49	388.58	0.39	-69.10
CCCC(C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025546668	0	57	0.0	-67.09	437.00	3.75	-63.34
CC(CC[NH+](C)C)C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546678	0	57	0.0	-70.55	440.82	3.55	-67.00
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CC2CC2C1	REAL300025546734	0	53	0.0	-68.47	420.50	3.84	-64.63
C[N@@H+]1CCCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546741	0	55	0.0	-65.36	413.62	3.70	-61.66
C[N@H+]1CCCCC1C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546741	1	55	0.0	-61.78	421.85	3.99	-57.79
C[N@@H+]1CCC(=CC(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025546760	0	53	0.0	-72.04	422.26	3.51	-68.53
C[N@H+]1CCC(=CC(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025546760	1	53	0.0	-71.91	423.49	3.58	-68.33
C[C@@]1(CNC(=O)CSC2=NC(=O)NN2)CCCN1C(=O)CN=[N+]=[N-]	REAL300025546765	0	42	0.0	-24.52	362.44	-2.36	-26.88
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546778	0	52	0.0	-66.03	409.05	2.94	-63.09
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546778	1	52	0.0	-70.72	403.62	2.45	-68.27
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025546814	0	55	0.0	-65.97	434.73	3.76	-62.21
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CCCCC1	REAL300025546848	0	55	0.0	-68.17	427.15	3.79	-64.38
C[N@@H+]1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025546849	0	55	0.0	-60.07	419.16	3.44	-56.63
C[N@H+]1CCCC(C(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025546849	1	55	0.0	-59.98	416.03	4.12	-55.86
CN1C=C[N+](CC(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025546850	0	50	0.0	-64.89	416.72	5.54	-59.35
C[N@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025546859	0	52	0.0	-65.12	414.73	3.43	-61.69
C[N@@H+](CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025546859	1	52	0.0	-67.15	415.01	3.45	-63.70
CC(CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025546867	0	57	0.0	-71.24	442.67	3.97	-67.27
C[NH+]1CC(CC(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025546907	0	52	0.0	-70.72	416.75	2.87	-67.85
C[NH+](C)CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546914	0	48	0.0	-68.85	385.43	1.93	-66.92
C[C@@H](C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025546922	0	51	0.0	-68.17	401.84	2.32	-65.85
CC(C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025546932	0	55	0.0	-63.88	427.44	3.92	-59.96
CC1CC[N@@H+]1CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546933	0	52	0.0	-66.30	411.29	2.76	-63.54
CC1CC[N@H+]1CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546933	1	52	0.0	-66.60	411.28	2.76	-63.84
C[NH+](C)CC=CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546934	0	52	0.0	-73.86	420.82	3.24	-70.62
CC1(C)C[NH+](CC(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025546937	1	55	0.0	-68.96	436.09	3.57	-65.39
CC[NH+](CC)CC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546950	0	54	0.0	-67.37	416.21	2.99	-64.38
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C[NH+]1CCC1	REAL300025546955	1	49	0.0	-68.87	395.78	2.50	-66.37
CC[NH+](CC)CCC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025546969	0	57	0.0	-70.50	442.86	3.94	-66.56
CC(C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025546990	0	52	0.0	-63.48	406.51	3.29	-60.19
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025547008	0	55	0.0	-63.75	413.94	3.58	-60.17
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025547008	1	55	0.0	-61.76	421.84	4.00	-57.76
C=CCC(C(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025547024	0	55	0.0	-66.07	428.77	3.46	-62.61
C[C@@]1(CNC(=O)CSC(N)=[NH2+])CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025547044	0	46	0.0	-70.50	393.61	-0.94	-71.44
CCC1C[NH+](CC(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025547099	1	55	0.0	-69.29	437.93	3.80	-65.49
C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025547103	0	52	0.0	-64.15	411.54	3.05	-61.10
C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025547103	1	52	0.0	-65.00	405.29	2.42	-62.58
C[C@@]1(CNC(=O)C[NH+]2CCCCC2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025547110	0	55	0.0	-67.64	427.23	3.86	-63.78
CC1C(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C	REAL300025547114	0	55	0.0	-70.36	431.52	3.63	-66.73
CC1C(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C	REAL300025547114	1	55	0.0	-73.67	423.01	3.23	-70.44
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C	REAL300025547253	0	53	0.0	-71.34	405.91	1.68	-69.66
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C	REAL300025547253	1	53	0.0	-66.88	406.03	1.62	-65.26
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300025547346	0	53	0.0	-65.76	410.82	1.95	-63.81
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL300025547346	1	53	0.0	-68.01	406.23	1.68	-66.33
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300025547421	0	49	0.0	-69.62	387.37	1.12	-68.50
CC(C(=O)N(C)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025547425	1	53	0.0	-65.84	412.66	1.96	-63.88
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300025547430	0	53	0.0	-67.38	414.66	2.39	-64.99
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300025547430	1	53	0.0	-66.10	416.63	2.53	-63.57
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300025547435	0	53	0.0	-70.64	418.81	2.00	-68.64
C[C@@H](C(=O)N(C)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025547442	0	52	0.0	-69.47	402.50	1.50	-67.97
CN(CC1COCCN1C(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300025547445	0	43	0.0	-23.50	364.24	-3.27	-26.77
C[C@@H](C(=O)N(C)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025547462	0	52	0.0	-69.47	402.50	1.50	-67.97
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300025547474	1	50	0.0	-69.79	397.15	1.58	-68.21
C[C@H](C(=O)N(C)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025547482	0	52	0.0	-68.18	404.26	1.56	-66.62
CC1C[NH+](CC(=O)N(C)CC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025547488	1	53	0.0	-69.68	417.46	2.29	-67.39
CC[N@H+](C)CC(=O)N(C)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025547503	0	52	0.0	-68.87	404.94	1.79	-67.08
CC[N@@H+](C)CC(=O)N(C)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025547503	1	52	0.0	-69.55	403.31	1.69	-67.86
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300025547518	0	53	0.0	-74.66	422.61	2.37	-72.29
CC[N@@H+]1CCC1C(=O)N(C)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025547522	1	53	0.0	-69.64	418.01	2.09	-67.55
CC[N@H+]1CCC1C(=O)N(C)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025547522	1	53	0.0	-67.27	410.46	1.79	-65.48
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1([NH+](C)C)CC1	REAL300025547551	0	53	0.0	-71.30	407.07	1.62	-69.68
CC1CC[N@@H+]1CC(=O)N(C)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025547574	1	53	0.0	-68.66	417.28	2.15	-66.51
CC1CC[N@H+]1CC(=O)N(C)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025547574	1	53	0.0	-67.18	411.55	1.92	-65.26
CN(CC1COCCN1C(=O)C1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547674	0	53	0.0	-71.03	410.02	2.05	-68.98
CN(CC1COCCN1C(=O)C1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547674	1	53	0.0	-71.07	410.19	1.95	-69.12
CN(CC1COCCN1C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547802	0	53	0.0	-71.14	409.97	2.05	-69.09
CN(CC1COCCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547802	1	53	0.0	-72.04	404.40	1.49	-70.55
C[C@@H](C(=O)N1CCOCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025547844	0	52	0.0	-71.79	402.57	1.49	-70.30
CC1C[NH+](CC(=O)N2CCOCC2CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025547865	1	53	0.0	-75.32	418.44	2.23	-73.09
CC[N@H+](C)CC(=O)N1CCOCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547880	0	52	0.0	-75.20	405.38	1.81	-73.39
CC[N@@H+](C)CC(=O)N1CCOCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547880	1	52	0.0	-75.08	405.09	1.80	-73.28
C[C@H](C(=O)N1CCOCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025547903	0	52	0.0	-73.20	404.53	1.52	-71.68
CC[N@@H+]1CCC1C(=O)N1CCOCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547905	1	53	0.0	-71.74	410.67	1.90	-69.84
CC[N@H+]1CCC1C(=O)N1CCOCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547905	1	53	0.0	-75.01	417.87	2.03	-72.98
CN(CC1COCCN1C(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300025547944	0	43	0.0	-23.06	364.14	-3.27	-26.33
CN(CC1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547952	0	53	0.0	-69.57	405.82	1.64	-67.93
CN(CC1COCCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547952	1	53	0.0	-71.63	411.30	2.04	-69.59
CN(CC1COCCN1C(=O)C[N@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547978	0	53	0.0	-72.86	416.69	2.55	-70.31
CN(CC1COCCN1C(=O)C[N@@H+](C)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547978	1	53	0.0	-72.49	416.62	2.51	-69.98
CN(CC1COCCN1C(=O)CC1C[NH+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547997	0	53	0.0	-77.09	418.08	1.98	-75.11
CN(CC1COCCN1C(=O)C[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025548000	0	49	0.0	-76.01	387.66	1.14	-74.87
C[C@@H](C(=O)N1CCOCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025548003	0	52	0.0	-71.79	402.57	1.49	-70.30
CC1CC[N@@H+]1CC(=O)N1CCOCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025548008	1	53	0.0	-72.65	411.45	1.80	-70.85
CC1CC[N@H+]1CC(=O)N1CCOCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025548008	1	53	0.0	-74.54	416.59	2.07	-72.47
CN(CC1COCCN1C(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025548009	0	53	0.0	-78.29	423.36	2.37	-75.92
CN(CC1COCCN1C(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025548015	1	50	0.0	-75.84	394.16	1.34	-74.50
CC(C(=O)N1CCOCC1CN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025548028	1	53	0.0	-71.40	412.08	2.02	-69.38
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300025548075	0	53	0.0	-70.03	406.80	1.68	-68.35
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300025548075	1	53	0.0	-65.82	409.25	1.96	-63.86
C[N@@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548198	0	53	0.0	-77.53	417.23	2.39	-75.14
C[N@H+]1CCCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548198	1	53	0.0	-74.66	423.51	2.91	-71.75
CCC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2)[NH+](C)C	REAL300025548301	0	55	0.0	-74.97	427.78	2.87	-72.10
CCC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548306	0	55	0.0	-78.11	436.34	3.30	-74.81
CCC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548306	1	55	0.0	-78.08	436.34	3.29	-74.79
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548314	0	53	0.0	-76.91	417.09	2.43	-74.48
C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548314	1	53	0.0	-74.55	423.63	2.91	-71.64
CC[NH+](CC)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548319	0	55	0.0	-76.08	433.22	3.25	-72.83
CC[N@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548377	0	55	0.0	-78.93	437.19	3.10	-75.83
CC[N@@H+](C)CCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548377	1	55	0.0	-78.91	437.22	3.09	-75.82
CC[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2)[NH+](C)C	REAL300025548380	0	55	0.0	-74.61	427.76	2.88	-71.73
C[NH+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548398	0	49	0.0	-78.22	397.12	1.88	-76.34
CC(C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2)[NH+]1CCC1	REAL300025548402	1	53	0.0	-76.30	427.11	2.82	-73.48
C[N@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2)C1CC1	REAL300025548409	0	53	0.0	-74.98	426.39	3.29	-71.69
C[N@@H+](CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2)C1CC1	REAL300025548409	1	53	0.0	-75.03	426.36	3.29	-71.74
C[NH+]1CC(CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C23CC3)C1	REAL300025548415	0	53	0.0	-78.09	428.56	2.71	-75.38
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2)[NH+](C)C	REAL300025548422	0	52	0.0	-76.13	415.21	2.28	-73.85
[N-]=[N+]=NCC(=O)NCC1CCN(C(=O)CSC2=NC(=O)NN2)C12CC2	REAL300025548425	0	43	0.0	-26.11	374.06	-2.51	-28.62
C[C@@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2)[NH+](C)C	REAL300025548444	0	52	0.0	-76.13	415.21	2.28	-73.85
O=C(C[NH+]1CCC1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548462	1	50	0.0	-77.99	407.27	2.31	-75.68
C[C@H](C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2)[NH+](C)C	REAL300025548473	0	52	0.0	-76.48	415.24	2.30	-74.18
CC1C[NH+](CC(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C23CC3)C1	REAL300025548480	1	53	0.0	-78.57	427.25	3.04	-75.53
C[N@H+](CCO)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548491	1	53	0.0	-78.49	425.19	-0.68	-79.17
C[N@@H+](CCO)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548491	1	53	0.0	-78.45	424.97	-0.69	-79.14
CC[N@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548498	0	52	0.0	-77.66	414.84	2.56	-75.10
CC[N@@H+](C)CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548498	1	52	0.0	-77.67	414.84	2.55	-75.12
C[NH+](C)CC=CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548516	0	53	0.0	-81.16	433.08	3.09	-78.07
CC[N@@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548522	1	53	0.0	-75.61	421.65	2.54	-73.07
CC[N@H+]1CCC1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548522	1	53	0.0	-77.00	428.84	2.86	-74.14
C[NH+](C)C(C)(C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548536	0	55	0.0	-82.25	424.36	3.07	-79.18
C[NH+](C)C1(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C23CC3)CC1	REAL300025548559	0	53	0.0	-82.31	420.25	3.11	-79.20
CC(C[NH+](C)C)C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548581	0	55	0.0	-78.38	435.52	3.15	-75.23
CC1CC[N@@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548592	1	53	0.0	-75.66	423.03	2.66	-73.00
CC1CC[N@H+]1CC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548592	1	53	0.0	-76.79	428.44	2.96	-73.83
C[N@@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548707	0	53	0.0	-71.65	415.74	2.29	-69.36
C[N@H+]1CCCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548707	1	53	0.0	-69.94	420.67	2.60	-67.34
CCC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2)[NH+](C)C	REAL300025548781	0	55	0.0	-72.32	426.06	2.87	-69.45
CCC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548784	0	55	0.0	-73.67	436.52	3.23	-70.44
CCC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548784	1	55	0.0	-73.51	436.51	3.23	-70.28
CC[N@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548800	0	55	0.0	-75.58	437.22	3.08	-72.50
CC[N@@H+](C)CCC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548800	1	55	0.0	-75.70	437.21	3.07	-72.63
CC[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2)[NH+](C)C	REAL300025548826	0	55	0.0	-69.73	424.03	2.70	-67.03
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548863	0	53	0.0	-72.84	415.84	2.29	-70.55
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548863	1	53	0.0	-70.61	417.82	2.64	-67.97
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2)[NH+](C)C	REAL300025548908	0	52	0.0	-71.60	413.73	2.19	-69.41
C[N@H+](CCO)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548918	1	53	0.0	-74.01	425.36	-0.76	-74.77
C[N@@H+](CCO)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548918	1	53	0.0	-74.02	425.15	-0.77	-74.79
CC1C[NH+](CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C23CC3)C1	REAL300025548934	1	53	0.0	-74.32	427.31	2.94	-71.38
CC[N@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548950	0	52	0.0	-73.21	415.02	2.48	-70.73
CC[N@@H+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548950	1	52	0.0	-73.17	415.01	2.48	-70.69
CC(C[NH+](C)C)C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548977	0	55	0.0	-75.34	431.36	2.78	-72.56
C[C@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2)[NH+](C)C	REAL300025548981	0	52	0.0	-72.42	413.54	2.14	-70.28
CC[N@@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548984	0	53	0.0	-70.92	420.63	2.48	-68.44
CC[N@H+]1CCC1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025548984	1	53	0.0	-73.09	428.58	2.78	-70.31
[N-]=[N+]=NCC(=O)N1CCC(CNC(=O)CSC2=NC(=O)NN2)C12CC2	REAL300025549034	0	43	0.0	-26.48	374.25	-2.58	-29.06
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025549043	0	53	0.0	-70.69	418.37	2.64	-68.05
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025549043	1	53	0.0	-71.68	415.63	2.34	-69.34
C[N@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2)C1CC1	REAL300025549073	0	53	0.0	-70.47	426.35	3.25	-67.22
C[N@@H+](CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2)C1CC1	REAL300025549073	1	53	0.0	-70.97	426.51	3.25	-67.72
C[NH+]1CC(CC(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C23CC3)C1	REAL300025549097	0	53	0.0	-75.29	428.48	2.69	-72.60
C[NH+](C)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025549100	0	49	0.0	-74.00	397.28	1.81	-72.19
C[C@@H](C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2)[NH+](C)C	REAL300025549103	0	52	0.0	-71.60	413.73	2.19	-69.41
CC1CC[N@@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025549110	0	53	0.0	-71.49	422.88	2.65	-68.84
CC1CC[N@H+]1CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025549110	1	53	0.0	-71.42	423.06	2.59	-68.83
C[NH+](C)CC=CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025549111	0	53	0.0	-78.31	432.15	3.04	-75.27
CC[NH+](CC)CC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025549117	0	55	0.0	-71.67	428.87	2.87	-68.80
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C[NH+]2CCC2)C12CC2	REAL300025549118	1	50	0.0	-73.94	407.52	2.26	-71.68
CC(C(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C12CC2)[NH+]1CCC1	REAL300025549136	0	53	0.0	-71.14	420.97	2.60	-68.54
NC(=[NH2+])SCC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025549167	0	47	0.0	-79.78	405.04	-1.17	-80.95
C[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025549199	0	53	0.0	-74.13	422.89	2.80	-71.33
C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CC2	REAL300025549199	1	53	0.0	-77.47	417.10	2.43	-75.04
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C[NH+](C)C)C1=CC=CC=C1	REAL300025549264	0	51	0.0	-64.43	419.77	4.18	-60.25
CN(C(=O)CSC1=NC(=O)NN1)C(CNC(=O)CN=[N+]=[N-])C1=CC=CC=C1	REAL300025549269	0	45	0.0	-22.05	396.73	-0.21	-22.26
CN(C(=O)CN=[N+]=[N-])C(CNC(=O)CSC1=NC(=O)NN1)C1=CC=CC=C1	REAL300025549334	0	45	0.0	-22.55	396.84	-0.24	-22.79
CN(C(=O)C[NH+](C)C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300025549343	0	51	0.0	-69.31	416.39	3.38	-65.93
C[N@@H+]1CCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549457	0	53	0.0	-66.55	399.78	3.21	-63.34
C[N@H+]1CCCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549457	1	53	0.0	-61.30	402.08	3.04	-58.26
CCC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025549560	0	55	0.0	-64.97	411.61	3.82	-61.15
CCC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549565	0	55	0.0	-65.06	422.23	3.93	-61.13
CCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549565	1	55	0.0	-65.01	422.07	3.93	-61.08
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549573	0	53	0.0	-65.57	402.46	3.03	-62.54
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549573	1	53	0.0	-63.07	404.76	3.64	-59.43
CC[NH+](CC)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549578	0	55	0.0	-63.66	417.83	4.15	-59.51
CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549636	0	55	0.0	-67.04	422.95	3.80	-63.24
CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549636	1	55	0.0	-67.35	422.95	3.78	-63.57
CC[C@@H](C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025549639	0	55	0.0	-61.13	408.67	3.58	-57.55
C[NH+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549657	0	49	0.0	-66.00	381.73	2.79	-63.21
CC(C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300025549661	1	53	0.0	-62.74	408.45	3.64	-59.10
C[N@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025549668	0	53	0.0	-62.76	411.00	4.19	-58.57
C[N@@H+](CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300025549668	1	53	0.0	-62.87	411.15	4.19	-58.68
C[NH+]1CC(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025549674	0	53	0.0	-66.99	412.84	3.69	-63.30
C[C@@H](C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025549681	0	52	0.0	-63.35	397.09	3.14	-60.21
[N-]=[N+]=NCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NC(=O)NN2)C1	REAL300025549684	0	43	0.0	-21.09	358.49	-1.61	-22.70
C[C@@H](C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025549703	0	52	0.0	-63.35	397.09	3.14	-60.21
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CN(C(=O)C[NH+]3CCC3)CC[C@@H]21	REAL300025549721	1	50	0.0	-65.64	392.94	2.94	-62.70
C[C@H](C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300025549732	0	52	0.0	-64.34	395.56	2.98	-61.36
CC1C[NH+](CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300025549739	1	53	0.0	-65.11	412.97	3.67	-61.44
C[N@H+](CCO)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549750	1	53	0.0	-65.05	410.93	-0.04	-65.09
C[N@@H+](CCO)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549750	1	53	0.0	-65.45	411.09	-0.04	-65.49
CC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549757	0	52	0.0	-64.70	400.74	3.19	-61.51
CC[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549757	1	52	0.0	-64.76	400.57	3.19	-61.57
C[NH+](C)CC=CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549775	0	53	0.0	-70.52	417.84	4.05	-66.47
CC[N@@H+]1CCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549781	1	53	0.0	-64.39	412.67	3.72	-60.67
CC[N@H+]1CCC1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549781	1	53	0.0	-63.86	412.77	3.76	-60.10
C[NH+](C)C(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549795	0	55	0.0	-60.96	400.88	3.22	-57.74
C[NH+](C)C1(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300025549818	0	53	0.0	-66.80	399.67	3.19	-63.61
CC(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549840	0	55	0.0	-67.86	418.49	3.56	-64.30
CC1CC[N@@H+]1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549851	1	53	0.0	-64.44	414.17	3.60	-60.84
CC1CC[N@H+]1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025549851	1	53	0.0	-63.05	407.63	3.60	-59.45
C[N@@H+]1CCCC1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025549966	0	53	0.0	-70.85	400.46	3.33	-67.52
C[N@H+]1CCCC1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025549966	1	53	0.0	-69.29	395.37	3.20	-66.09
CCC(C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21)[NH+](C)C	REAL300025550040	0	55	0.0	-69.68	412.72	3.93	-65.75
CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550043	0	55	0.0	-71.48	420.75	4.28	-67.20
CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550043	1	55	0.0	-71.37	420.75	4.26	-67.11
CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550059	0	55	0.0	-72.50	422.01	4.09	-68.41
CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550059	1	55	0.0	-72.55	422.01	4.09	-68.46
CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21)[NH+](C)C	REAL300025550085	0	55	0.0	-69.34	411.13	3.88	-65.46
C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550122	0	53	0.0	-70.86	400.54	3.33	-67.53
C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550122	1	53	0.0	-68.47	404.27	3.69	-64.78
C[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21)[NH+](C)C	REAL300025550167	0	52	0.0	-69.54	398.55	3.20	-66.34
C[N@H+](CCO)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550177	1	53	0.0	-71.56	409.60	0.29	-71.27
C[N@@H+](CCO)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550177	1	53	0.0	-71.87	409.74	0.28	-71.59
CC1C[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)CC[C@@H]32)C1	REAL300025550193	1	53	0.0	-69.80	413.91	3.61	-66.19
CC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550209	0	52	0.0	-71.14	399.60	3.51	-67.63
CC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550209	1	52	0.0	-71.12	399.25	3.52	-67.60
CC(C[NH+](C)C)C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550236	0	55	0.0	-72.21	416.49	3.88	-68.33
C[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21)[NH+](C)C	REAL300025550240	0	52	0.0	-70.13	397.69	3.16	-66.97
CC[N@@H+]1CCC1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550243	1	53	0.0	-67.64	400.92	3.28	-64.36
CC[N@H+]1CCC1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550243	1	53	0.0	-66.91	404.21	3.28	-63.63
[N-]=[N+]=NCC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NC(=O)NN3)CC[C@@H]21	REAL300025550293	0	43	0.0	-21.71	358.48	-1.53	-23.24
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550302	0	53	0.0	-67.43	402.85	3.64	-63.79
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550302	1	53	0.0	-69.45	395.65	3.19	-66.26
C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21)C1CC1	REAL300025550332	0	53	0.0	-68.49	410.79	4.29	-64.20
C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21)C1CC1	REAL300025550332	1	53	0.0	-68.93	410.92	4.29	-64.64
C[NH+]1CC(CC(=O)N2CC[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)CC[C@@H]32)C1	REAL300025550356	0	53	0.0	-71.05	413.21	3.74	-67.31
C[NH+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550359	0	49	0.0	-71.81	381.86	2.84	-68.97
C[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21)[NH+](C)C	REAL300025550362	0	52	0.0	-69.54	398.55	3.20	-66.34
CC1CC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550369	1	53	0.0	-69.09	407.24	3.70	-65.39
CC1CC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550369	1	53	0.0	-69.04	407.33	3.70	-65.34
C[NH+](C)CC=CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550370	0	53	0.0	-72.54	417.32	3.94	-68.60
CC[NH+](CC)CC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550376	0	55	0.0	-67.63	412.79	3.79	-63.84
O=C(C[NH+]1CCC1)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300025550377	1	50	0.0	-71.51	391.53	3.30	-68.21
CC(C(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21)[NH+]1CCC1	REAL300025550395	1	53	0.0	-69.58	408.28	3.72	-65.86
NC(=[NH2+])SCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025550426	0	47	0.0	-66.63	389.65	-0.18	-66.81
C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025550458	0	53	0.0	-73.09	406.22	3.33	-69.76
C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025550458	1	53	0.0	-61.21	402.34	3.05	-58.16